==== 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 FLAVOENZYME 29-MAR-99 1CHU . COMPND 2 MOLECULE: PROTEIN (L-ASPARTATE OXIDASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.MATTEVI . 478 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 0 1 2 0 2 0 1 0 0 0 1 1 0 0 0 0 2 1 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 1 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 PARALLEL BRIDGES PER LADDER . 5 2 2 0 0 2 1 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 2 0 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 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 N 0 0 163 0, 0.0 2,-0.2 0, 0.0 366,-0.0 0.000 360.0 360.0 360.0 117.7 21.3 71.6 36.0 2 3 A T B -A 367 0A 78 365,-3.7 365,-1.8 1,-0.0 3,-0.0 -0.654 360.0 -81.6-125.2 171.4 18.7 69.2 37.3 3 4 A L - 0 0 133 -2,-0.2 141,-0.2 363,-0.2 2,-0.1 -0.615 55.2-115.6 -71.3 132.5 18.2 66.3 39.7 4 5 A P - 0 0 28 0, 0.0 141,-0.1 0, 0.0 -1,-0.1 -0.467 10.9-132.0 -75.2 137.1 19.4 63.1 38.0 5 6 A E S S+ 0 0 85 139,-0.5 2,-0.3 -2,-0.1 140,-0.2 0.677 91.5 22.5 -56.0 -27.3 16.8 60.5 37.3 6 7 A H E +b 145 0B 21 138,-1.5 140,-1.4 2,-0.0 2,-0.3 -0.985 66.1 179.6-137.2 152.4 19.1 57.8 38.8 7 8 A S E +b 146 0B 80 -2,-0.3 2,-0.3 138,-0.2 140,-0.2 -0.985 12.2 147.5-155.3 143.2 21.9 57.9 41.3 8 9 A C - 0 0 12 138,-1.5 140,-0.3 -2,-0.3 24,-0.2 -0.944 52.3-106.5-153.2-173.0 24.1 55.2 42.8 9 10 A D S S+ 0 0 35 22,-2.6 140,-1.7 -2,-0.3 139,-1.6 0.878 104.7 26.1 -87.3 -50.1 27.7 54.6 44.0 10 11 A V E -ef 32 149C 0 21,-1.9 23,-2.7 138,-0.2 2,-0.6 -0.970 64.8-161.1-122.9 120.4 28.8 52.5 41.1 11 12 A L E -ef 33 150C 0 138,-2.3 140,-3.2 -2,-0.5 2,-0.6 -0.861 10.7-166.3 -92.8 116.2 27.5 52.6 37.6 12 13 A I E -ef 34 151C 0 21,-3.5 23,-2.9 -2,-0.6 2,-0.8 -0.955 6.4-157.0-108.4 115.5 28.4 49.4 35.6 13 14 A I E +ef 35 152C 5 138,-2.9 140,-2.7 -2,-0.6 23,-0.1 -0.883 66.1 27.0 -95.1 105.7 27.8 49.6 31.8 14 15 A G - 0 0 11 21,-1.8 21,-0.2 -2,-0.8 140,-0.2 -0.293 64.3-136.5 118.3 157.9 27.4 46.0 30.5 15 16 A S + 0 0 32 4,-0.1 79,-0.1 -2,-0.1 139,-0.1 0.035 57.2 108.8-146.8 43.9 26.2 42.8 32.0 16 17 A G S > S- 0 0 36 137,-0.6 4,-2.8 77,-0.1 5,-0.4 -0.180 92.7 -63.5 -99.9-161.8 28.5 39.8 31.1 17 18 A A H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.849 134.6 50.2 -50.7 -43.0 30.8 38.0 33.5 18 19 A A H > S+ 0 0 5 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.967 114.8 39.4 -65.7 -55.9 33.0 41.1 34.0 19 20 A G H > S+ 0 0 0 134,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.908 121.3 43.1 -68.0 -39.4 30.2 43.6 34.8 20 21 A L H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.853 112.7 51.6 -73.0 -31.6 28.1 41.2 37.0 21 22 A S H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.4 -3,-0.2 0.986 114.7 45.2 -71.0 -39.6 31.1 39.7 38.9 22 23 A L H >X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.4 3,-1.1 0.958 112.0 50.7 -58.8 -55.4 32.2 43.3 39.7 23 24 A A H 3X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.3 3,-0.3 0.896 112.0 47.8 -52.4 -45.0 28.6 44.3 40.7 24 25 A L H 3< S+ 0 0 13 -4,-2.4 4,-0.4 1,-0.2 -1,-0.3 0.786 108.3 54.6 -68.7 -23.7 28.3 41.3 43.0 25 26 A R H << S+ 0 0 64 -4,-1.7 -1,-0.2 -3,-1.1 -2,-0.2 0.752 117.9 35.2 -81.2 -27.9 31.7 42.0 44.6 26 27 A L H X S+ 0 0 2 -4,-1.7 4,-0.9 -3,-0.3 3,-0.5 0.542 95.2 87.1 -93.0 -20.7 30.7 45.6 45.5 27 28 A A T < S+ 0 0 0 -4,-1.4 3,-0.4 -5,-0.3 -2,-0.1 0.801 78.0 62.1 -60.5 -38.4 26.9 45.1 46.3 28 29 A D T 4 S+ 0 0 125 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.921 122.0 23.2 -61.6 -29.8 27.2 44.2 50.0 29 30 A Q T 4 S+ 0 0 141 -3,-0.5 2,-0.3 -4,-0.2 -1,-0.2 0.356 123.4 42.0-112.2 0.0 28.7 47.6 50.7 30 31 A H S < S- 0 0 14 -4,-0.9 2,-0.6 -3,-0.4 327,-0.0 -0.985 76.7-107.8-141.7 169.9 27.6 49.9 47.9 31 32 A Q - 0 0 100 -2,-0.3 -22,-2.6 73,-0.1 -21,-1.9 -0.853 42.4-168.9-100.0 110.4 24.6 50.8 45.7 32 33 A V E -eg 10 104C 2 71,-2.4 73,-2.8 -2,-0.6 2,-0.5 -0.886 15.1-162.1-104.4 137.5 25.3 49.5 42.2 33 34 A I E -eg 11 105C 7 -23,-2.7 -21,-3.5 -2,-0.4 2,-0.5 -0.965 9.7-157.7-113.3 124.8 23.4 50.1 38.9 34 35 A V E -eg 12 106C 0 71,-2.3 73,-2.6 -2,-0.5 2,-0.6 -0.919 7.1-147.8 -99.5 124.7 23.9 47.7 36.1 35 36 A L E -eg 13 107C 6 -23,-2.9 -21,-1.8 -2,-0.5 2,-0.5 -0.857 17.2-167.3 -93.6 116.8 23.1 49.0 32.6 36 37 A S - 0 0 2 71,-2.7 74,-2.9 -2,-0.6 4,-0.1 -0.931 18.9-148.0-111.2 128.4 21.8 46.1 30.4 37 38 A K S S- 0 0 53 -2,-0.5 -1,-0.1 72,-0.2 3,-0.1 0.896 81.6 -9.7 -65.0 -50.9 21.5 46.4 26.6 38 39 A G S S- 0 0 22 1,-0.3 71,-1.8 71,-0.1 72,-0.3 -0.117 121.9 -25.7-114.0-141.1 18.4 44.2 26.2 39 40 A P > - 0 0 73 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 -0.600 63.5-129.9 -60.7 133.7 16.7 41.9 28.7 40 41 A V T 3 S+ 0 0 14 -2,-0.3 55,-0.1 1,-0.3 -3,-0.1 0.797 101.5 54.0 -67.7 -22.2 19.3 41.0 31.2 41 42 A T T 3 0 0 70 54,-0.1 -1,-0.3 55,-0.0 54,-0.1 0.693 360.0 360.0 -87.5 -14.4 18.5 37.4 30.9 42 43 A E < 0 0 197 -3,-1.1 -4,-0.1 0, 0.0 0, 0.0 -0.257 360.0 360.0 -98.8 360.0 18.7 36.6 27.1 43 ! 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 44 57 A F 0 0 65 0, 0.0 34,-0.2 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 26.1 46.0 26.8 38.6 45 58 A D + 0 0 101 33,-0.0 2,-0.2 4,-0.0 33,-0.0 0.986 360.0 44.5 -84.9 -54.4 46.5 24.4 41.5 46 59 A E S > S- 0 0 136 1,-0.1 4,-1.1 4,-0.0 3,-0.1 -0.511 81.7-122.5 -88.7 156.6 50.3 23.6 41.2 47 60 A T H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.751 109.4 61.6 -59.8 -43.0 53.0 26.2 40.6 48 61 A D H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.975 102.0 57.5 -56.2 -37.9 54.4 24.5 37.5 49 62 A S H > S+ 0 0 64 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.871 101.5 50.3 -62.6 -43.1 50.9 25.2 36.0 50 63 A I H X S+ 0 0 49 -4,-1.1 4,-2.3 1,-0.2 -1,-0.3 0.908 110.4 53.3 -57.8 -38.5 50.9 28.9 36.5 51 64 A D H X S+ 0 0 80 -4,-1.5 4,-1.7 -3,-0.4 -2,-0.2 0.903 107.6 49.0 -65.8 -40.1 54.2 29.1 34.9 52 65 A S H X S+ 0 0 60 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.850 107.6 55.4 -64.2 -40.1 53.1 27.2 31.9 53 66 A H H X S+ 0 0 26 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.879 108.1 48.1 -60.7 -47.2 50.0 29.5 31.5 54 67 A V H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.902 113.8 47.7 -61.5 -40.6 52.2 32.6 31.4 55 68 A E H X S+ 0 0 104 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.940 111.6 47.6 -68.4 -55.7 54.5 31.0 28.8 56 69 A D H X S+ 0 0 83 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.880 112.5 52.3 -53.5 -37.5 51.7 29.7 26.5 57 70 A T H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.929 109.1 48.4 -65.5 -44.0 50.1 33.2 26.8 58 71 A L H <>S+ 0 0 38 -4,-2.2 5,-1.2 2,-0.2 7,-0.3 0.898 112.7 49.8 -61.9 -39.9 53.4 34.9 25.8 59 72 A I H ><5S+ 0 0 130 -4,-2.4 3,-2.6 2,-0.2 -2,-0.2 0.964 112.2 44.1 -59.5 -60.3 53.7 32.5 22.8 60 73 A A H 3<5S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.815 106.8 64.5 -66.7 -16.1 50.2 33.0 21.5 61 74 A G T ><5S- 0 0 0 -4,-2.4 273,-2.0 -5,-0.2 3,-1.3 0.578 102.5-138.2 -78.0 -5.1 50.8 36.7 22.1 62 75 A A T < 5 - 0 0 34 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.797 61.6 -48.1 54.4 32.9 53.5 36.6 19.4 63 76 A G T 3 - 0 0 76 264,-2.4 4,-2.2 1,-0.2 3,-0.5 -0.910 24.4-155.1 -81.1 108.3 53.1 43.0 28.6 67 80 A R H > S+ 0 0 114 -2,-0.9 4,-2.1 1,-0.2 5,-0.2 0.772 89.5 60.2 -65.3 -24.1 54.5 40.1 30.8 68 81 A H H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 108.9 45.0 -68.8 -37.5 53.6 42.0 34.1 69 82 A A H > S+ 0 0 2 -3,-0.5 4,-2.5 1,-0.3 5,-0.3 0.948 112.6 50.9 -70.7 -37.8 49.9 41.9 32.9 70 83 A V H X S+ 0 0 1 -4,-2.2 4,-2.3 260,-0.3 -1,-0.3 0.815 114.8 43.2 -59.4 -46.6 50.2 38.3 31.9 71 84 A E H X S+ 0 0 86 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.882 109.2 57.2 -71.6 -37.3 51.7 37.4 35.4 72 85 A F H X S+ 0 0 32 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.948 113.4 40.7 -55.3 -46.7 49.2 39.6 37.2 73 86 A V H >X S+ 0 0 1 -4,-2.5 3,-0.9 2,-0.2 4,-0.7 0.919 114.4 50.2 -71.1 -46.3 46.3 37.6 35.6 74 87 A A H >< S+ 0 0 1 -4,-2.3 3,-0.8 -5,-0.3 4,-0.5 0.953 111.9 48.5 -61.9 -34.0 47.9 34.1 35.9 75 88 A S H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.638 116.0 43.3 -84.1 -5.8 48.7 34.7 39.6 76 89 A N H S+ 0 0 132 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.903 113.9 45.2 -52.9 -43.4 42.8 30.4 40.8 79 92 A S H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.802 110.6 52.2 -77.5 -26.8 41.2 32.7 43.3 80 93 A C H X S+ 0 0 1 -4,-1.3 4,-0.7 -3,-0.3 -1,-0.2 0.764 113.0 46.7 -70.5 -23.7 39.0 34.5 40.8 81 94 A V H X S+ 0 0 53 -4,-2.0 4,-2.3 2,-0.2 3,-0.2 0.860 108.7 52.7 -78.6 -40.0 37.7 31.1 39.6 82 95 A Q H X S+ 0 0 87 -4,-2.0 4,-3.5 -5,-0.3 5,-0.2 0.875 102.1 60.9 -67.0 -35.3 37.1 29.8 43.1 83 96 A W H X S+ 0 0 44 -4,-1.4 4,-0.9 2,-0.2 -1,-0.3 0.892 104.3 51.0 -56.6 -32.7 35.1 33.0 43.7 84 97 A L H ><>S+ 0 0 25 -4,-0.7 5,-1.4 -3,-0.2 3,-1.1 0.969 109.9 46.8 -71.3 -51.3 32.9 31.6 40.9 85 98 A I H ><5S+ 0 0 84 -4,-2.3 3,-2.4 1,-0.2 5,-0.3 0.967 109.4 55.8 -55.0 -51.3 32.6 28.3 42.5 86 99 A D H 3<5S+ 0 0 117 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.660 100.5 58.9 -56.0 -20.7 31.7 30.1 45.9 87 100 A Q T <<5S- 0 0 51 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.547 118.7-109.8 -87.6 -5.6 28.8 32.0 44.2 88 101 A G T < 5S+ 0 0 51 -3,-2.4 2,-0.8 -4,-0.5 -3,-0.2 0.414 88.1 122.7 89.7 5.5 27.2 28.7 43.3 89 102 A V < 0 0 21 -5,-1.4 -3,-0.1 -6,-0.2 -1,-0.1 -0.328 360.0 360.0 -97.1 54.6 28.0 29.4 39.7 90 103 A L 0 0 180 -2,-0.8 -5,-0.1 -5,-0.3 -8,-0.1 0.217 360.0 360.0 -18.3 360.0 29.9 26.1 39.4 91 ! 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 92 142 A T 0 0 160 0, 0.0 -3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-134.6 27.9 30.1 33.5 93 143 A T - 0 0 96 1,-0.1 4,-0.2 -73,-0.0 -77,-0.1 -0.129 360.0-174.7 -88.2 158.9 25.6 33.0 34.5 94 144 A L > + 0 0 6 -79,-0.1 4,-2.2 2,-0.1 5,-0.2 0.384 64.0 103.0-108.8 -5.0 25.6 35.5 37.2 95 145 A V H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.890 82.0 43.2 -54.0 -60.1 22.2 37.0 36.2 96 146 A S H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.929 112.9 54.4 -60.5 -36.8 20.0 35.3 38.8 97 147 A K H > S+ 0 0 85 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.883 112.4 42.4 -61.8 -43.8 22.6 36.1 41.5 98 148 A A H < S+ 0 0 2 -4,-2.2 6,-0.3 2,-0.2 -1,-0.2 0.810 113.0 51.3 -74.1 -30.6 22.6 39.9 40.7 99 149 A L H < S+ 0 0 82 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 107.8 55.8 -67.7 -35.9 18.8 40.1 40.3 100 150 A N H < S+ 0 0 120 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.791 89.3 94.4 -65.4 -20.0 18.5 38.4 43.8 101 151 A H >< - 0 0 31 -4,-0.9 3,-2.1 -5,-0.2 -1,-0.1 -0.471 64.6-154.0 -86.4 127.7 20.7 41.1 45.3 102 152 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.725 93.4 56.8 -68.7 -17.2 18.8 44.0 46.9 103 153 A N T 3 S+ 0 0 42 -72,-0.1 -71,-2.4 -79,-0.0 2,-0.5 0.478 93.7 75.2 -97.5 -0.0 21.8 46.3 46.4 104 154 A I E < -g 32 0C 14 -3,-2.1 2,-0.6 -6,-0.3 -71,-0.2 -0.918 61.1-167.5-108.5 129.0 22.1 45.9 42.6 105 155 A R E -g 33 0C 140 -73,-2.8 -71,-2.3 -2,-0.5 2,-0.5 -0.929 8.3-152.1-114.4 135.6 19.5 47.6 40.4 106 156 A V E -g 34 0C 23 -2,-0.6 2,-0.8 -73,-0.2 -71,-0.2 -0.783 3.9-160.7-104.3 113.1 19.4 46.5 36.7 107 157 A L E -g 35 0C 24 -73,-2.6 -71,-2.7 -2,-0.5 3,-0.5 -0.855 20.5-158.8 -94.6 102.8 18.1 49.1 34.1 108 158 A E + 0 0 84 -2,-0.8 30,-0.3 1,-0.2 29,-0.3 -0.226 67.6 26.1 -77.6 151.2 17.1 46.9 31.1 109 159 A R S S+ 0 0 92 -71,-1.8 28,-2.7 1,-0.2 29,-0.4 0.888 89.4 144.8 49.0 55.7 16.9 48.2 27.5 110 160 A T E -C 136 0B 6 -74,-2.9 2,-0.4 -3,-0.5 26,-0.2 -0.811 34.5-168.7-123.6 141.6 19.4 50.9 28.2 111 161 A N E -C 135 0B 11 24,-1.7 24,-3.1 -2,-0.3 -75,-0.0 -0.915 22.7-134.0-127.9 112.6 22.1 52.4 25.9 112 162 A A E -C 134 0B 2 -2,-0.4 22,-0.2 22,-0.2 3,-0.1 -0.391 19.9-171.1 -67.1 137.1 24.7 54.6 27.4 113 163 A V E - 0 0 3 20,-2.6 2,-0.3 1,-0.4 21,-0.2 0.688 57.8 -24.4 -96.9 -53.2 25.1 57.7 25.3 114 164 A D E -C 133 0B 35 19,-1.2 19,-2.1 67,-0.0 -1,-0.4 -0.906 63.0-105.9-161.2 154.4 28.2 59.5 26.7 115 165 A L E -C 132 0B 9 62,-0.4 2,-0.7 -2,-0.3 17,-0.2 -0.572 30.0-126.1 -86.5 140.6 30.1 59.8 30.0 116 166 A I E -C 131 0B 0 15,-2.7 14,-2.7 -2,-0.2 15,-0.6 -0.897 28.8-169.0 -88.2 114.4 29.7 62.9 32.1 117 167 A V E >> -C 129 0B 3 -2,-0.7 3,-1.2 12,-0.2 4,-0.7 -0.895 22.0-129.7-111.7 122.9 33.2 64.3 32.7 118 168 A S G >4>S+ 0 0 0 10,-3.7 5,-2.4 -2,-0.4 3,-1.9 0.855 101.1 54.4 -40.5 -53.2 33.6 67.1 35.3 119 169 A D G 345S+ 0 0 83 1,-0.3 -1,-0.3 3,-0.2 8,-0.1 0.144 108.7 54.0 -72.4 14.5 35.7 69.7 33.5 120 170 A K G <45S+ 0 0 132 -3,-1.2 -1,-0.3 -2,-0.3 -2,-0.2 0.496 101.4 54.0-120.4 -26.0 33.1 69.6 30.8 121 171 A I T <<5S- 0 0 37 -3,-1.9 -2,-0.2 -4,-0.7 -3,-0.1 0.197 122.3-107.8 -99.5 25.6 30.1 70.3 33.0 122 172 A G T 5S+ 0 0 73 1,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.810 75.6 144.4 56.2 28.1 32.1 73.4 34.1 123 173 A L < - 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0 0 44 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.477 40.9-116.0 73.9 179.2 26.3 67.1 42.7 366 418 A T - 0 0 59 -363,-0.1 -363,-0.2 0, 0.0 -1,-0.0 -0.888 41.1-132.8-162.5 159.4 23.4 67.3 40.4 367 419 A L B -A 2 0A 1 -365,-1.8 -365,-3.7 -2,-0.3 -223,-0.1 -0.815 12.4 -95.8-135.6 166.1 23.7 67.5 36.6 368 420 A P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 2,-0.0 -0.567 43.9-128.8 -76.2 133.1 22.9 69.0 33.2 369 421 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 -226,-0.1 -0.336 34.0 -85.2 -72.5 172.8 20.3 67.1 31.2 370 422 A W - 0 0 78 -228,-0.5 -228,-0.1 1,-0.1 -226,-0.1 -0.418 34.4-119.7 -77.9 153.4 20.8 66.0 27.6 371 423 A D - 0 0 126 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.922 31.7-162.6 -50.0 -58.2 20.1 68.4 24.8 372 424 A E - 0 0 104 57,-0.1 2,-0.2 1,-0.1 58,-0.1 0.993 3.9-167.5 58.7 69.1 17.4 66.3 23.2 373 425 A S - 0 0 22 56,-0.3 58,-0.3 1,-0.1 -1,-0.1 -0.603 7.3-157.7 -76.1 140.3 17.2 67.9 19.8 374 426 A R + 0 0 172 -2,-0.2 55,-0.1 56,-0.1 -1,-0.1 -0.009 25.5 162.8-118.7 24.5 14.0 66.3 18.5 375 427 A V B -t 429 0G 68 53,-0.8 55,-0.9 1,-0.1 2,-0.6 -0.166 21.5-158.3 -51.1 128.1 14.5 66.7 14.8 376 428 A E + 0 0 87 53,-0.1 -1,-0.1 4,-0.0 -2,-0.0 -0.904 29.6 147.9-118.4 112.3 12.3 64.4 12.8 377 429 A N > - 0 0 65 -2,-0.6 4,-1.9 1,-0.1 5,-0.1 -0.857 23.1-168.1-138.5 90.0 13.2 63.5 9.2 378 430 A P H > S+ 0 0 110 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.794 85.9 50.4 -51.1 -35.6 11.9 60.0 8.4 379 431 A D H >> S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 3,-0.9 0.903 109.9 49.1 -73.3 -39.9 13.9 59.7 5.1 380 432 A E H 3> S+ 0 0 45 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.875 105.5 60.3 -65.1 -31.0 17.2 60.7 6.6 381 433 A R H 3X S+ 0 0 42 -4,-1.9 4,-0.9 1,-0.2 -1,-0.3 0.794 100.6 53.7 -65.3 -37.3 16.5 58.2 9.3 382 434 A V H - 0 0 24 -2,-0.3 4,-2.1 60,-0.3 5,-0.2 -0.974 40.5-110.0-152.2 162.6 47.1 45.5 2.3 405 457 A T H > S+ 0 0 40 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.882 116.9 50.2 -66.4 -36.6 48.2 49.1 2.5 406 458 A K H > S+ 0 0 149 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.832 108.5 52.4 -73.7 -25.2 45.9 50.2 -0.4 407 459 A R H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.957 108.7 51.5 -67.7 -41.1 42.9 48.5 1.1 408 460 A L H X S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.3 -2,-0.2 0.852 106.2 53.3 -61.4 -40.6 43.5 50.4 4.4 409 461 A E H X S+ 0 0 86 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.867 107.3 53.1 -63.9 -31.0 43.7 53.8 2.6 410 462 A R H X S+ 0 0 113 -4,-1.3 4,-1.9 -3,-0.4 -2,-0.2 0.889 108.6 49.0 -69.2 -37.6 40.3 53.0 1.1 411 463 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 -13,-0.3 5,-0.2 0.933 111.6 49.2 -66.8 -46.2 38.8 52.3 4.5 412 464 A L H X S+ 0 0 40 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.871 109.2 51.1 -59.8 -47.4 40.2 55.5 6.0 413 465 A R H X S+ 0 0 152 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.931 114.1 45.1 -60.5 -40.2 38.9 57.6 3.1 414 466 A R H X S+ 0 0 87 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.850 111.1 51.5 -71.9 -38.6 35.4 56.0 3.6 415 467 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.892 110.1 51.2 -65.3 -38.4 35.4 56.4 7.4 416 468 A T H X S+ 0 0 45 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.904 108.4 51.3 -65.1 -37.7 36.3 60.0 7.0 417 469 A M H X S+ 0 0 96 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.962 110.3 48.2 -65.1 -48.4 33.5 60.5 4.5 418 470 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.915 109.6 52.3 -59.6 -45.1 31.0 59.0 7.0 419 471 A Q H X S+ 0 0 46 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.914 110.6 48.9 -56.1 -45.5 32.2 61.2 9.9 420 472 A Q H X S+ 0 0 125 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.906 112.8 47.6 -64.5 -33.7 31.8 64.2 7.7 421 473 A E H X>S+ 0 0 53 -4,-2.6 4,-3.3 2,-0.2 5,-0.5 0.931 108.7 53.9 -70.5 -43.2 28.2 63.1 6.7 422 474 A I H X5S+ 0 0 8 -4,-3.0 4,-2.7 -5,-0.2 5,-0.3 0.974 113.1 43.1 -52.2 -53.1 27.3 62.4 10.3 423 475 A D H X5S+ 0 0 109 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.929 118.1 43.8 -58.3 -56.5 28.3 65.9 11.4 424 476 A E H <5S+ 0 0 148 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.926 128.2 23.6 -58.0 -49.4 26.7 67.7 8.5 425 477 A Y H <5S+ 0 0 111 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.597 123.2 42.4-102.2 -21.6 23.4 65.8 8.4 426 478 A Y H ><< + 0 0 1 -4,-2.7 3,-2.6 -5,-0.5 -3,-0.2 0.437 67.1 143.7-106.8 2.8 22.6 64.3 11.8 427 479 A A T 3< S- 0 0 53 -4,-0.9 -4,-0.0 -5,-0.3 -3,-0.0 -0.057 86.3 -8.2 -44.7 131.8 23.6 67.2 14.2 428 480 A H T 3 S+ 0 0 107 1,-0.1 -53,-0.8 -54,-0.1 -1,-0.3 0.476 87.2 156.6 46.3 18.2 21.0 67.0 17.0 429 481 A F B < -t 375 0G 20 -3,-2.6 -56,-0.3 -55,-0.1 2,-0.2 -0.175 58.9 -89.2 -45.0 154.8 18.8 64.4 15.4 430 482 A R - 0 0 102 -55,-0.9 5,-0.1 -58,-0.1 -56,-0.1 -0.443 51.8 -96.6 -70.3 141.5 16.9 62.7 18.3 431 483 A V + 0 0 21 -58,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.362 51.2 162.6 -63.5 142.6 18.7 59.7 19.7 432 484 A S > - 0 0 25 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.919 50.0-107.9-148.8 164.0 17.7 56.3 18.5 433 485 A N H > S+ 0 0 30 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.915 118.3 53.7 -63.4 -40.6 19.7 53.0 18.8 434 486 A N H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 109.9 47.5 -57.9 -45.9 20.5 52.9 15.1 435 487 A L H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.904 113.0 48.0 -64.4 -39.1 22.0 56.5 15.3 436 488 A L H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.920 112.1 50.2 -70.9 -41.1 24.1 55.7 18.5 437 489 A E H X S+ 0 0 21 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.902 110.5 49.0 -61.8 -41.5 25.4 52.5 17.0 438 490 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.911 111.3 49.2 -62.7 -44.9 26.4 54.2 13.8 439 491 A R H X S+ 0 0 78 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.916 117.0 41.6 -61.4 -43.1 28.2 57.0 15.6 440 492 A N H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.809 112.7 52.3 -76.1 -35.5 30.1 54.6 17.8 441 493 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.902 112.5 47.0 -67.3 -38.3 30.9 52.0 15.0 442 494 A V H X S+ 0 0 3 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.893 111.9 50.0 -70.7 -36.5 32.3 54.8 12.8 443 495 A Q H X S+ 0 0 31 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.958 114.7 44.0 -64.8 -46.7 34.4 56.2 15.8 444 496 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.912 109.2 57.0 -67.7 -38.9 35.7 52.7 16.5 445 497 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.922 103.9 53.8 -59.3 -37.0 36.4 51.9 12.8 446 498 A E H X S+ 0 0 26 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.927 111.2 45.2 -61.5 -42.4 38.6 55.0 12.6 447 499 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.862 111.3 53.4 -67.2 -41.3 40.7 53.8 15.6 448 500 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.954 112.9 42.7 -60.0 -46.2 40.8 50.2 14.1 449 501 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.876 111.3 53.9 -72.7 -31.5 42.2 51.5 10.7 450 502 A R H X S+ 0 0 90 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.950 110.6 47.8 -67.7 -39.1 44.7 54.0 12.2 451 503 A C H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.905 113.9 46.6 -63.6 -47.6 46.1 51.1 14.4 452 504 A A H < S+ 0 0 1 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.815 109.5 52.6 -63.8 -37.3 46.4 48.8 11.4 453 505 A M H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.829 106.4 58.8 -68.8 -17.7 48.0 51.5 9.1 454 506 A M H < S+ 0 0 83 -4,-1.3 2,-0.7 -5,-0.2 -1,-0.2 0.760 88.7 77.9 -80.2 -31.1 50.6 52.0 11.8 455 507 A R < - 0 0 17 -4,-0.8 2,-1.2 -3,-0.4 -1,-0.1 -0.774 57.0-169.8 -97.0 117.7 51.9 48.4 12.0 456 508 A K + 0 0 89 -2,-0.7 2,-0.3 2,-0.1 13,-0.1 -0.455 64.6 54.4-101.3 50.9 54.4 47.6 9.1 457 509 A E S S- 0 0 1 -2,-1.2 2,-0.5 13,-0.1 13,-0.2 -0.927 83.9-106.3-170.2 163.2 54.6 43.9 9.7 458 510 A S + 0 0 14 11,-0.7 2,-0.3 -2,-0.3 5,-0.2 -0.980 46.6 158.8-103.8 121.7 52.4 40.9 10.1 459 511 A R B > -V 462 0I 25 3,-1.6 3,-2.1 -2,-0.5 -2,-0.1 -0.972 58.3 -43.6-144.5 127.9 52.2 39.7 13.7 460 512 A G T 3 S+ 0 0 26 -2,-0.3 -125,-0.2 1,-0.3 -399,-0.1 -0.329 130.0 0.4 55.9-130.0 49.4 37.5 15.2 461 513 A L T 3 S+ 0 0 11 -127,-2.5 2,-0.7 -3,-0.1 -1,-0.3 0.483 116.0 86.4 -72.9 -8.1 46.0 38.6 14.0 462 514 A H B < +V 459 0I 1 -3,-2.1 -3,-1.6 -128,-0.2 2,-0.5 -0.879 54.8 170.3 -98.2 108.1 47.4 41.5 11.8 463 515 A F + 0 0 69 -2,-0.7 -60,-3.0 -62,-0.4 2,-0.4 -0.976 2.8 173.2-125.1 112.2 48.3 40.0 8.4 464 516 A T B > -u 403 0H 3 3,-0.5 3,-1.7 -2,-0.5 -60,-0.3 -0.993 31.0-143.2-127.9 127.8 49.1 42.4 5.6 465 517 A L T 3 S+ 0 0 105 -62,-2.8 -61,-0.2 -2,-0.4 -1,-0.1 0.812 99.5 59.8 -63.7 -24.2 50.4 41.4 2.1 466 518 A D T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -63,-0.2 -62,-0.1 0.501 116.0 30.3 -78.9 -9.2 52.8 44.4 1.9 467 519 A Y < + 0 0 87 -3,-1.7 -3,-0.5 1,-0.1 -1,-0.2 -0.668 64.3 164.6-149.6 66.5 54.7 43.4 5.0 468 520 A P + 0 0 95 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.720 57.4 74.3 -60.4 -19.4 54.8 39.7 5.4 469 521 A E S S- 0 0 158 -13,-0.1 -11,-0.7 1,-0.1 2,-0.2 -0.612 83.1-107.1 -98.8 166.4 57.6 39.7 8.0 470 522 A L - 0 0 106 -2,-0.2 2,-0.1 -13,-0.2 -11,-0.1 -0.510 32.6-122.8 -76.6 145.5 58.0 40.6 11.6 471 523 A L - 0 0 83 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.423 17.7-125.8 -74.7 162.3 59.8 43.8 12.6 472 524 A T S S+ 0 0 142 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.940 99.8 38.0 -81.0 -32.7 62.9 43.4 14.9 473 525 A H S S+ 0 0 167 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.885 79.4 150.9-119.5 123.0 61.5 45.9 17.5 474 526 A S + 0 0 53 -2,-0.5 -411,-0.0 -411,-0.1 -4,-0.0 -0.817 11.6 156.1-144.1 177.2 57.8 46.0 18.1 475 527 A G - 0 0 22 -2,-0.3 -411,-0.1 -409,-0.0 -410,-0.1 -0.908 52.2 -43.6 176.1-173.0 55.2 46.8 20.8 476 528 A P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 -142,-0.0 -0.336 51.8-114.0 -70.8 161.2 51.5 47.8 20.9 477 529 A S - 0 0 6 -2,-0.0 -290,-2.7 -22,-0.0 2,-0.4 -0.866 38.8-171.0 -96.2 127.4 49.8 50.3 18.7 478 530 A I E -R 186 0F 76 -2,-0.5 2,-0.4 -292,-0.2 -292,-0.2 -0.918 9.1-171.8-125.6 129.8 48.7 53.3 20.9 479 531 A L E -R 185 0F 25 -294,-2.5 -294,-1.9 -2,-0.4 -32,-0.0 -0.988 6.9-157.1-124.2 153.2 46.5 56.2 19.8 480 532 A S 0 0 85 -2,-0.4 -296,-0.1 -296,-0.2 -297,-0.1 -0.971 360.0 360.0-133.6 126.6 45.8 59.3 21.9 481 533 A P 0 0 88 0, 0.0 -301,-0.0 0, 0.0 -297,-0.0 -0.524 360.0 360.0 -72.2 360.0 42.8 61.6 21.5