==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-09 3A9B . COMPND 2 MOLECULE: CELLOBIOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COPRINOPSIS CINEREA; . AUTHOR Y.LIU,M.YOSHIDA,Y.KURAKATA,T.MIYAZAKI,A.NISHIKAWA,T.TONOZUKA . 374 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.6 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 . 21 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 3 1 1 0 0 2 0 1 0 0 0 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 12 A S 0 0 128 0, 0.0 2,-0.3 0, 0.0 216,-0.0 0.000 360.0 360.0 360.0 128.5 14.4 8.9 -12.4 2 13 A V - 0 0 115 4,-0.0 3,-0.0 2,-0.0 216,-0.0 -0.823 360.0 -87.6-122.4 155.9 14.1 11.2 -9.4 3 14 A N > - 0 0 28 -2,-0.3 3,-1.4 1,-0.2 307,-0.0 -0.529 38.1-163.6 -62.4 102.5 12.3 10.8 -6.0 4 15 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.617 80.3 66.4 -69.6 -13.8 8.9 12.2 -6.9 5 16 A Y T > S+ 0 0 9 2,-0.1 3,-1.4 294,-0.0 2,-0.2 0.721 72.7 106.2 -77.8 -21.6 8.0 12.7 -3.3 6 17 A I T < S- 0 0 95 -3,-1.4 3,-0.1 1,-0.3 306,-0.0 -0.411 99.5 -4.8 -69.2 125.8 10.6 15.4 -2.6 7 18 A G T 3 S+ 0 0 51 1,-0.3 70,-0.4 -2,-0.2 -1,-0.3 0.318 108.5 121.9 78.7 -9.0 8.9 18.8 -2.3 8 19 A R < - 0 0 70 -3,-1.4 -1,-0.3 68,-0.1 70,-0.2 -0.477 58.7-138.1 -87.2 157.8 5.5 17.3 -3.2 9 20 A S E -a 78 0A 33 68,-3.0 70,-1.9 -2,-0.1 3,-0.1 -0.887 20.8-138.6-117.4 97.1 2.3 17.4 -1.2 10 21 A P E -a 79 0A 31 0, 0.0 70,-0.2 0, 0.0 2,-0.2 -0.250 33.7 -99.5 -57.7 141.7 0.5 14.1 -1.3 11 22 A L - 0 0 14 68,-2.6 36,-0.8 35,-0.1 2,-0.4 -0.413 22.9-132.6 -73.2 129.9 -3.2 14.5 -1.7 12 23 A V - 0 0 56 34,-0.2 2,-0.9 -2,-0.2 3,-0.1 -0.700 25.4-128.8 -73.1 127.1 -5.5 14.3 1.3 13 24 A I >> - 0 0 9 -2,-0.4 4,-2.5 32,-0.3 3,-0.7 -0.745 17.1-158.7 -84.4 105.3 -8.4 12.0 0.2 14 25 A K H 3> S+ 0 0 113 -2,-0.9 4,-2.2 1,-0.3 -1,-0.2 0.840 88.5 54.7 -55.2 -42.8 -11.5 14.1 1.1 15 26 A S H 3> S+ 0 0 74 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.839 111.9 45.5 -65.2 -32.6 -13.9 11.1 1.2 16 27 A Y H X> S+ 0 0 7 -3,-0.7 4,-0.9 2,-0.2 3,-0.8 0.930 110.1 53.2 -71.9 -48.0 -11.6 9.4 3.7 17 28 A A H >< S+ 0 0 14 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.875 104.1 57.6 -54.2 -39.0 -11.1 12.6 5.9 18 29 A E H >< S+ 0 0 116 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.845 97.0 61.8 -62.3 -34.2 -14.9 12.9 6.1 19 30 A K H X< S+ 0 0 68 -3,-0.8 3,-1.2 -4,-0.8 4,-0.5 0.821 93.3 65.2 -61.6 -31.7 -15.2 9.4 7.7 20 31 A L T S+ 0 0 111 -3,-1.6 4,-2.5 -4,-0.3 -1,-0.2 0.875 88.8 55.7 -59.7 -33.7 -15.8 13.0 11.7 22 33 A E H <> S+ 0 0 109 -3,-1.2 4,-2.0 -4,-0.3 -1,-0.2 0.885 107.7 47.7 -63.8 -38.1 -17.4 10.0 13.4 23 34 A T H > S+ 0 0 0 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.913 110.5 50.9 -71.2 -43.1 -14.2 9.4 15.3 24 35 A I H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.936 109.9 50.9 -56.4 -46.6 -13.9 13.1 16.3 25 36 A A H X S+ 0 0 53 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.893 107.9 53.1 -62.1 -40.3 -17.5 13.0 17.6 26 37 A Y H X S+ 0 0 89 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.957 111.5 44.7 -56.5 -52.1 -16.8 9.9 19.6 27 38 A F H <>S+ 0 0 2 -4,-2.3 5,-2.6 1,-0.2 3,-0.4 0.901 111.2 53.1 -64.0 -40.2 -13.8 11.6 21.4 28 39 A E H ><5S+ 0 0 92 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.918 107.5 52.1 -58.6 -42.7 -15.7 14.8 22.0 29 40 A A H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 106.2 54.5 -66.7 -24.4 -18.5 12.8 23.6 30 41 A Q T 3<5S- 0 0 121 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.460 117.2-114.6 -82.6 -4.0 -15.9 11.1 25.9 31 42 A G T < 5S+ 0 0 65 -3,-1.6 2,-0.6 -4,-0.3 -3,-0.2 0.849 74.2 137.8 68.8 35.8 -14.7 14.6 27.0 32 43 A D >< + 0 0 46 -5,-2.6 4,-1.7 1,-0.2 -1,-0.2 -0.771 19.8 164.8-118.4 82.5 -11.4 13.8 25.3 33 44 A E H > S+ 0 0 96 -2,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.810 72.8 59.4 -72.0 -30.4 -10.3 16.9 23.5 34 45 A L H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.956 110.0 41.3 -63.8 -49.5 -6.7 15.8 23.0 35 46 A N H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.845 112.5 55.2 -69.9 -30.5 -7.7 12.7 21.0 36 47 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.932 111.3 45.7 -59.2 -44.4 -10.4 14.7 19.2 37 48 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 334,-1.7 0.844 109.7 53.7 -69.2 -34.6 -7.6 17.1 18.1 38 49 A R H X S+ 0 0 51 -4,-2.3 4,-2.0 332,-0.2 -1,-0.2 0.867 106.6 53.0 -65.4 -36.1 -5.3 14.2 17.2 39 50 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.887 104.3 55.3 -68.0 -37.5 -8.0 12.9 15.0 40 51 A R H X S+ 0 0 62 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.914 105.4 53.4 -58.2 -41.1 -8.2 16.3 13.3 41 52 A T H >< S+ 0 0 24 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.943 105.8 53.1 -55.8 -47.5 -4.4 15.8 12.6 42 53 A V H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.877 99.3 62.6 -58.2 -38.3 -5.2 12.5 11.0 43 54 A Q H 3< S+ 0 0 35 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.796 104.1 49.5 -55.9 -29.4 -7.8 14.2 8.7 44 55 A G T << S+ 0 0 49 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.348 88.9 100.3 -91.9 3.7 -4.9 16.2 7.3 45 56 A I S < S- 0 0 26 -3,-2.1 -32,-0.3 -4,-0.2 -34,-0.0 -0.805 76.2-120.7 -93.1 124.9 -2.6 13.2 6.7 46 57 A P + 0 0 16 0, 0.0 269,-0.3 0, 0.0 2,-0.3 -0.320 33.4 178.3 -67.5 147.2 -2.5 12.0 3.1 47 58 A T - 0 0 2 -36,-0.8 34,-0.4 267,-0.1 2,-0.3 -0.824 32.8 -91.9-132.8 170.8 -3.6 8.4 2.2 48 59 A F - 0 0 2 267,-1.2 2,-0.6 268,-0.5 34,-0.2 -0.705 28.5-134.4 -85.8 144.4 -3.9 6.4 -1.0 49 60 A A E -b 82 0A 14 32,-2.7 34,-2.1 -2,-0.3 2,-0.4 -0.867 24.8-140.6 -96.1 124.1 -7.1 6.2 -3.0 50 61 A W E -b 83 0A 45 -2,-0.6 2,-0.7 32,-0.2 34,-0.2 -0.729 15.4-163.9 -92.4 132.0 -7.8 2.6 -4.0 51 62 A I E +b 84 0A 2 32,-3.0 34,-1.9 -2,-0.4 6,-0.0 -0.789 29.7 153.9-109.8 81.6 -9.3 1.7 -7.3 52 63 A S + 0 0 36 -2,-0.7 2,-0.3 32,-0.2 -1,-0.1 0.325 61.9 19.1 -99.6 4.4 -10.3 -1.9 -6.4 53 64 A D S S- 0 0 58 46,-0.1 4,-0.4 -3,-0.1 3,-0.3 -0.954 82.9-102.1-161.1 169.6 -13.2 -2.3 -9.0 54 65 A S S > S+ 0 0 20 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 0.854 114.8 62.7 -69.5 -35.3 -14.4 -0.7 -12.2 55 66 A A G > S+ 0 0 65 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.875 95.1 62.3 -56.9 -35.9 -17.1 1.3 -10.5 56 67 A T G > S+ 0 0 35 -3,-0.3 3,-1.9 1,-0.3 4,-0.4 0.692 81.4 79.4 -70.1 -15.5 -14.5 3.2 -8.5 57 68 A I G X> S+ 0 0 3 -3,-1.5 3,-1.8 -4,-0.4 4,-0.6 0.856 82.6 68.2 -56.2 -32.1 -13.0 4.6 -11.8 58 69 A D G <4 S+ 0 0 115 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.675 93.0 58.0 -60.3 -20.7 -16.0 7.1 -11.6 59 70 A T G <> S+ 0 0 74 -3,-1.9 4,-1.8 -4,-0.2 -1,-0.3 0.615 89.0 77.4 -83.6 -13.8 -14.4 8.7 -8.5 60 71 A I H <> S+ 0 0 1 -3,-1.8 4,-2.7 -4,-0.4 5,-0.2 0.939 90.5 47.0 -69.9 -49.2 -11.1 9.5 -10.3 61 72 A Q H X S+ 0 0 45 -4,-0.6 4,-2.8 1,-0.2 5,-0.2 0.933 113.8 47.9 -63.3 -44.1 -12.1 12.6 -12.3 62 73 A P H > S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.899 111.9 51.6 -59.2 -37.8 -13.9 14.3 -9.4 63 74 A L H X S+ 0 0 24 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.927 111.9 46.6 -58.7 -47.6 -10.8 13.5 -7.2 64 75 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.901 110.2 51.8 -61.6 -45.4 -8.6 15.1 -9.9 65 76 A A H X S+ 0 0 43 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.933 112.6 46.5 -59.2 -44.5 -10.8 18.2 -10.3 66 77 A D H X S+ 0 0 74 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.888 111.5 52.3 -61.0 -43.5 -10.6 18.7 -6.5 67 78 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.898 109.4 48.0 -62.2 -44.1 -6.9 18.1 -6.5 68 79 A V H X S+ 0 0 11 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.925 111.3 50.8 -62.3 -45.0 -6.4 20.8 -9.2 69 80 A A H X S+ 0 0 60 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.923 112.2 47.7 -59.1 -42.6 -8.6 23.2 -7.3 70 81 A H H X S+ 0 0 80 -4,-2.5 4,-3.1 2,-0.2 6,-0.4 0.907 110.3 51.4 -63.7 -43.2 -6.5 22.5 -4.2 71 82 A Q H X S+ 0 0 36 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.925 112.7 46.4 -58.8 -45.5 -3.2 23.0 -6.2 72 83 A E H < S+ 0 0 134 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.926 117.3 43.4 -61.5 -46.5 -4.5 26.3 -7.5 73 84 A A H < S+ 0 0 89 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.910 124.8 31.9 -66.5 -44.8 -5.6 27.5 -4.1 74 85 A S H < S- 0 0 52 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.706 91.1-131.2 -90.8 -25.6 -2.6 26.3 -2.1 75 86 A G < + 0 0 67 -4,-2.2 -4,-0.1 -5,-0.3 -3,-0.1 0.558 60.3 140.2 76.8 8.3 0.4 26.6 -4.5 76 87 A E - 0 0 76 -6,-0.4 2,-1.0 -5,-0.2 -1,-0.2 -0.317 64.1-117.2 -74.9 161.3 1.4 23.0 -3.6 77 88 A Q - 0 0 97 -70,-0.4 -68,-3.0 -3,-0.1 2,-0.2 -0.869 41.9-145.4 -95.3 94.8 2.8 20.5 -6.0 78 89 A V E -a 9 0A 1 -2,-1.0 53,-1.7 -70,-0.2 2,-0.6 -0.456 14.2-162.7 -72.4 132.8 -0.1 18.0 -5.5 79 90 A L E -ac 10 131A 0 -70,-1.9 -68,-2.6 -2,-0.2 2,-0.5 -0.940 8.2-151.7-118.9 107.0 0.8 14.3 -5.7 80 91 A V E - c 0 132A 0 51,-2.9 53,-2.6 -2,-0.6 2,-0.5 -0.679 9.1-153.3 -82.9 123.8 -2.2 12.1 -6.2 81 92 A Q E + c 0 133A 3 -2,-0.5 -32,-2.7 -34,-0.4 2,-0.3 -0.892 20.3 173.0-105.4 120.7 -1.6 8.6 -4.7 82 93 A L E -bc 49 134A 2 51,-2.4 53,-2.6 -2,-0.5 2,-0.5 -0.926 24.2-149.2-126.7 149.5 -3.6 5.7 -6.2 83 94 A V E -bc 50 135A 0 -34,-2.1 -32,-3.0 -2,-0.3 2,-0.6 -0.989 8.8-154.9-115.6 127.7 -3.7 1.9 -5.9 84 95 A I E +bc 51 136A 2 51,-2.6 53,-3.0 -2,-0.5 2,-0.2 -0.920 27.0 161.6 -97.8 119.0 -4.6 -0.2 -9.0 85 96 A Y + 0 0 37 -34,-1.9 51,-0.1 -2,-0.6 -2,-0.0 -0.654 30.5 97.3-145.9 78.5 -6.0 -3.4 -7.6 86 97 A N + 0 0 0 -2,-0.2 15,-0.1 13,-0.1 -1,-0.1 0.182 36.8 159.7-157.2 29.4 -8.1 -5.5 -10.0 87 98 A L > - 0 0 1 1,-0.1 3,-1.0 -3,-0.1 14,-0.3 -0.167 51.5 -97.6 -54.2 150.3 -6.1 -8.3 -11.6 88 99 A P T 3 S+ 0 0 1 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.425 112.9 17.3 -68.9 147.4 -8.1 -11.2 -13.1 89 100 A D T 3 S- 0 0 26 12,-2.3 3,-0.3 1,-0.1 13,-0.1 0.887 99.8-164.2 51.3 43.1 -8.3 -14.2 -10.7 90 101 A R < + 0 0 19 -3,-1.0 9,-0.1 11,-0.6 -1,-0.1 -0.099 60.1 17.4 -55.0 148.9 -7.2 -11.7 -8.0 91 102 A D S > S- 0 0 10 48,-0.4 3,-2.2 47,-0.2 -1,-0.2 0.929 75.8-174.0 55.9 53.5 -5.9 -12.9 -4.7 92 103 A a T 3 S+ 0 0 2 47,-0.3 61,-0.3 -3,-0.3 60,-0.2 0.698 75.3 50.6 -59.9 -26.9 -5.2 -16.3 -6.0 93 104 A A T 3 S+ 0 0 42 46,-0.2 -1,-0.3 59,-0.1 2,-0.2 0.511 90.1 99.0 -89.3 -4.9 -4.2 -17.9 -2.7 94 105 A A S < S- 0 0 37 -3,-2.2 3,-0.1 1,-0.1 0, 0.0 -0.538 78.3-128.3 -81.3 147.3 -7.3 -16.6 -0.8 95 106 A K S S+ 0 0 214 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.850 96.6 13.7 -59.6 -35.4 -10.3 -18.9 -0.2 96 107 A A - 0 0 52 236,-0.1 2,-0.4 -5,-0.0 -1,-0.2 -0.994 68.2-164.2-142.7 144.6 -12.5 -16.2 -1.7 97 108 A S - 0 0 21 -2,-0.3 -6,-0.1 2,-0.1 -8,-0.0 -0.997 17.5-154.3-129.4 141.2 -11.8 -13.0 -3.6 98 109 A D + 0 0 112 -2,-0.4 -7,-0.1 234,-0.1 -1,-0.1 0.408 55.1 130.0 -83.9 -6.6 -14.1 -10.1 -4.3 99 110 A G - 0 0 4 -9,-0.1 -2,-0.1 1,-0.1 -10,-0.1 -0.296 54.8-145.3 -54.7 135.0 -12.2 -9.2 -7.5 100 111 A E S S+ 0 0 84 -12,-0.1 2,-0.4 -11,-0.0 -1,-0.1 0.614 71.9 80.1 -84.5 -10.9 -14.7 -8.8 -10.3 101 112 A F - 0 0 19 -14,-0.3 -12,-2.3 -15,-0.1 -11,-0.6 -0.840 54.8-174.4-105.5 135.5 -12.5 -10.3 -13.1 102 113 A H > > - 0 0 74 -2,-0.4 3,-2.1 3,-0.3 5,-1.7 -0.976 28.3-135.1-128.9 134.2 -12.1 -14.0 -13.8 103 114 A L G > 5S+ 0 0 50 -2,-0.4 3,-0.8 1,-0.3 5,-0.3 0.859 107.2 55.5 -55.9 -36.7 -9.8 -15.6 -16.3 104 115 A D G 3 5S+ 0 0 151 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.481 106.5 53.3 -78.7 -0.9 -12.5 -18.0 -17.4 105 116 A D G < 5S- 0 0 96 -3,-2.1 -3,-0.3 0, 0.0 -1,-0.3 -0.371 132.7 -82.3-125.0 53.9 -14.8 -15.1 -18.1 106 117 A D T <>5S+ 0 0 89 -3,-0.8 4,-2.3 1,-0.1 -3,-0.2 0.755 77.9 154.7 59.8 29.9 -12.6 -13.0 -20.4 107 118 A G H >< + 0 0 0 -5,-1.7 4,-2.3 1,-0.2 -4,-0.2 0.800 62.6 55.5 -61.9 -36.8 -10.8 -11.6 -17.4 108 119 A A H > S+ 0 0 49 -5,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.946 113.0 41.7 -63.7 -45.2 -7.5 -10.7 -19.1 109 120 A N H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.874 114.1 52.8 -68.2 -38.0 -9.1 -8.6 -21.8 110 121 A K H X S+ 0 0 77 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.877 107.1 52.6 -65.0 -36.3 -11.5 -7.1 -19.2 111 122 A Y H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.925 106.9 51.9 -65.7 -44.3 -8.5 -6.1 -17.1 112 123 A R H X S+ 0 0 104 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.931 110.6 48.3 -55.4 -44.8 -6.8 -4.4 -20.0 113 124 A A H X S+ 0 0 47 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.870 109.0 53.4 -65.9 -36.5 -10.0 -2.4 -20.7 114 125 A Y H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.928 110.8 47.1 -60.0 -46.1 -10.2 -1.4 -16.9 115 126 A V H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.926 109.4 53.8 -59.7 -43.6 -6.7 -0.2 -17.2 116 127 A D H X S+ 0 0 72 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.849 106.8 52.1 -61.7 -36.1 -7.6 1.7 -20.4 117 128 A R H X S+ 0 0 114 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.897 110.4 47.7 -66.7 -39.8 -10.4 3.4 -18.5 118 129 A I H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.928 109.0 54.7 -63.2 -45.5 -8.0 4.5 -15.8 119 130 A V H < S+ 0 0 31 -4,-3.0 4,-0.2 1,-0.2 -2,-0.2 0.924 104.7 53.7 -54.0 -45.7 -5.6 5.8 -18.4 120 131 A A H >< S+ 0 0 55 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.919 110.1 47.0 -58.0 -42.9 -8.3 7.9 -20.0 121 132 A E H >< S+ 0 0 57 -4,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.850 112.6 49.7 -67.9 -32.1 -9.0 9.5 -16.6 122 133 A L T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.295 105.5 60.6 -87.4 10.5 -5.3 10.1 -15.9 123 134 A S T < S+ 0 0 45 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.203 75.8 114.0-123.1 11.5 -4.8 11.7 -19.4 124 135 A T S <> S- 0 0 42 -3,-0.7 4,-2.3 -4,-0.1 5,-0.1 -0.322 82.2-104.1 -76.1 166.3 -7.2 14.7 -19.1 125 136 A A H > S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.895 124.9 50.0 -57.0 -39.8 -5.9 18.3 -19.2 126 137 A D H >4 S+ 0 0 49 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.926 107.8 52.3 -65.0 -44.6 -6.5 18.4 -15.4 127 138 A A H >4 S+ 0 0 0 1,-0.3 3,-1.9 -6,-0.2 -2,-0.2 0.898 102.0 61.3 -57.5 -40.4 -4.6 15.2 -14.8 128 139 A D H 3< S+ 0 0 92 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.719 97.3 59.4 -58.7 -23.8 -1.7 16.7 -16.8 129 140 A K T << S+ 0 0 101 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.589 104.4 60.9 -78.2 -15.3 -1.4 19.5 -14.2 130 141 A L S < S- 0 0 6 -3,-1.9 2,-0.3 -4,-0.4 -51,-0.2 -0.545 75.5-126.8-108.3 171.6 -0.8 17.0 -11.4 131 142 A H E -c 79 0A 20 -53,-1.7 -51,-2.9 -2,-0.2 2,-0.4 -0.918 24.4-152.2-115.4 150.1 1.8 14.3 -10.4 132 143 A F E -cd 80 176A 0 43,-2.5 45,-2.7 -2,-0.3 2,-0.5 -0.962 15.2-166.2-126.0 140.8 0.8 10.7 -9.6 133 144 A S E -cd 81 177A 0 -53,-2.6 -51,-2.4 -2,-0.4 2,-0.5 -0.998 22.4-171.1-119.3 120.3 2.2 8.0 -7.4 134 145 A I E -cd 82 178A 0 43,-2.4 45,-2.9 -2,-0.5 2,-0.5 -0.964 17.2-152.3-126.6 122.1 0.6 4.6 -8.2 135 146 A V E -cd 83 179A 0 -53,-2.6 -51,-2.6 -2,-0.5 2,-0.7 -0.802 22.4-139.9 -86.8 128.9 0.9 1.3 -6.4 136 147 A L E -cd 84 180A 0 43,-2.7 45,-2.4 -2,-0.5 -51,-0.1 -0.853 54.8 -35.2-103.0 111.1 0.4 -1.7 -8.7 137 148 A E > - 0 0 1 -53,-3.0 3,-0.7 -2,-0.7 4,-0.4 0.911 58.2-149.3 59.1 70.7 -1.6 -4.7 -7.6 138 149 A P T 3 S+ 0 0 10 0, 0.0 -47,-0.2 0, 0.0 -1,-0.1 -0.224 81.5 27.3 -55.5 156.4 -1.1 -5.7 -4.0 139 150 A D T 3 S+ 0 0 45 1,-0.1 -48,-0.4 -49,-0.1 -47,-0.3 0.818 102.3 97.2 58.2 35.8 -1.4 -9.4 -3.2 140 151 A S S X S+ 0 0 3 -3,-0.7 3,-2.0 -49,-0.1 4,-0.4 0.654 74.6 28.3-114.3 -85.8 -0.3 -10.5 -6.6 141 152 A L T >> S+ 0 0 1 -4,-0.4 3,-1.2 1,-0.3 4,-0.6 0.692 106.5 69.7 -65.4 -25.8 3.3 -11.5 -7.6 142 153 A G H >> S+ 0 0 6 1,-0.3 4,-2.0 2,-0.2 3,-1.0 0.814 91.1 65.0 -57.5 -28.8 4.3 -12.8 -4.1 143 154 A N H <> S+ 0 0 1 -3,-2.0 4,-2.0 1,-0.3 -1,-0.3 0.794 94.7 57.6 -63.3 -29.6 1.9 -15.6 -4.8 144 155 A M H <4 S+ 0 0 23 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.681 110.2 45.4 -72.5 -17.8 4.2 -16.7 -7.7 145 156 A V H << S+ 0 0 33 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.862 132.8 10.9 -89.5 -41.4 7.0 -17.0 -5.2 146 157 A T H < S+ 0 0 45 -4,-2.0 3,-0.2 1,-0.1 -3,-0.2 0.558 123.8 51.8-118.5 -11.7 5.3 -18.9 -2.4 147 158 A N >< + 0 0 33 -4,-2.0 3,-2.0 -5,-0.3 6,-0.3 0.068 59.6 119.1-122.7 27.7 1.9 -20.2 -3.6 148 159 A M T 3 + 0 0 77 1,-0.3 -1,-0.1 5,-0.1 -4,-0.1 0.556 69.8 69.3 -75.1 -4.7 2.6 -22.0 -6.8 149 160 A H T 3 S+ 0 0 136 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.530 81.7 92.7 -79.2 -9.4 1.2 -25.2 -5.2 150 161 A V S X> S- 0 0 34 -3,-2.0 4,-2.6 -7,-0.2 3,-0.6 -0.785 75.7-142.3 -90.4 119.7 -2.3 -23.5 -5.3 151 162 A P H 3> S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.870 101.2 50.9 -46.1 -47.1 -4.2 -24.3 -8.5 152 163 A K H 3> S+ 0 0 64 -60,-0.2 4,-0.8 1,-0.2 -59,-0.1 0.889 112.3 47.2 -62.9 -38.2 -5.7 -20.8 -8.8 153 164 A a H X> S+ 0 0 0 -3,-0.6 4,-1.6 -61,-0.3 3,-0.7 0.922 109.9 52.2 -68.6 -43.3 -2.2 -19.3 -8.5 154 165 A Q H 3< S+ 0 0 113 -4,-2.6 4,-0.4 -7,-0.2 3,-0.3 0.920 113.6 45.6 -52.8 -44.8 -0.7 -21.8 -11.0 155 166 A G H 3< S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.2 4,-0.2 0.623 117.3 43.3 -76.2 -14.3 -3.5 -20.7 -13.4 156 167 A A H S+ 0 0 81 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.923 115.5 52.9 -61.2 -42.6 1.1 -15.6 -16.4 159 170 A A H > S+ 0 0 13 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.829 106.8 52.1 -62.9 -36.0 -1.9 -13.4 -16.2 160 171 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.942 113.8 43.0 -66.2 -47.5 -0.6 -11.5 -13.2 161 172 A K H X S+ 0 0 33 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.934 117.8 45.4 -62.3 -45.8 2.7 -10.8 -14.9 162 173 A E H X S+ 0 0 107 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.861 113.8 50.4 -66.9 -35.7 1.0 -9.9 -18.2 163 174 A G H X S+ 0 0 8 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.963 113.3 43.0 -67.4 -51.7 -1.6 -7.7 -16.4 164 175 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.907 111.8 56.3 -62.1 -38.1 0.9 -5.7 -14.4 165 176 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.912 107.7 48.2 -60.0 -42.1 3.1 -5.4 -17.5 166 177 A Y H X S+ 0 0 31 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.913 110.3 51.3 -63.9 -42.3 0.2 -3.9 -19.4 167 178 A T H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.939 113.2 45.1 -60.9 -45.4 -0.5 -1.5 -16.5 168 179 A I H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.951 114.1 48.8 -60.1 -51.1 3.2 -0.4 -16.5 169 180 A A H 3< S+ 0 0 5 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.757 111.6 51.0 -61.9 -25.3 3.3 -0.1 -20.3 170 181 A S H 3< S+ 0 0 29 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.539 106.2 53.8 -89.6 -10.6 0.1 2.0 -20.3 171 182 A L << + 0 0 1 -3,-1.3 2,-1.0 -4,-0.7 -1,-0.2 -0.220 64.2 135.3-126.2 40.3 1.1 4.5 -17.7 172 183 A Q + 0 0 61 -3,-0.4 5,-0.1 3,-0.0 45,-0.0 -0.805 29.1 133.9 -91.7 100.9 4.4 5.9 -19.0 173 184 A K > - 0 0 65 -2,-1.0 3,-1.8 3,-0.4 -2,-0.0 -0.984 65.6-116.5-145.4 151.6 4.1 9.7 -18.6 174 185 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.760 115.4 50.3 -62.4 -23.1 6.5 12.3 -17.1 175 186 A N T 3 S+ 0 0 21 -44,-0.1 -43,-2.5 2,-0.0 2,-0.4 0.155 98.2 80.5-100.9 16.4 4.0 13.0 -14.3 176 187 A I E < -d 132 0A 13 -3,-1.8 2,-0.4 -45,-0.2 -3,-0.4 -0.990 52.7-171.4-127.6 126.7 3.4 9.4 -13.2 177 188 A D E -d 133 0A 24 -45,-2.7 -43,-2.4 -2,-0.4 2,-0.4 -0.969 14.4-153.7-113.1 134.3 5.7 7.3 -10.9 178 189 A L E -d 134 0A 2 -2,-0.4 40,-2.2 -45,-0.2 41,-1.5 -0.886 11.1-171.1-112.5 136.9 4.9 3.6 -10.6 179 190 A Y E -de 135 219A 0 -45,-2.9 -43,-2.7 -2,-0.4 2,-0.3 -0.984 18.3-141.3-126.4 117.4 5.7 1.3 -7.7 180 191 A I E -de 136 220A 0 39,-2.6 41,-2.1 -2,-0.5 -43,-0.1 -0.636 31.2-108.4 -74.5 132.8 5.0 -2.4 -8.1 181 192 A D E - e 0 221A 10 -45,-2.4 -40,-0.2 -2,-0.3 41,-0.2 -0.413 35.6-178.0 -60.4 136.0 3.7 -4.0 -4.9 182 193 A A - 0 0 2 39,-3.1 6,-0.2 1,-0.4 -1,-0.1 -0.088 30.8-129.8-129.9 34.5 6.3 -6.2 -3.3 183 194 A A - 0 0 9 38,-0.2 40,-2.4 39,-0.1 41,-0.4 -0.218 40.7 -70.0 56.0-140.7 4.4 -7.6 -0.3 184 195 A H >>> - 0 0 22 38,-0.2 4,-2.0 39,-0.2 3,-1.9 -0.897 44.0 -89.6-147.9 170.5 6.2 -7.3 3.1 185 196 A G H 3>5S+ 0 0 0 1,-0.3 4,-1.4 -2,-0.3 5,-0.3 0.813 121.1 57.3 -58.8 -33.2 9.2 -8.8 5.0 186 197 A G H 345S+ 0 0 14 2,-0.2 -1,-0.3 3,-0.1 97,-0.1 0.609 115.2 37.3 -74.8 -13.0 7.2 -11.6 6.5 187 198 A W H <45S+ 0 0 53 -3,-1.9 3,-0.3 96,-0.0 -2,-0.2 0.852 135.6 11.2 -98.3 -62.3 6.1 -12.8 3.0 188 199 A L H <5S+ 0 0 2 -4,-2.0 -3,-0.2 -6,-0.2 9,-0.2 0.404 105.6 84.8-105.5 2.3 9.1 -12.3 0.7 189 200 A G << + 0 0 0 -4,-1.4 54,-0.4 -5,-0.5 -1,-0.2 0.662 59.1 112.0 -80.5 -18.2 11.9 -11.5 3.1 190 201 A W S >> S- 0 0 85 -3,-0.3 3,-2.3 -5,-0.3 4,-0.9 -0.265 83.4-109.2 -55.4 142.9 12.8 -15.2 3.9 191 202 A N H >> S+ 0 0 91 50,-0.5 3,-0.6 1,-0.3 4,-0.5 0.830 116.1 46.5 -47.5 -44.4 16.3 -16.0 2.4 192 203 A D H 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.544 109.0 56.4 -82.3 -3.6 15.0 -18.3 -0.3 193 204 A N H <> S+ 0 0 29 -3,-2.3 4,-1.7 2,-0.1 -1,-0.2 0.633 88.2 75.5 -97.3 -16.6 12.3 -15.8 -1.5 194 205 A L H S+ 0 0 52 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.857 111.7 53.3 -60.2 -30.6 12.9 -15.2 -7.1 197 208 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.967 110.1 45.8 -64.2 -52.0 11.0 -12.0 -6.0 198 209 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.922 113.0 52.2 -55.0 -44.9 13.7 -9.8 -7.6 199 210 A E H X S+ 0 0 96 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.906 108.7 48.6 -61.3 -42.7 13.5 -12.0 -10.7 200 211 A I H X S+ 0 0 12 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.866 109.5 51.9 -69.6 -33.6 9.8 -11.8 -11.1 201 212 A F H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.936 113.8 44.8 -64.3 -43.4 9.7 -8.0 -10.7 202 213 A K H X S+ 0 0 39 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.900 111.0 53.3 -66.7 -39.5 12.4 -7.8 -13.5 203 214 A E H X S+ 0 0 82 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.903 110.5 47.8 -60.1 -41.6 10.5 -10.4 -15.6 204 215 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.916 111.4 49.4 -68.4 -44.0 7.3 -8.3 -15.3 205 216 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.908 109.1 53.6 -60.4 -40.8 9.2 -5.1 -16.2 206 217 A D H X S+ 0 0 72 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.900 107.1 50.7 -62.8 -40.8 10.7 -6.8 -19.2 207 218 A L H >< S+ 0 0 46 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.910 107.5 54.4 -60.3 -41.2 7.3 -7.8 -20.4 208 219 A A H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.3 3,-1.5 0.893 103.5 55.9 -60.1 -37.0 6.2 -4.2 -20.1 209 220 A R H 3< S+ 0 0 82 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.670 97.9 61.7 -73.0 -15.7 9.1 -3.1 -22.3 210 221 A Q T << S+ 0 0 159 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.525 113.2 37.7 -81.9 -8.2 7.9 -5.5 -25.1 211 222 A I T <4 S+ 0 0 72 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.793 133.9 20.5-101.9 -55.4 4.7 -3.4 -25.2 212 223 A T S >< S- 0 0 47 -4,-2.6 3,-2.2 1,-0.1 -1,-0.3 -0.941 85.9-139.9-119.1 103.9 6.1 0.1 -24.6 213 224 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.696 92.0 27.3 -42.4 -48.4 9.9 0.0 -25.5 214 225 A N T 3 S+ 0 0 149 -45,-0.1 -5,-0.1 -6,-0.1 -4,-0.1 0.008 84.7 157.0-107.8 31.3 11.6 2.1 -22.8 215 226 A A < + 0 0 0 -3,-2.2 2,-0.3 -7,-0.1 -6,-0.1 -0.232 15.4 178.6 -58.6 140.3 9.0 1.6 -20.1 216 227 A T - 0 0 73 -48,-0.2 2,-0.3 -8,-0.1 -38,-0.1 -0.905 20.3-151.0-134.1 164.9 10.2 2.1 -16.5 217 228 A V - 0 0 7 -2,-0.3 -38,-0.2 1,-0.1 3,-0.1 -0.921 22.5-130.4-127.9 161.3 8.9 2.0 -12.9 218 229 A R - 0 0 20 -40,-2.2 48,-0.4 -2,-0.3 2,-0.3 0.861 63.6 -93.6 -74.7 -37.1 10.2 3.9 -9.9 219 230 A G E -e 179 0A 0 -41,-1.5 -39,-2.6 46,-0.1 2,-0.3 -0.897 57.0 -31.3 162.6-134.2 10.5 0.8 -7.8 220 231 A L E -ef 180 267A 0 46,-2.6 48,-2.1 -41,-0.3 2,-0.4 -0.864 31.3-141.7-128.1 154.4 8.4 -1.1 -5.2 221 232 A A E -ef 181 268A 0 -41,-2.1 -39,-3.1 -2,-0.3 2,-0.3 -0.973 27.3-170.2-114.5 133.3 5.8 -0.6 -2.5 222 233 A I E + f 0 269A 0 46,-2.4 48,-2.7 -2,-0.4 -38,-0.2 -0.883 56.1 21.0-127.3 157.6 6.1 -2.6 0.7 223 234 A N S > S+ 0 0 0 -40,-2.4 3,-2.5 -2,-0.3 -39,-0.2 0.538 71.5 173.1 68.7 12.0 4.0 -3.4 3.8 224 235 A V T 3 S- 0 0 18 -41,-0.4 -1,-0.2 1,-0.3 3,-0.1 -0.283 72.7 -4.2 -54.3 124.8 0.8 -2.3 2.0 225 236 A S T 3 S+ 0 0 34 1,-0.2 -1,-0.3 -87,-0.0 2,-0.1 0.498 116.1 108.2 68.2 5.2 -2.2 -3.1 4.3 226 237 A N < - 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