==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 25-JAN-94 1BYD . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR B.MIKAMI,M.DEGANO,E.J.HEHRE,J.C.SACCHETTINI . 490 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.7 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 . 4 0.8 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 . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 2 2 1 0 0 2 0 1 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 0 4 2 1 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 5 A S 0 0 102 0, 0.0 402,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.9 -4.3 66.6 15.6 2 6 A N - 0 0 86 400,-0.2 401,-0.6 1,-0.1 3,-0.2 0.237 360.0-112.6 -63.9-178.7 -6.7 64.2 14.0 3 7 A M S > S+ 0 0 65 1,-0.2 3,-3.7 2,-0.1 4,-0.3 0.832 102.5 78.3 -87.2 -40.5 -8.2 61.1 15.5 4 8 A L G > S+ 0 0 25 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.652 80.5 76.5 -46.7 -17.1 -6.5 58.5 13.3 5 9 A L G 3 S+ 0 0 44 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.566 87.7 58.8 -72.7 -10.7 -3.6 59.1 15.6 6 10 A N G < S+ 0 0 1 -3,-3.7 -1,-0.3 398,-0.2 2,-0.2 0.412 78.4 124.7 -96.4 -6.8 -5.4 57.1 18.3 7 11 A Y < - 0 0 6 -3,-1.2 431,-0.2 -4,-0.3 430,-0.1 -0.356 40.4-169.4 -62.6 131.5 -5.5 54.0 16.1 8 12 A V - 0 0 1 429,-2.3 403,-0.1 -2,-0.2 402,-0.1 -0.955 23.0-127.7-121.3 121.5 -4.0 50.8 17.5 9 13 A P - 0 0 0 0, 0.0 403,-1.6 0, 0.0 2,-0.4 -0.373 15.6-147.9 -66.7 160.4 -3.7 48.0 15.1 10 14 A V E -a 412 0A 0 32,-0.2 34,-1.5 401,-0.2 35,-1.1 -0.955 12.3-173.0-128.4 129.5 -5.1 44.5 15.7 11 15 A Y E -ab 413 45A 8 401,-2.6 403,-2.7 -2,-0.4 2,-0.4 -0.774 13.0-142.4-115.2 162.1 -3.5 41.2 14.4 12 16 A V E -ab 414 46A 0 33,-1.3 35,-2.2 -2,-0.2 2,-0.3 -0.985 17.3-124.2-128.3 125.0 -4.9 37.6 14.5 13 17 A M E - b 0 47A 11 401,-1.4 404,-1.2 -2,-0.4 35,-0.2 -0.571 25.8-129.8 -69.9 144.0 -2.9 34.5 15.1 14 18 A L - 0 0 3 33,-2.5 35,-0.1 -2,-0.3 402,-0.1 -0.438 40.0 -79.7 -78.8 162.2 -3.3 31.9 12.5 15 19 A P > - 0 0 38 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 -0.180 49.0-104.7 -64.6 152.1 -4.1 28.3 13.5 16 20 A L T 3 S+ 0 0 20 1,-0.3 4,-0.1 2,-0.1 32,-0.0 -0.468 107.4 25.5 -71.3 153.3 -1.3 26.2 14.8 17 21 A G T 3 S+ 0 0 13 2,-0.2 9,-0.3 -2,-0.1 -1,-0.3 0.524 70.6 142.1 73.4 1.1 -0.2 23.7 12.3 18 22 A V S < S+ 0 0 20 -3,-1.4 8,-1.2 1,-0.2 2,-0.6 0.827 85.7 37.0 -44.3 -30.9 -1.4 25.8 9.2 19 23 A V B S-J 25 0B 1 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.984 105.6-138.4-117.7 118.2 1.7 24.4 7.6 20 24 A N > - 0 0 22 4,-2.6 3,-2.6 -2,-0.6 4,-0.5 -0.092 24.1 -90.9 -81.3 179.3 2.0 20.9 9.0 21 25 A V T 3 S+ 0 0 62 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.610 123.0 62.0 -59.5 -26.0 5.0 18.9 10.3 22 26 A D T 3 S- 0 0 118 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.196 119.5-108.3 -83.9 13.6 5.6 17.5 6.9 23 27 A N S < S+ 0 0 24 -3,-2.6 2,-0.5 1,-0.2 44,-0.2 0.926 75.2 138.4 63.4 41.8 6.2 21.0 5.6 24 28 A V - 0 0 69 -4,-0.5 -4,-2.6 43,-0.1 2,-1.1 -0.980 58.4-134.3-124.0 128.8 3.0 21.0 3.7 25 29 A F B -J 19 0B 27 -2,-0.5 -6,-0.2 -6,-0.2 -7,-0.1 -0.744 34.3-162.6 -81.3 100.3 0.6 24.0 3.5 26 30 A E + 0 0 125 -8,-1.2 -1,-0.2 -2,-1.1 3,-0.1 0.795 60.0 6.1 -64.4 -49.4 -2.5 22.0 4.2 27 31 A D > + 0 0 95 -9,-0.4 4,-2.4 1,-0.1 5,-0.3 -0.535 56.3 166.0-144.0 74.8 -5.6 23.7 3.2 28 32 A P H > S+ 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.889 80.3 57.1 -57.7 -32.3 -5.1 27.0 1.4 29 33 A D H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.939 108.5 45.2 -70.4 -39.8 -8.6 27.1 0.3 30 34 A G H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.950 113.3 47.8 -67.3 -45.9 -9.9 26.9 3.7 31 35 A L H X S+ 0 0 5 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.950 106.9 61.2 -61.9 -37.0 -7.6 29.4 5.2 32 36 A K H X S+ 0 0 68 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.898 101.8 47.6 -61.0 -43.2 -8.4 31.6 2.4 33 37 A E H X S+ 0 0 119 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.961 114.1 50.9 -64.8 -38.5 -12.1 31.9 3.2 34 38 A Q H X S+ 0 0 37 -4,-2.2 4,-2.0 1,-0.2 3,-0.3 0.975 109.1 48.2 -56.9 -56.3 -11.1 32.6 6.8 35 39 A L H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.3 5,-0.2 0.875 106.7 57.9 -53.9 -37.2 -8.6 35.4 5.9 36 40 A L H X S+ 0 0 66 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.3 0.923 104.3 52.2 -63.2 -36.5 -11.2 37.0 3.7 37 41 A Q H X S+ 0 0 85 -4,-1.9 4,-1.8 -3,-0.3 -1,-0.2 0.925 108.9 49.9 -62.3 -41.0 -13.5 37.2 6.7 38 42 A L H <>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 4,-0.4 0.902 108.3 52.6 -63.8 -41.5 -10.7 38.9 8.7 39 43 A R H ><5S+ 0 0 50 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.919 109.4 50.3 -60.2 -38.8 -10.1 41.5 5.9 40 44 A A H 3<5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.867 105.3 56.9 -69.7 -36.0 -13.8 42.3 5.9 41 45 A A T 3<5S- 0 0 16 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.503 119.8-107.2 -65.7 -21.7 -13.8 42.8 9.6 42 46 A G T < 5 + 0 0 9 -3,-1.2 -32,-0.2 -4,-0.4 402,-0.2 0.551 60.7 161.6 103.3 7.5 -11.1 45.4 9.4 43 47 A V < - 0 0 0 -5,-1.9 -1,-0.3 1,-0.1 -32,-0.1 -0.380 31.8-148.2 -64.5 134.6 -8.2 43.3 10.9 44 48 A D - 0 0 5 -34,-1.5 37,-2.1 -2,-0.2 2,-0.3 0.869 61.4 -32.9 -78.2 -39.5 -4.7 44.7 10.0 45 49 A G E -bc 11 81A 0 -35,-1.1 -33,-1.3 35,-0.3 2,-0.3 -0.907 55.1-113.5-164.9-173.3 -2.6 41.6 9.8 46 50 A V E -bc 12 82A 0 35,-2.4 37,-2.6 -35,-0.3 2,-0.4 -0.890 17.9-133.5-140.9 160.1 -2.0 38.1 11.1 47 51 A M E +bc 13 83A 1 -35,-2.2 -33,-2.5 -2,-0.3 2,-0.3 -0.971 23.2 179.9-120.3 143.1 0.7 36.3 13.1 48 52 A V E - c 0 84A 6 35,-2.6 37,-2.6 -2,-0.4 2,-0.3 -0.999 28.1-120.3-147.1 143.9 2.2 33.0 12.3 49 53 A D E - c 0 85A 21 -2,-0.3 2,-0.8 35,-0.2 37,-0.1 -0.652 14.5-155.6 -75.7 135.2 5.0 30.6 13.8 50 54 A V E - c 0 86A 0 35,-2.1 37,-1.4 -2,-0.3 2,-0.5 -0.885 28.1-142.6-108.2 81.4 7.8 29.9 11.4 51 55 A W E >> - c 0 87A 8 -2,-0.8 4,-2.2 1,-0.2 3,-1.6 -0.403 16.5-158.5 -59.0 119.3 8.7 26.5 13.0 52 56 A W H 3> S+ 0 0 0 35,-2.7 4,-2.4 -2,-0.5 -1,-0.2 0.925 93.0 58.3 -58.7 -38.9 12.3 25.8 13.1 53 57 A G H 34 S+ 0 0 8 34,-0.5 -1,-0.3 36,-0.3 52,-0.2 0.703 108.8 42.8 -74.2 -14.9 11.5 22.1 13.5 54 58 A I H X4 S+ 0 0 3 -3,-1.6 3,-0.9 47,-0.1 4,-0.2 0.869 118.3 43.8 -88.6 -42.3 9.6 22.0 10.3 55 59 A I H 3< S+ 0 0 2 -4,-2.2 9,-1.4 1,-0.3 3,-0.3 0.878 120.8 33.9 -69.2 -48.8 12.1 24.1 8.2 56 60 A E T 3< S+ 0 0 0 -4,-2.4 3,-0.3 -5,-0.3 -1,-0.3 -0.103 85.9 123.4-102.7 32.1 15.5 22.8 9.1 57 61 A L < + 0 0 70 -3,-0.9 49,-0.6 1,-0.2 -1,-0.2 0.911 61.0 55.6 -57.4 -54.4 14.2 19.2 9.6 58 62 A K S S- 0 0 175 4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.751 119.8 -53.6 -59.5 -35.8 16.3 17.2 7.3 59 63 A G S > S- 0 0 9 -3,-0.3 3,-2.1 3,-0.3 2,-0.2 -0.920 83.8 -34.7 170.2 175.2 19.8 18.1 8.6 60 64 A P T 3 S- 0 0 49 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.290 126.6 -1.5 -63.3 129.7 21.9 21.2 9.3 61 65 A K T 3 S+ 0 0 125 1,-0.2 2,-1.0 -2,-0.2 -5,-0.1 0.682 92.8 130.9 65.1 20.5 21.3 24.0 6.9 62 66 A Q < + 0 0 107 -3,-2.1 -4,-0.5 -6,-0.2 2,-0.4 -0.692 35.3 172.2 -96.4 76.4 18.8 22.0 5.0 63 67 A Y - 0 0 48 -2,-1.0 2,-0.5 -7,-0.2 -7,-0.2 -0.748 23.2-168.2 -91.7 145.7 16.1 24.5 4.9 64 68 A D + 0 0 42 -9,-1.4 3,-0.2 -2,-0.4 4,-0.2 -0.936 13.6 167.9-127.3 104.4 12.9 24.1 2.9 65 69 A W > + 0 0 14 -2,-0.5 4,-2.0 1,-0.2 3,-0.1 0.384 46.0 104.7 -91.9 0.6 11.0 27.4 2.8 66 70 A R H > S+ 0 0 177 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 76.2 46.4 -56.5 -54.2 8.6 26.4 0.1 67 71 A A H > S+ 0 0 10 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 112.3 51.9 -60.8 -33.7 5.4 25.9 2.0 68 72 A Y H > S+ 0 0 1 -4,-0.2 4,-3.4 2,-0.2 5,-0.3 0.894 103.9 58.5 -69.1 -33.2 5.8 29.1 4.0 69 73 A R H X S+ 0 0 79 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.961 106.7 48.5 -56.9 -42.2 6.3 31.0 0.6 70 74 A S H X S+ 0 0 63 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.894 112.4 47.5 -62.5 -43.6 2.9 29.8 -0.5 71 75 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.954 111.7 49.5 -64.0 -52.4 1.3 30.8 2.8 72 76 A F H X S+ 0 0 0 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.927 109.3 53.8 -53.3 -39.3 2.9 34.2 2.7 73 77 A Q H X S+ 0 0 80 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.944 108.8 47.3 -63.1 -47.0 1.7 34.6 -0.8 74 78 A L H X S+ 0 0 13 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.879 110.8 52.9 -59.0 -37.6 -2.0 33.8 0.1 75 79 A V H <>S+ 0 0 0 -4,-3.0 5,-1.8 2,-0.2 4,-0.4 0.963 109.1 49.0 -61.3 -51.9 -1.7 36.3 3.1 76 80 A Q H ><5S+ 0 0 72 -4,-2.6 3,-1.9 -5,-0.2 -2,-0.2 0.948 108.2 53.7 -50.7 -50.9 -0.5 39.0 0.7 77 81 A E H 3<5S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 104.3 58.3 -52.3 -33.2 -3.4 38.3 -1.8 78 82 A C T 3<5S- 0 0 5 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.508 114.4-115.9 -82.2 2.1 -5.8 38.7 1.1 79 83 A G T < 5S+ 0 0 37 -3,-1.9 2,-0.3 -4,-0.4 -3,-0.2 0.825 72.4 126.6 78.0 21.7 -4.7 42.2 1.9 80 84 A L < - 0 0 5 -5,-1.8 -35,-0.3 -4,-0.0 -1,-0.2 -0.875 52.9-131.4-113.4 154.1 -3.3 41.5 5.3 81 85 A T E -c 45 0A 36 -37,-2.1 -35,-2.4 -2,-0.3 2,-0.4 -0.484 26.2-128.3 -92.7-179.2 0.1 42.2 6.8 82 86 A L E -cd 46 170A 0 87,-2.3 89,-3.5 -37,-0.3 90,-1.0 -0.966 16.3-160.3-139.6 133.3 2.1 39.6 8.7 83 87 A Q E -cd 47 172A 6 -37,-2.6 -35,-2.6 -2,-0.4 2,-0.6 -0.968 24.9-158.9-102.1 114.6 4.0 39.1 12.0 84 88 A A E -cd 48 173A 0 88,-2.1 90,-2.9 -2,-0.5 2,-0.5 -0.875 4.1-154.8-107.3 126.7 6.4 36.3 11.7 85 89 A I E -cd 49 174A 7 -37,-2.6 -35,-2.1 -2,-0.6 2,-1.5 -0.839 14.9-141.1 -94.8 133.3 7.8 34.4 14.7 86 90 A M E -cd 50 175A 0 88,-2.9 2,-1.3 -2,-0.5 90,-1.2 -0.741 29.7-162.5 -83.7 88.3 11.1 32.7 14.4 87 91 A S E +c 51 0A 0 -2,-1.5 -35,-2.7 -37,-1.4 -34,-0.5 -0.699 25.0 165.7 -86.2 98.1 9.8 29.8 16.5 88 92 A F + 0 0 0 -2,-1.3 43,-0.4 -37,-0.2 2,-0.3 -0.119 54.2 80.5 -92.7 27.6 12.8 27.9 17.7 89 93 A H S S- 0 0 9 41,-0.1 -36,-0.3 13,-0.1 41,-0.2 -0.827 84.9 -88.5-128.2 176.4 10.8 26.0 20.3 90 94 A Q - 0 0 37 39,-2.5 90,-0.5 -2,-0.3 2,-0.5 -0.483 26.9-142.4 -95.7 144.7 8.6 23.0 20.4 91 95 A C B S+K 101 0C 1 10,-2.3 10,-2.3 -2,-0.2 12,-0.0 -0.955 74.0 52.3-100.9 133.2 4.8 23.1 19.8 92 96 A G S S+ 0 0 20 -2,-0.5 -1,-0.1 8,-0.2 5,-0.1 -0.219 83.0 68.7 146.6 -54.2 2.8 20.7 22.0 93 97 A G S S+ 0 0 16 -3,-0.1 98,-0.7 3,-0.1 97,-0.6 0.285 84.8 81.5 -87.9 10.2 3.4 20.9 25.9 94 98 A N S > S- 0 0 15 1,-0.1 3,-2.3 96,-0.1 -2,-0.1 -0.728 95.4 -65.9-116.9 168.6 1.9 24.3 26.6 95 99 A V T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 -0.158 119.5 6.1 -54.1 129.3 -1.6 25.6 27.1 96 100 A G T 3 S+ 0 0 59 1,-0.2 2,-1.7 -3,-0.1 -1,-0.3 0.290 83.7 146.7 86.9 -14.4 -3.7 25.3 23.9 97 101 A D < + 0 0 40 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.0 -0.409 13.3 167.0 -64.4 94.1 -1.1 23.4 22.0 98 102 A I + 0 0 141 -2,-1.7 2,-0.4 -3,-0.1 -1,-0.2 0.436 59.5 54.6 -83.8 -6.5 -3.2 21.0 19.8 99 103 A V S S- 0 0 39 -3,-0.0 2,-0.7 2,-0.0 -82,-0.1 -0.959 76.5-131.5-129.2 149.5 -0.4 19.9 17.5 100 104 A N + 0 0 110 -2,-0.4 -8,-0.2 -8,-0.1 -79,-0.1 -0.871 31.5 162.7 -99.2 119.4 2.9 18.5 18.2 101 105 A I B -K 91 0C 3 -10,-2.3 -10,-2.3 -2,-0.7 -48,-0.1 -0.885 17.7-165.9-131.4 105.8 5.8 20.1 16.4 102 106 A P - 0 0 41 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.350 28.2 -92.6 -87.4 177.7 9.2 19.3 17.8 103 107 A I S S- 0 0 2 25,-0.4 5,-0.1 1,-0.2 -15,-0.0 -0.210 73.8 -53.6 -73.3 170.6 12.5 20.9 17.3 104 108 A P >> - 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.249 42.3-133.5 -51.6 139.1 14.7 19.3 14.6 105 109 A Q H 3> S+ 0 0 97 1,-0.3 4,-2.7 -52,-0.2 5,-0.2 0.824 105.2 58.5 -56.9 -38.6 15.3 15.6 14.7 106 110 A W H 3> S+ 0 0 17 -49,-0.6 4,-1.2 -50,-0.2 -1,-0.3 0.928 109.8 44.2 -67.4 -28.2 19.0 16.1 14.0 107 111 A V H X> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 3,-0.6 0.957 110.7 53.4 -73.9 -47.8 19.2 18.2 17.1 108 112 A L H 3X S+ 0 0 27 -4,-2.4 4,-1.0 1,-0.3 -2,-0.2 0.895 105.8 58.1 -50.0 -37.1 17.1 15.8 19.1 109 113 A D H 3X S+ 0 0 95 -4,-2.7 4,-0.6 1,-0.3 3,-0.4 0.870 103.4 48.8 -66.2 -38.3 19.6 13.2 18.0 110 114 A I H XX S+ 0 0 25 -4,-1.2 3,-1.2 -3,-0.6 4,-1.1 0.892 106.2 58.7 -66.7 -39.8 22.4 14.9 19.5 111 115 A G H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.694 91.4 69.8 -62.6 -23.8 20.5 15.3 22.7 112 116 A E H 3< S+ 0 0 127 -4,-1.0 -1,-0.3 -3,-0.4 3,-0.2 0.793 113.3 30.2 -66.1 -22.2 20.2 11.5 22.8 113 117 A S H << S+ 0 0 101 -3,-1.2 2,-0.4 -4,-0.6 -2,-0.2 0.642 127.5 39.0-112.5 -5.7 23.7 11.6 23.5 114 118 A N >< + 0 0 30 -4,-1.1 3,-1.0 -5,-0.1 -1,-0.3 -0.907 64.2 178.6-135.9 85.0 24.3 14.9 25.3 115 119 A H G > + 0 0 80 -2,-0.4 3,-1.0 1,-0.2 -4,-0.1 0.576 68.2 78.5 -66.3 -15.1 21.3 15.2 27.5 116 120 A D G 3 + 0 0 33 1,-0.2 92,-0.3 90,-0.1 -1,-0.2 0.333 66.9 86.2 -85.0 15.1 22.5 18.4 28.9 117 121 A I G < S+ 0 0 0 -3,-1.0 15,-2.3 -6,-0.1 2,-0.3 0.603 84.3 72.1 -85.8 -6.7 21.4 20.4 25.9 118 122 A F E < S-L 131 0D 0 -3,-1.0 13,-0.2 13,-0.2 10,-0.1 -0.738 97.9 -92.2-109.3 157.2 18.0 20.7 27.5 119 123 A Y E -L 127 0D 2 11,-0.8 8,-3.0 8,-0.6 2,-0.4 -0.356 49.9-163.3 -56.7 136.5 16.6 22.6 30.3 120 124 A T E -L 126 0D 5 83,-0.4 85,-2.1 6,-0.2 86,-0.4 -0.977 8.5-146.2-132.1 134.0 16.8 20.2 33.4 121 125 A N > - 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0 0 0 -15,-2.3 3,-3.2 -2,-0.3 4,-0.2 -0.213 14.1-127.9 -62.0 139.1 19.2 25.5 27.2 133 137 A V G > S+ 0 0 14 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.797 106.0 80.3 -47.9 -31.3 20.9 28.9 27.4 134 138 A G G 3 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.810 96.9 41.6 -52.8 -25.9 23.7 26.8 28.9 135 139 A V G X S+ 0 0 0 -3,-3.2 3,-1.7 -18,-0.2 11,-1.4 0.377 74.2 114.5-109.6 14.4 24.6 26.0 25.2 136 140 A D T < S+ 0 0 3 -3,-2.0 11,-2.5 1,-0.3 12,-0.5 0.879 97.3 22.8 -46.3 -36.6 24.1 29.4 23.4 137 141 A N T 3 S+ 0 0 95 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.124 91.3 114.1-126.7 22.7 27.8 29.3 22.8 138 142 A E < - 0 0 74 -3,-1.7 2,-1.8 1,-0.1 8,-0.3 -0.860 59.8-141.6 -98.1 126.4 28.9 25.7 22.9 139 143 A P + 0 0 80 0, 0.0 4,-0.5 0, 0.0 6,-0.2 -0.266 66.2 115.0 -85.8 56.7 30.1 24.5 19.5 140 144 A I + 0 0 52 -2,-1.8 2,-1.0 -5,-0.2 5,-0.2 0.235 41.0 91.0-107.4 4.9 28.6 21.1 19.8 141 145 A F B > S-M 144 0E 0 3,-3.0 3,-1.9 -3,-0.3 -1,-0.1 -0.719 124.6 -56.1-106.0 78.8 25.9 21.1 17.1 142 146 A H T 3 S- 0 0 128 -2,-1.0 -2,-0.1 1,-0.3 -1,-0.1 0.900 115.6 -39.2 53.9 46.2 28.0 19.7 14.2 143 147 A G T 3 S+ 0 0 60 -4,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.285 123.5 100.4 92.7 -18.1 30.4 22.5 14.6 144 148 A R B < -M 141 0E 21 -3,-1.9 -3,-3.0 -6,-0.0 -1,-0.3 -0.814 64.8-132.1-103.8 158.5 27.8 25.3 15.3 145 149 A T > - 0 0 13 -2,-0.3 4,-1.4 -6,-0.2 -8,-0.2 -0.428 33.5-107.5 -91.2 168.0 26.7 26.9 18.6 146 150 A A H > S+ 0 0 0 -11,-1.4 4,-2.1 -8,-0.3 3,-0.3 0.913 121.7 54.1 -67.0 -38.9 23.0 27.2 19.3 147 151 A I H > S+ 0 0 8 -11,-2.5 4,-2.9 -12,-0.3 5,-0.2 0.942 107.0 52.3 -63.6 -34.7 23.2 31.0 18.7 148 152 A E H > S+ 0 0 92 -12,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.836 105.9 54.3 -63.3 -37.3 24.8 30.3 15.3 149 153 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.943 111.5 44.3 -62.1 -42.6 22.0 28.0 14.4 150 154 A Y H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.870 114.1 49.9 -68.4 -41.4 19.4 30.7 15.1 151 155 A S H X S+ 0 0 5 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.956 111.4 47.7 -63.3 -44.2 21.5 33.3 13.4 152 156 A D H X S+ 0 0 38 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.864 110.4 54.3 -59.4 -45.5 21.9 31.1 10.2 153 157 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.923 109.5 45.3 -59.0 -46.2 18.2 30.4 10.3 154 158 A M H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.902 111.9 52.2 -68.3 -38.7 17.2 34.1 10.3 155 159 A K H X S+ 0 0 75 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.919 111.4 47.8 -56.0 -50.5 19.7 34.9 7.6 156 160 A S H X S+ 0 0 12 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.941 110.8 50.6 -58.6 -46.8 18.2 32.2 5.5 157 161 A F H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.961 111.2 50.0 -59.5 -41.5 14.7 33.4 6.2 158 162 A R H < S+ 0 0 77 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.3 43.4 -66.9 -42.2 15.8 36.9 5.1 159 163 A E H >< S+ 0 0 127 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.913 116.9 46.1 -69.8 -43.3 17.4 35.9 1.8 160 164 A N H 3< S+ 0 0 72 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.688 119.5 39.0 -74.9 -13.5 14.6 33.5 0.8 161 165 A M T 3X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 5,-0.3 0.153 77.3 121.1-119.1 19.4 11.8 35.8 1.7 162 166 A S H <> S+ 0 0 52 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.803 72.4 54.7 -57.7 -36.2 13.4 39.0 0.4 163 167 A D H > S+ 0 0 63 2,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.956 110.8 44.8 -62.3 -51.4 10.6 39.7 -2.1 164 168 A F H 4>S+ 0 0 4 1,-0.2 5,-1.9 -3,-0.2 6,-0.6 0.919 116.6 48.5 -56.6 -38.4 7.9 39.5 0.7 165 169 A L H ><5S+ 0 0 6 -4,-2.7 3,-1.2 1,-0.2 120,-0.3 0.915 112.1 45.8 -68.0 -43.4 10.1 41.7 2.9 166 170 A E H 3<5S+ 0 0 153 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.909 107.5 59.5 -74.6 -21.2 10.8 44.2 0.4 167 171 A S T 3<5S- 0 0 66 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.432 114.1-114.4 -80.2 -0.3 7.1 44.3 -0.6 168 172 A G T < 5S+ 0 0 39 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.699 78.5 126.9 76.7 20.1 6.1 45.3 3.0 169 173 A L < + 0 0 8 -5,-1.9 -87,-2.3 -6,-0.2 2,-0.4 0.963 62.0 62.4 -71.7 -45.0 4.2 42.2 3.8 170 174 A I E +d 82 0A 2 -6,-0.6 -87,-0.2 -89,-0.2 3,-0.1 -0.569 57.2 174.5 -87.5 118.3 6.1 41.4 7.0 171 175 A I E + 0 0 26 -89,-3.5 116,-1.7 -2,-0.4 2,-0.3 0.795 63.4 11.0 -96.3 -32.7 5.8 44.0 9.6 172 176 A D E -de 83 287A 7 -90,-1.0 -88,-2.1 114,-0.2 2,-0.5 -0.984 56.3-143.8-147.7 148.0 7.6 42.6 12.6 173 177 A I E -de 84 288A 0 114,-2.6 116,-1.9 -2,-0.3 2,-0.6 -0.987 16.4-155.5-107.9 117.4 9.8 39.7 13.3 174 178 A E E -de 85 289A 2 -90,-2.9 -88,-2.9 -2,-0.5 2,-0.8 -0.795 13.1-144.4 -95.1 117.7 9.2 38.2 16.7 175 179 A V E -d 86 0A 2 114,-2.9 116,-0.4 -2,-0.6 2,-0.2 -0.727 12.1-135.2 -88.1 116.8 12.4 36.5 17.8 176 180 A G + 0 0 1 -90,-1.2 6,-0.2 -2,-0.8 5,-0.1 -0.430 30.7 169.4 -68.8 132.2 11.6 33.3 19.8 177 181 A L - 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