==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-AUG-03 1Q6F . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR A.HIRATA,M.ADACHI,A.SEKINE,Y.N.KANG,S.UTSUMI,B.MIKAMI . 490 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 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 . 3 0.6 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 . 33 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 27.3 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 3 1 1 0 0 2 0 1 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 0 5 1 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 . 3 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 6 A N > 0 0 131 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 140.1 -7.4 64.1 14.3 2 7 A M G > + 0 0 46 1,-0.3 3,-3.4 2,-0.2 4,-0.3 0.787 360.0 78.5 -49.8 -34.5 -8.8 61.0 15.9 3 8 A L G > S+ 0 0 30 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.750 81.4 68.1 -50.5 -25.2 -6.7 58.8 13.6 4 9 A L G < S+ 0 0 61 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.688 95.0 55.6 -69.2 -17.7 -3.8 59.6 15.9 5 10 A N G < S+ 0 0 1 -3,-3.4 2,-0.3 -4,-0.2 -1,-0.3 0.409 81.8 124.5 -93.1 0.1 -5.5 57.5 18.6 6 11 A Y < - 0 0 6 -3,-1.4 431,-0.2 -4,-0.3 430,-0.1 -0.444 41.0-169.4 -67.4 122.8 -5.7 54.5 16.3 7 12 A V - 0 0 2 429,-2.2 403,-0.1 -2,-0.3 431,-0.1 -0.967 23.1-123.1-115.6 121.1 -4.1 51.3 17.6 8 13 A P - 0 0 0 0, 0.0 403,-1.8 0, 0.0 2,-0.4 -0.252 18.2-146.7 -65.2 148.9 -3.7 48.4 15.1 9 14 A V E -a 411 0A 0 32,-0.2 34,-1.6 401,-0.2 35,-1.2 -0.967 14.8-175.4-120.5 128.9 -5.2 45.0 15.7 10 15 A Y E -ab 412 44A 14 401,-2.6 403,-3.6 -2,-0.4 2,-0.4 -0.806 12.3-144.8-117.9 159.6 -3.6 41.7 14.5 11 16 A V E -ab 413 45A 0 33,-1.7 35,-2.2 -2,-0.3 2,-0.3 -0.989 16.3-124.8-130.0 133.9 -4.8 38.1 14.7 12 17 A M E - b 0 46A 8 401,-2.8 404,-2.3 -2,-0.4 403,-0.3 -0.568 26.7-130.2 -75.1 134.7 -2.8 34.9 15.3 13 18 A L - 0 0 3 33,-2.8 35,-0.1 -2,-0.3 3,-0.1 -0.388 42.0 -76.9 -77.6 162.1 -3.2 32.3 12.6 14 19 A P > - 0 0 40 0, 0.0 3,-1.2 0, 0.0 2,-0.4 -0.216 51.2-103.3 -58.7 150.0 -4.1 28.7 13.6 15 20 A L T 3 S+ 0 0 22 1,-0.2 4,-0.0 2,-0.1 32,-0.0 -0.618 108.2 23.3 -74.6 129.4 -1.2 26.6 15.0 16 21 A G T 3 + 0 0 14 -2,-0.4 -1,-0.2 2,-0.1 9,-0.2 0.641 67.4 148.7 91.3 13.4 -0.1 24.2 12.4 17 22 A V S < S+ 0 0 20 -3,-1.2 2,-0.5 1,-0.2 8,-0.5 0.793 84.5 36.6 -52.1 -26.7 -1.3 26.1 9.3 18 23 A V S S- 0 0 1 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.987 104.2-131.5-125.2 115.9 1.7 24.4 7.7 19 24 A N > - 0 0 23 4,-2.0 3,-2.5 -2,-0.5 4,-0.4 -0.012 24.4 -94.9 -67.0 172.3 2.1 20.9 9.1 20 25 A V T 3 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.2 80,-0.0 0.592 124.0 63.1 -62.7 -12.1 5.1 19.1 10.5 21 26 A D T 3 S- 0 0 126 2,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.340 119.7-111.6 -93.3 6.4 5.6 17.6 7.0 22 27 A N S < S+ 0 0 21 -3,-2.5 2,-0.4 1,-0.2 44,-0.3 0.936 72.9 136.1 62.3 52.1 6.2 21.1 5.7 23 28 A V - 0 0 74 -4,-0.4 -4,-2.0 43,-0.1 2,-1.6 -0.997 58.9-133.0-131.6 129.0 3.0 21.3 3.7 24 29 A F - 0 0 25 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.671 34.5-172.5 -81.5 91.2 0.5 24.2 3.5 25 30 A E + 0 0 124 -2,-1.6 -1,-0.2 -8,-0.5 -7,-0.1 0.904 60.6 22.7 -53.7 -63.7 -2.6 22.0 4.0 26 31 A D > + 0 0 95 -9,-0.4 4,-2.4 1,-0.2 5,-0.2 -0.590 57.2 156.6-119.2 76.0 -5.7 24.1 3.5 27 32 A P H > S+ 0 0 46 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.920 80.5 49.6 -59.2 -46.8 -5.2 27.2 1.4 28 33 A D H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.915 111.9 48.1 -60.9 -45.1 -8.8 27.5 0.4 29 34 A G H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 114.4 45.5 -62.3 -44.7 -10.1 27.1 3.9 30 35 A L H X S+ 0 0 7 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.898 106.9 60.2 -66.5 -39.7 -7.7 29.7 5.2 31 36 A K H X S+ 0 0 100 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.934 104.4 48.4 -54.7 -49.6 -8.4 32.1 2.4 32 37 A E H X S+ 0 0 115 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.930 114.1 46.5 -57.6 -46.5 -12.1 32.3 3.3 33 38 A Q H X S+ 0 0 23 -4,-1.6 4,-1.6 1,-0.2 3,-0.3 0.936 112.2 50.5 -60.8 -46.9 -11.2 32.9 7.0 34 39 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.891 106.9 54.1 -59.0 -41.7 -8.6 35.6 6.0 35 40 A L H X S+ 0 0 84 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.826 106.5 52.5 -64.0 -31.3 -11.1 37.4 3.7 36 41 A Q H X S+ 0 0 83 -4,-1.4 4,-1.3 -3,-0.3 -1,-0.2 0.852 108.1 51.1 -72.3 -32.9 -13.5 37.7 6.6 37 42 A L H X>S+ 0 0 0 -4,-1.6 5,-1.8 2,-0.2 4,-0.6 0.930 107.9 53.0 -66.4 -44.0 -10.8 39.2 8.7 38 43 A R H ><5S+ 0 0 48 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.904 108.9 49.3 -57.1 -43.0 -10.1 41.7 6.0 39 44 A A H 3<5S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.786 104.6 58.8 -69.8 -26.4 -13.8 42.7 5.9 40 45 A A H 3<5S- 0 0 14 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.564 119.2-109.0 -78.6 -9.6 -13.8 43.1 9.7 41 46 A G T <<5 + 0 0 9 -3,-1.1 -32,-0.2 -4,-0.6 402,-0.2 0.553 58.1 163.5 94.6 8.2 -11.0 45.7 9.5 42 47 A V < - 0 0 0 -5,-1.8 -1,-0.2 1,-0.1 -32,-0.1 -0.374 31.8-147.6 -62.7 134.8 -8.2 43.7 11.0 43 48 A D - 0 0 6 -34,-1.6 37,-1.4 1,-0.2 2,-0.3 0.860 62.3 -35.7 -73.9 -38.1 -4.8 45.2 10.2 44 49 A G E -bc 10 80A 0 -35,-1.2 -33,-1.7 35,-0.2 2,-0.3 -0.958 53.1-107.0-167.9-174.6 -2.8 42.0 10.0 45 50 A V E -bc 11 81A 0 35,-2.3 37,-2.3 -2,-0.3 2,-0.4 -0.908 17.0-139.0-131.5 158.4 -2.0 38.5 11.2 46 51 A M E -bc 12 82A 2 -35,-2.2 -33,-2.8 -2,-0.3 2,-0.3 -0.931 22.6-179.1-117.9 140.7 0.8 36.7 13.2 47 52 A V E - c 0 83A 6 35,-2.1 37,-2.5 -2,-0.4 2,-0.4 -0.998 27.7-120.9-144.6 146.5 2.3 33.3 12.4 48 53 A D E - c 0 84A 23 -2,-0.3 2,-0.8 35,-0.2 37,-0.1 -0.690 14.6-159.0 -82.3 130.2 4.9 30.9 13.8 49 54 A V E - c 0 85A 1 35,-2.3 37,-1.1 -2,-0.4 2,-0.3 -0.840 27.3-142.9-109.1 88.8 7.7 30.1 11.4 50 55 A W E >> - c 0 86A 7 -2,-0.8 4,-2.2 1,-0.1 3,-1.3 -0.363 18.4-158.8 -63.7 119.0 8.8 26.8 13.0 51 56 A W H 3> S+ 0 0 1 35,-2.7 4,-2.0 -2,-0.3 -1,-0.1 0.868 94.5 60.6 -60.5 -38.5 12.4 25.9 13.2 52 57 A G H 34 S+ 0 0 3 34,-0.4 52,-0.3 36,-0.3 -1,-0.3 0.660 110.2 41.1 -65.7 -17.3 11.5 22.2 13.6 53 58 A I H X4 S+ 0 0 3 -3,-1.3 3,-0.8 47,-0.1 4,-0.2 0.866 117.2 42.9 -95.9 -46.8 9.7 22.3 10.3 54 59 A I H 3< S+ 0 0 2 -4,-2.2 9,-1.0 1,-0.2 3,-0.2 0.882 122.5 33.7 -69.3 -43.6 12.1 24.3 8.1 55 60 A E T 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 6,-0.2 -0.162 83.9 120.1-108.0 41.2 15.5 22.9 9.2 56 61 A L < + 0 0 70 -3,-0.8 49,-0.6 1,-0.2 -1,-0.2 0.941 63.6 57.0 -67.8 -53.9 14.3 19.3 9.8 57 62 A K S S- 0 0 155 4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.814 119.5 -60.7 -50.5 -42.5 16.4 17.3 7.3 58 63 A G S > S- 0 0 7 3,-0.3 3,-2.4 46,-0.0 -1,-0.1 -0.969 80.9 -25.7 171.9 177.9 19.8 18.5 8.7 59 64 A P T 3 S- 0 0 53 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.265 129.0 -6.9 -53.0 120.2 22.2 21.4 9.4 60 65 A K T 3 S+ 0 0 123 1,-0.2 2,-1.1 -5,-0.1 -5,-0.0 0.707 92.6 135.5 64.1 24.0 21.4 24.3 7.0 61 66 A Q < + 0 0 108 -3,-2.4 -4,-0.4 -6,-0.2 -3,-0.3 -0.609 34.3 174.3 -98.2 68.6 18.9 22.1 5.1 62 67 A Y - 0 0 53 -2,-1.1 2,-0.4 -7,-0.1 -7,-0.2 -0.571 21.9-172.2 -83.3 141.8 16.2 24.7 4.8 63 68 A D + 0 0 45 -9,-1.0 4,-0.2 -2,-0.3 3,-0.1 -0.933 12.0 167.3-132.1 105.1 13.0 24.3 2.8 64 69 A W > + 0 0 12 -2,-0.4 4,-1.8 1,-0.1 3,-0.1 0.430 45.1 105.0 -98.1 -0.8 11.0 27.6 2.7 65 70 A R H > S+ 0 0 182 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.883 78.4 45.7 -49.0 -57.3 8.6 26.5 -0.0 66 71 A A H > S+ 0 0 10 -44,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.900 113.6 50.9 -57.5 -41.8 5.4 26.0 2.0 67 72 A Y H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.834 104.9 56.9 -67.5 -28.8 5.9 29.2 3.9 68 73 A R H X S+ 0 0 82 -4,-1.8 4,-2.1 -3,-0.3 -1,-0.2 0.920 106.3 50.6 -66.8 -39.4 6.4 31.2 0.7 69 74 A S H X S+ 0 0 68 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.872 110.4 49.7 -63.8 -37.5 2.9 29.9 -0.4 70 75 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.936 110.7 48.3 -66.7 -47.8 1.4 31.1 2.9 71 76 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.867 108.7 55.8 -60.8 -36.2 2.9 34.5 2.7 72 77 A Q H X S+ 0 0 73 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.938 109.0 46.1 -61.8 -47.1 1.7 34.8 -0.9 73 78 A L H X S+ 0 0 13 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.926 110.4 52.4 -62.0 -46.0 -1.9 34.1 0.2 74 79 A V H <>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 3,-0.3 0.907 110.1 49.6 -58.0 -41.6 -1.7 36.6 3.1 75 80 A Q H ><5S+ 0 0 69 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.868 106.8 54.8 -65.6 -36.6 -0.5 39.3 0.7 76 81 A E H 3<5S+ 0 0 125 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.796 104.3 55.7 -67.5 -26.9 -3.3 38.6 -1.7 77 82 A C T 3<5S- 0 0 8 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.348 116.8-112.8 -87.8 6.2 -5.9 39.1 1.1 78 83 A G T < 5S+ 0 0 40 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.867 71.7 129.2 67.4 40.5 -4.5 42.6 1.9 79 84 A L < - 0 0 6 -5,-1.5 -35,-0.2 -35,-0.0 -1,-0.2 -0.905 51.4-131.3-124.8 152.0 -3.1 41.9 5.3 80 85 A T E -c 44 0A 37 -37,-1.4 -35,-2.3 -2,-0.3 2,-0.4 -0.527 26.2-128.1 -94.2 169.5 0.3 42.6 6.8 81 86 A L E -cd 45 169A 1 87,-2.8 89,-2.8 -37,-0.2 90,-1.2 -0.966 16.9-162.5-132.1 138.0 2.3 40.0 8.7 82 87 A Q E -cd 46 171A 2 -37,-2.3 -35,-2.1 -2,-0.4 2,-0.5 -0.965 27.0-158.2-108.5 113.9 4.1 39.6 12.0 83 88 A A E -cd 47 172A 1 88,-2.4 90,-2.7 -2,-0.6 2,-0.5 -0.857 4.3-151.9-104.1 129.3 6.5 36.7 11.7 84 89 A I E -cd 48 173A 8 -37,-2.5 -35,-2.3 -2,-0.5 2,-1.7 -0.842 12.8-142.2 -99.7 126.3 7.8 34.7 14.7 85 90 A M E -cd 49 174A 0 88,-3.4 90,-1.8 -2,-0.5 2,-1.2 -0.704 29.9-161.6 -83.8 88.1 11.2 33.0 14.4 86 91 A S E +c 50 0A 0 -2,-1.7 -35,-2.7 -37,-1.1 -34,-0.4 -0.626 26.7 165.7 -81.5 94.2 9.9 30.1 16.5 87 92 A F + 0 0 0 -2,-1.2 43,-0.3 -37,-0.2 2,-0.2 0.116 54.7 84.3 -93.3 21.7 12.9 28.2 17.8 88 93 A H S S- 0 0 9 41,-0.1 -36,-0.3 13,-0.1 2,-0.3 -0.724 81.7 -99.1-120.8 170.6 10.7 26.3 20.3 89 94 A Q - 0 0 45 39,-1.8 2,-0.5 -2,-0.2 90,-0.4 -0.655 25.1-142.4 -90.1 142.1 8.5 23.2 20.3 90 95 A C B S+J 100 0B 1 10,-2.4 10,-2.8 -2,-0.3 -40,-0.0 -0.897 73.3 57.0-102.8 130.6 4.7 23.3 20.0 91 96 A G S S+ 0 0 21 -2,-0.5 -1,-0.1 8,-0.2 4,-0.1 0.028 82.0 68.6 147.7 -39.3 2.9 20.8 22.1 92 97 A G S S+ 0 0 16 -3,-0.2 97,-0.7 2,-0.1 98,-0.6 0.386 85.3 77.0 -95.7 5.6 3.5 21.0 25.8 93 98 A N S > S- 0 0 19 96,-0.1 3,-2.1 95,-0.1 -2,-0.1 -0.718 94.9 -70.0-114.0 165.1 1.9 24.4 26.7 94 99 A V T 3 S+ 0 0 95 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.230 118.9 11.9 -54.0 127.9 -1.7 25.5 27.2 95 100 A G T 3 S+ 0 0 56 1,-0.2 2,-1.1 -4,-0.1 -1,-0.3 0.217 84.3 138.7 90.1 -16.2 -3.6 25.6 23.9 96 101 A D < + 0 0 38 -3,-2.1 -1,-0.2 1,-0.2 -6,-0.0 -0.501 18.6 168.0 -67.2 100.5 -1.0 23.6 22.0 97 102 A I + 0 0 151 -2,-1.1 2,-0.3 -3,-0.1 -1,-0.2 0.344 59.3 53.3 -96.3 5.1 -3.2 21.3 19.9 98 103 A V S S- 0 0 41 2,-0.0 2,-0.6 -79,-0.0 -82,-0.1 -0.979 77.4-125.8-139.8 151.0 -0.5 20.2 17.6 99 104 A N + 0 0 120 -2,-0.3 -8,-0.2 -8,-0.1 -79,-0.1 -0.874 31.8 162.7-104.4 114.8 3.0 18.6 18.1 100 105 A I B -J 90 0B 1 -10,-2.8 -10,-2.4 -2,-0.6 -48,-0.2 -0.876 18.3-165.3-131.3 97.4 5.9 20.4 16.4 101 106 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.187 30.1 -96.9 -74.2 170.5 9.3 19.3 17.9 102 107 A I S S- 0 0 3 25,-0.4 5,-0.1 1,-0.2 -50,-0.1 -0.379 75.2 -49.3 -78.5 169.5 12.6 21.2 17.3 103 108 A P >> - 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.084 49.4-133.0 -44.8 133.1 14.8 19.7 14.5 104 109 A Q H 3> S+ 0 0 95 -52,-0.3 4,-2.1 1,-0.3 5,-0.1 0.839 104.7 59.7 -57.1 -36.8 15.2 15.9 14.8 105 110 A W H 3> S+ 0 0 18 -49,-0.6 4,-1.1 1,-0.2 -1,-0.3 0.814 104.8 49.1 -65.5 -28.3 19.0 16.2 14.2 106 111 A V H <> S+ 0 0 0 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.882 109.0 53.3 -75.4 -36.9 19.3 18.4 17.2 107 112 A L H X S+ 0 0 28 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.857 103.1 58.2 -63.6 -35.6 17.3 15.9 19.2 108 113 A D H >X S+ 0 0 92 -4,-2.1 4,-0.7 1,-0.2 3,-0.6 0.878 105.7 48.8 -62.5 -37.7 19.8 13.2 18.0 109 114 A I H >X S+ 0 0 23 -4,-1.1 3,-1.0 1,-0.2 4,-0.7 0.897 104.4 59.9 -68.9 -37.3 22.6 15.2 19.6 110 115 A G H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.690 93.9 67.1 -63.2 -17.9 20.6 15.5 22.8 111 116 A E H << S+ 0 0 115 -4,-0.8 3,-0.3 -3,-0.6 -1,-0.2 0.871 110.2 32.7 -70.0 -37.7 20.6 11.7 23.0 112 117 A S H << S+ 0 0 107 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.396 132.1 34.3 -98.8 0.3 24.3 11.6 23.6 113 118 A N >< + 0 0 30 -4,-0.7 3,-1.0 -5,-0.1 -1,-0.3 -0.612 61.5 176.8-154.9 85.0 24.3 14.8 25.6 114 119 A H G > + 0 0 85 -3,-0.3 3,-1.4 1,-0.3 -4,-0.1 0.600 68.8 83.5 -67.3 -11.8 21.2 15.4 27.6 115 120 A D G 3 + 0 0 32 1,-0.3 92,-0.4 90,-0.1 -1,-0.3 0.362 67.8 79.4 -78.3 8.6 22.6 18.6 29.0 116 121 A I G < S+ 0 0 0 -3,-1.0 15,-2.0 -6,-0.1 2,-0.3 0.538 87.1 74.7 -88.2 -6.3 21.6 20.7 26.0 117 122 A F E < S-K 130 0C 0 -3,-1.4 13,-0.2 13,-0.2 10,-0.1 -0.760 97.3 -95.1-107.0 151.7 18.1 20.7 27.5 118 123 A Y E -K 126 0C 1 11,-0.8 8,-2.8 8,-0.7 2,-0.4 -0.408 48.6-162.5 -61.2 137.2 16.7 22.7 30.5 119 124 A T E -K 125 0C 3 83,-0.3 85,-2.1 6,-0.2 86,-0.3 -0.981 10.9-145.7-131.6 137.2 16.9 20.5 33.5 120 125 A N > - 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0 0 0 -15,-2.0 3,-1.7 -2,-0.4 -1,-0.1 -0.148 18.7-122.8 -53.6 146.4 19.2 25.7 27.5 132 137 A V G > S+ 0 0 12 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.706 105.7 80.0 -62.9 -17.8 20.9 29.2 27.6 133 138 A G G 3 S+ 0 0 18 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.740 93.4 43.7 -63.2 -24.2 23.9 27.2 28.8 134 139 A V G X S+ 0 0 0 -3,-1.7 3,-1.5 -18,-0.2 11,-1.4 0.249 75.9 113.8-106.8 15.5 24.8 26.1 25.2 135 140 A D T < S+ 0 0 3 -3,-1.5 11,-2.3 1,-0.3 12,-0.4 0.881 95.1 22.6 -48.6 -44.3 24.2 29.5 23.6 136 141 A N T 3 S+ 0 0 94 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.016 94.1 113.8-117.1 28.6 28.0 29.7 22.8 137 142 A E < - 0 0 77 -3,-1.5 2,-2.0 1,-0.0 3,-0.4 -0.901 60.4-143.0-101.6 120.0 29.0 26.0 22.9 138 143 A P + 0 0 80 0, 0.0 4,-0.4 0, 0.0 6,-0.2 -0.286 64.5 117.8 -79.0 56.3 30.2 24.8 19.5 139 144 A I + 0 0 51 -2,-2.0 2,-1.0 -5,-0.2 5,-0.2 0.371 43.1 89.3-104.5 3.2 28.6 21.3 19.9 140 145 A F B > S-L 143 0D 0 3,-2.3 3,-1.9 -3,-0.4 -1,-0.1 -0.652 124.3 -59.1-103.6 77.4 26.1 21.3 17.1 141 146 A H T 3 S- 0 0 135 -2,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.912 115.0 -38.8 51.3 45.9 28.1 19.9 14.3 142 147 A G T 3 S+ 0 0 59 -4,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.095 122.5 98.4 96.4 -23.7 30.5 22.8 14.6 143 148 A R B < -L 140 0D 24 -3,-1.9 -3,-2.3 -6,-0.0 -1,-0.3 -0.619 64.8-131.1-100.3 158.6 28.0 25.5 15.4 144 149 A T > - 0 0 14 -6,-0.2 4,-1.6 -2,-0.2 -8,-0.2 -0.562 34.1-105.5 -95.6 167.7 26.8 27.1 18.6 145 150 A A H > S+ 0 0 0 -11,-1.4 4,-2.0 -8,-0.3 3,-0.2 0.921 122.0 51.0 -61.3 -44.2 23.1 27.5 19.4 146 151 A I H > S+ 0 0 11 -11,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.860 107.4 53.9 -62.3 -34.8 23.2 31.3 18.7 147 152 A E H > S+ 0 0 86 -12,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.843 106.2 53.3 -68.0 -32.8 24.9 30.6 15.4 148 153 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.2 -2,-0.2 0.920 111.3 44.6 -66.0 -45.0 22.1 28.2 14.5 149 154 A Y H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.886 113.7 52.1 -65.9 -39.0 19.5 30.9 15.2 150 155 A S H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.953 109.9 45.9 -62.6 -53.1 21.6 33.5 13.4 151 156 A D H X S+ 0 0 38 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.867 110.7 56.1 -58.4 -37.8 21.9 31.4 10.2 152 157 A Y H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.926 109.2 44.4 -61.3 -47.1 18.2 30.6 10.3 153 158 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.876 111.7 52.5 -68.3 -37.4 17.2 34.3 10.3 154 159 A K H X S+ 0 0 92 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.934 110.5 48.2 -63.1 -44.9 19.7 35.3 7.6 155 160 A S H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.892 111.2 51.0 -61.5 -40.6 18.3 32.5 5.3 156 161 A F H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.950 110.2 50.3 -60.3 -49.2 14.8 33.7 6.1 157 162 A R H < S+ 0 0 72 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.902 115.8 40.8 -55.9 -46.9 15.8 37.3 5.2 158 163 A E H >< S+ 0 0 130 -4,-2.5 3,-0.8 1,-0.2 4,-0.2 0.889 117.0 46.0 -73.3 -41.0 17.3 36.3 1.9 159 164 A N H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.698 119.7 40.5 -76.5 -19.4 14.7 33.7 0.8 160 165 A M T >X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 3,-0.6 0.093 79.2 120.6-112.0 19.6 11.8 36.0 1.7 161 166 A S H <> S+ 0 0 49 -3,-0.8 4,-2.5 1,-0.2 5,-0.2 0.849 70.7 55.0 -53.1 -40.6 13.5 39.2 0.3 162 167 A D H 3> S+ 0 0 64 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.879 110.0 45.8 -64.4 -36.5 10.7 39.8 -2.2 163 168 A F H <4>S+ 0 0 3 -3,-0.6 5,-2.0 2,-0.2 6,-0.6 0.875 112.7 50.9 -73.4 -35.6 8.0 39.8 0.6 164 169 A L H ><5S+ 0 0 10 -4,-2.2 3,-1.0 1,-0.2 120,-0.3 0.905 111.2 47.8 -66.3 -41.8 10.1 42.0 2.8 165 170 A E H 3<5S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.821 107.1 56.7 -68.8 -31.4 10.7 44.6 0.1 166 171 A S T 3<5S- 0 0 68 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.484 115.2-115.2 -79.1 -3.5 7.0 44.6 -0.8 167 172 A G T < 5S+ 0 0 35 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.655 78.1 126.4 80.4 16.2 6.1 45.6 2.8 168 173 A L < + 0 0 7 -5,-2.0 -87,-2.8 -88,-0.1 2,-0.6 0.946 62.3 62.6 -70.0 -48.9 4.2 42.4 3.7 169 174 A I E +d 81 0A 1 -6,-0.6 -87,-0.2 -89,-0.2 -2,-0.1 -0.707 56.6 166.4 -85.1 120.5 6.3 41.6 6.8 170 175 A I E + 0 0 24 -89,-2.8 116,-1.5 -2,-0.6 2,-0.4 0.805 61.5 29.7-100.5 -41.5 5.9 44.3 9.4 171 176 A D E -de 82 286A 5 -90,-1.2 -88,-2.4 114,-0.2 2,-0.6 -0.956 58.0-154.1-127.4 144.3 7.3 42.8 12.6 172 177 A I E -de 83 287A 0 114,-2.7 116,-1.7 -2,-0.4 2,-0.5 -0.941 14.9-163.9-118.3 105.3 10.0 40.2 13.2 173 178 A Y E -de 84 288A 2 -90,-2.7 -88,-3.4 -2,-0.6 2,-0.7 -0.774 7.5-150.8 -88.9 127.1 9.4 38.4 16.5 174 179 A V E -d 85 0A 2 114,-2.4 116,-0.3 -2,-0.5 -88,-0.1 -0.879 13.3-132.9-105.1 114.7 12.4 36.5 17.8 175 180 A G + 0 0 1 -90,-1.8 6,-0.2 -2,-0.7 5,-0.1 -0.409 26.4 177.0 -61.4 135.3 11.6 33.5 19.9 176 181 A L - 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