==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-09 3L0A . COMPND 2 MOLECULE: PUTATIVE EXONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM RECTALE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 11.3 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 10 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 3 1 1 1 0 0 0 0 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 0 2 0 0 1 0 0 1 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 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 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 0 A G 0 0 103 0, 0.0 2,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 120.6 11.2 4.1 39.6 2 1 A X - 0 0 50 11,-0.1 2,-0.8 1,-0.1 0, 0.0 -0.393 360.0-131.6 -70.2 130.5 10.8 6.6 36.7 3 2 A Q - 0 0 85 -2,-0.1 2,-0.2 1,-0.0 -1,-0.1 -0.749 28.7-142.3 -83.3 112.1 14.1 7.9 35.1 4 3 A L + 0 0 30 -2,-0.8 2,-0.3 3,-0.0 114,-0.1 -0.523 22.8 179.7 -82.2 148.2 13.7 11.6 35.0 5 4 A T > - 0 0 66 -2,-0.2 4,-1.7 1,-0.1 -1,-0.0 -0.872 45.0-102.1-134.7 167.3 15.0 13.8 32.1 6 5 A S T 4 S+ 0 0 91 -2,-0.3 4,-0.3 1,-0.2 3,-0.1 0.869 123.0 50.4 -52.6 -39.8 15.1 17.4 31.0 7 6 A E T 4 S+ 0 0 185 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.879 122.8 29.1 -70.6 -38.4 12.3 16.6 28.6 8 7 A N T >4 S+ 0 0 33 1,-0.1 3,-1.8 2,-0.1 6,-0.3 0.357 84.6 104.4-107.1 1.8 10.0 15.0 31.2 9 8 A Y T 3< S+ 0 0 12 -4,-1.7 -1,-0.1 1,-0.3 -3,-0.1 0.844 91.6 38.1 -53.4 -41.2 11.0 16.6 34.6 10 9 A Y T 3 S+ 0 0 149 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.302 91.6 130.3 -96.0 9.7 7.8 18.7 34.7 11 10 A S S <> S- 0 0 25 -3,-1.8 4,-2.1 1,-0.1 5,-0.1 -0.133 71.5-114.4 -66.7 158.6 5.5 16.0 33.2 12 11 A Q H > S+ 0 0 83 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.907 120.5 44.6 -55.3 -46.5 2.2 15.0 34.8 13 12 A E H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.769 108.7 56.6 -71.6 -29.2 3.6 11.6 35.6 14 13 A A H > S+ 0 0 0 -6,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.905 110.1 47.0 -64.9 -36.4 6.9 13.1 36.8 15 14 A N H < S+ 0 0 41 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.695 108.4 52.7 -81.3 -21.5 4.8 15.1 39.3 16 15 A K H < S+ 0 0 124 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.899 115.6 40.6 -75.2 -44.5 2.7 12.2 40.6 17 16 A E H < S+ 0 0 71 -4,-1.6 2,-0.5 1,-0.2 110,-0.4 0.777 118.9 47.2 -74.4 -27.9 5.7 10.1 41.4 18 17 A Y < - 0 0 10 -4,-1.5 110,-0.3 -5,-0.2 -1,-0.2 -0.952 68.6-144.9-126.6 121.1 7.9 12.9 42.8 19 18 A X E -a 128 0A 6 108,-2.6 110,-1.9 -2,-0.5 2,-0.3 -0.436 30.1-169.3 -63.4 152.0 7.1 15.6 45.4 20 19 A S E > -a 129 0A 9 108,-0.2 4,-2.8 -2,-0.1 5,-0.2 -0.922 38.9-105.0-142.4 166.0 8.9 18.8 44.5 21 20 A V H > S+ 0 0 13 108,-0.5 4,-1.9 -2,-0.3 5,-0.1 0.913 125.9 46.7 -59.4 -40.8 9.6 22.1 46.1 22 21 A S H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.937 111.0 51.9 -68.1 -47.5 7.0 23.6 43.8 23 22 A G H > S+ 0 0 17 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.893 108.6 51.7 -47.2 -47.7 4.6 20.8 44.5 24 23 A Y H X S+ 0 0 7 -4,-2.8 4,-3.6 1,-0.2 5,-0.3 0.951 107.2 50.8 -61.7 -50.1 4.9 21.3 48.2 25 24 A K H X S+ 0 0 42 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.833 100.9 63.3 -58.9 -35.0 4.3 25.1 48.1 26 25 A D H < S+ 0 0 21 -4,-1.7 10,-1.7 1,-0.2 14,-0.3 0.967 118.1 29.4 -51.5 -50.5 1.0 24.5 46.0 27 26 A F H < S+ 0 0 9 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.955 133.0 32.1 -73.0 -49.1 -0.3 22.6 49.1 28 27 A A H < S- 0 0 28 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.702 90.4-158.4 -94.3 -22.6 1.6 24.5 51.9 29 28 A G < - 0 0 16 -4,-2.7 2,-0.3 -5,-0.3 5,-0.2 0.043 9.5-110.9 76.9 178.2 1.9 28.0 50.6 30 29 A T B > -F 33 0B 28 3,-2.2 3,-1.3 -5,-0.1 138,-0.1 -0.834 38.1 -89.7-136.6 174.5 4.4 30.8 51.6 31 30 A Y T 3 S+ 0 0 122 136,-0.6 137,-0.2 135,-0.4 136,-0.1 0.824 129.5 49.5 -53.9 -31.3 4.0 34.1 53.4 32 31 A G T 3 S+ 0 0 26 135,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.470 116.6 36.2 -87.9 -5.8 3.4 35.6 50.0 33 32 A K B < S-F 30 0B 121 -3,-1.3 -3,-2.2 -8,-0.0 -1,-0.2 -0.916 81.9-120.2-154.6 120.8 0.7 33.1 48.7 34 33 A X - 0 0 144 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.186 36.5-108.7 -55.5 144.2 -2.1 31.4 50.7 35 34 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 -8,-0.2 -0.471 35.8-176.6 -67.9 154.6 -2.0 27.6 50.6 36 35 A C > - 0 0 6 -10,-1.7 4,-1.5 -9,-0.1 204,-0.1 -0.731 14.7-172.6-155.0 106.6 -4.7 25.8 48.5 37 36 A E H > S+ 0 0 26 202,-0.4 4,-1.6 -2,-0.2 203,-0.2 0.892 88.3 54.4 -65.5 -44.5 -4.9 22.0 48.5 38 37 A F H >> S+ 0 0 10 201,-2.2 4,-3.2 2,-0.2 3,-0.6 0.939 106.1 52.2 -52.5 -54.8 -7.6 21.9 45.8 39 38 A Y H 3> S+ 0 0 18 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.887 109.7 51.0 -50.1 -42.1 -5.4 24.0 43.5 40 39 A G H 3X S+ 0 0 1 -4,-1.5 4,-1.1 -14,-0.3 -1,-0.3 0.808 112.4 44.5 -66.3 -33.9 -2.6 21.5 44.1 41 40 A X H S+ 0 0 8 -4,-3.2 5,-2.0 1,-0.2 6,-1.3 0.868 108.2 51.7 -63.1 -35.3 -6.3 20.1 40.2 43 42 A K H <5S+ 0 0 53 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.891 111.2 48.0 -64.0 -41.0 -2.7 20.8 38.9 44 43 A L H <5S+ 0 0 24 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.932 110.6 49.5 -63.9 -52.4 -1.8 17.1 39.4 45 44 A N H <5S- 0 0 70 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.673 112.1-121.0 -53.7 -26.7 -4.9 15.8 37.7 46 45 A G T <5S+ 0 0 48 -4,-0.8 -3,-0.2 2,-0.2 3,-0.1 0.694 82.8 117.0 82.6 22.5 -4.2 18.1 34.7 47 46 A R S - 0 0 43 1,-0.1 4,-2.7 -3,-0.0 5,-0.2 -0.763 12.1-128.3-104.9 147.3 3.2 34.8 33.8 54 53 A T H > S+ 0 0 75 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.896 111.7 52.6 -52.7 -44.0 5.5 37.5 32.5 55 54 A A H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 111.9 43.3 -61.8 -45.3 7.7 37.2 35.7 56 55 A L H > S+ 0 0 123 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.903 113.7 51.4 -68.8 -43.7 8.2 33.4 35.3 57 56 A L H X S+ 0 0 22 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.917 108.4 51.0 -61.8 -46.8 8.8 33.7 31.6 58 57 A V H >X S+ 0 0 3 -4,-3.0 4,-1.8 1,-0.2 3,-0.7 0.985 112.7 47.9 -50.1 -57.7 11.5 36.4 32.1 59 58 A G H 3X S+ 0 0 19 -4,-2.1 4,-1.9 1,-0.3 -2,-0.2 0.830 111.3 48.3 -53.4 -41.7 13.1 34.1 34.7 60 59 A S H 3X S+ 0 0 53 -4,-2.8 4,-2.9 2,-0.2 -1,-0.3 0.797 106.2 59.3 -69.5 -27.2 13.0 31.0 32.4 61 60 A Y H S+ 0 0 5 -4,-2.9 5,-2.2 1,-0.2 4,-1.2 0.853 104.0 57.1 -61.0 -36.4 17.7 29.1 29.2 65 64 A Y H ><5S+ 0 0 84 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.964 110.4 44.3 -57.3 -49.5 20.4 31.6 28.3 66 65 A F H 3<5S+ 0 0 29 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.784 113.5 49.8 -70.5 -26.2 22.8 30.0 30.8 67 66 A E H 3<5S- 0 0 82 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.630 109.4-120.8 -82.5 -16.8 21.9 26.4 29.8 68 67 A G T <<5S+ 0 0 72 -4,-1.2 -3,-0.2 -3,-0.7 -2,-0.1 0.849 85.0 112.3 75.1 36.0 22.4 27.1 26.0 69 68 A S >< + 0 0 35 -5,-2.2 4,-1.7 -6,-0.1 -4,-0.2 -0.079 32.0 115.7-125.5 27.1 18.9 26.2 25.3 70 69 A L H > + 0 0 29 -6,-0.4 4,-2.4 2,-0.2 5,-0.2 0.852 69.1 58.5 -71.6 -37.5 17.6 29.7 24.3 71 70 A D H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 111.8 42.0 -58.0 -44.4 16.8 28.9 20.7 72 71 A Q H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.833 109.7 57.2 -76.3 -33.6 14.4 26.2 21.7 73 72 A F H X S+ 0 0 28 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.932 108.4 47.7 -57.6 -44.8 13.0 28.3 24.5 74 73 A K H < S+ 0 0 60 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.900 110.9 51.3 -64.8 -40.6 12.0 30.9 22.0 75 74 A K H < S+ 0 0 135 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.912 112.4 45.7 -60.4 -41.9 10.5 28.3 19.7 76 75 A D H < S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.596 117.3 44.4 -79.8 -13.4 8.4 26.9 22.5 77 76 A N >< + 0 0 29 -4,-1.1 3,-2.0 -3,-0.5 -1,-0.2 -0.471 58.9 160.8-131.9 58.8 7.2 30.3 23.8 78 77 A P G > + 0 0 80 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.618 65.3 79.6 -56.5 -14.8 6.2 32.5 20.8 79 78 A E G 3 S+ 0 0 97 1,-0.3 4,-0.1 -3,-0.1 -5,-0.0 0.554 74.7 74.5 -76.9 -4.7 4.2 34.8 23.1 80 79 A I G < S+ 0 0 1 -3,-2.0 8,-2.5 -6,-0.2 2,-0.3 0.529 90.8 71.2 -79.9 -7.9 7.4 36.6 24.2 81 80 A F B < S-G 87 0C 59 -3,-1.4 6,-0.2 6,-0.2 5,-0.1 -0.870 84.7-116.8-110.3 148.2 7.5 38.4 20.8 82 81 A T > - 0 0 56 4,-3.3 3,-1.1 -2,-0.3 -2,-0.1 -0.225 34.0-107.8 -68.5 162.9 5.3 41.1 19.4 83 82 A Q T 3 S+ 0 0 196 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.815 121.5 61.7 -63.1 -28.3 3.3 40.4 16.4 84 83 A K T 3 S- 0 0 99 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.675 123.4-103.9 -75.6 -14.8 5.7 42.7 14.5 85 84 A G S < S+ 0 0 50 -3,-1.1 2,-0.2 1,-0.4 -2,-0.1 0.141 80.0 118.6 118.4 -16.2 8.6 40.2 15.3 86 85 A E S S- 0 0 123 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.4 -0.506 71.0 -98.0 -88.5 150.3 10.5 42.0 18.1 87 86 A L B -G 81 0C 24 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.386 46.0-109.1 -60.5 134.8 11.0 40.8 21.7 88 87 A K >> - 0 0 90 -8,-2.5 4,-1.9 1,-0.1 3,-1.3 -0.295 35.8-100.7 -64.9 158.6 8.6 42.4 24.1 89 88 A A H 3> S+ 0 0 76 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.784 119.1 60.8 -57.9 -33.4 10.1 45.0 26.5 90 89 A N H 3> S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.851 110.0 43.2 -65.4 -32.5 10.3 42.7 29.5 91 90 A F H <> S+ 0 0 6 -3,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.839 107.4 56.5 -83.5 -34.8 12.6 40.4 27.5 92 91 A K H X S+ 0 0 106 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.890 111.3 47.7 -59.8 -36.8 14.7 43.2 26.0 93 92 A Q H X S+ 0 0 47 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.909 103.0 61.2 -67.0 -44.1 15.2 44.0 29.7 94 93 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.918 104.9 48.9 -44.7 -46.7 16.0 40.3 30.5 95 94 A E H X S+ 0 0 89 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.877 108.2 54.7 -65.4 -32.0 19.0 40.6 28.1 96 95 A E H X S+ 0 0 130 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.914 108.9 47.3 -62.4 -43.6 20.0 43.8 29.9 97 96 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.932 109.7 53.2 -63.9 -46.1 20.0 42.0 33.1 98 97 A I H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.899 109.2 48.6 -56.4 -44.4 22.1 39.1 31.6 99 98 A A H X S+ 0 0 55 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.859 109.0 54.1 -64.3 -34.6 24.8 41.5 30.3 100 99 A R H < S+ 0 0 56 -4,-1.6 3,-0.2 1,-0.2 -2,-0.2 0.918 110.6 45.3 -65.7 -44.9 24.9 43.1 33.8 101 100 A I H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 7,-0.4 0.883 108.4 58.9 -58.6 -44.8 25.5 39.7 35.4 102 101 A E H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.809 97.4 57.8 -67.3 -27.5 28.1 38.8 32.8 103 102 A R T 3< S+ 0 0 174 -4,-1.3 2,-0.6 -3,-0.2 -1,-0.3 0.467 91.1 83.1 -83.3 2.8 30.4 41.8 33.5 104 103 A D <> - 0 0 53 -3,-1.7 4,-2.8 1,-0.1 5,-0.2 -0.885 60.2-167.2-104.7 104.7 30.7 40.7 37.3 105 104 A E H > S+ 0 0 161 -2,-0.6 4,-1.3 1,-0.2 -1,-0.1 0.886 87.2 52.2 -55.9 -44.8 33.5 38.1 37.7 106 105 A Y H >> S+ 0 0 127 2,-0.2 4,-1.0 1,-0.2 3,-0.8 0.962 111.9 44.6 -60.3 -50.0 32.4 37.2 41.3 107 106 A F H >> S+ 0 0 2 1,-0.3 3,-1.3 2,-0.2 4,-1.2 0.955 109.8 56.8 -60.9 -47.3 28.8 36.6 40.3 108 107 A X H 3< S+ 0 0 60 -4,-2.8 -1,-0.3 -7,-0.4 -2,-0.2 0.779 98.3 62.8 -57.9 -23.3 29.8 34.6 37.3 109 108 A K H X< S+ 0 0 123 -4,-1.3 3,-1.0 -3,-0.8 -1,-0.3 0.881 102.4 48.2 -70.8 -32.7 31.8 32.3 39.5 110 109 A Y H X< S+ 0 0 37 -3,-1.3 3,-0.5 -4,-1.0 -1,-0.2 0.783 110.4 53.0 -75.8 -23.2 28.6 31.2 41.3 111 110 A X T 3< S+ 0 0 4 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.390 86.4 89.1 -87.0 5.0 27.0 30.6 37.9 112 111 A S T < + 0 0 80 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 0.475 65.2 100.6 -89.5 3.7 29.9 28.4 36.8 113 112 A G S < S- 0 0 8 -3,-0.5 23,-0.3 1,-0.2 28,-0.0 -0.125 89.7 -60.1 -79.4 178.2 28.5 25.0 38.0 114 113 A Q E -B 135 0A 110 21,-2.5 21,-2.3 20,-0.1 2,-0.4 -0.249 63.7-120.2 -53.9 145.6 26.8 22.2 36.1 115 114 A K E S-B 134 0A 79 1,-0.2 19,-0.2 19,-0.2 18,-0.2 -0.845 75.3 -10.5-107.6 128.7 23.6 23.6 34.6 116 115 A Q E S- 0 0 23 17,-1.2 2,-0.5 16,-0.7 -1,-0.2 0.905 79.4-172.3 50.7 54.7 20.0 22.4 35.4 117 116 A V E -B 132 0A 26 15,-1.3 15,-2.0 -3,-0.3 2,-0.4 -0.649 10.8-148.5 -83.4 122.6 21.2 19.2 37.3 118 117 A I E +B 131 0A 49 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.779 22.0 170.6 -96.3 130.5 18.4 16.8 38.2 119 118 A X E -B 130 0A 29 11,-1.9 11,-1.9 -2,-0.4 2,-0.3 -0.896 15.7-147.5-133.3 165.0 18.7 14.7 41.4 120 119 A T E +B 129 0A 49 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.940 21.2 150.1-138.1 154.4 16.3 12.4 43.4 121 120 A G E -B 128 0A 11 7,-1.7 7,-2.6 -2,-0.3 2,-0.4 -0.936 37.7-101.9-164.7-174.0 15.6 11.4 47.0 122 121 A E E +B 127 0A 123 5,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.993 38.0 162.6-127.7 130.7 13.4 10.2 49.8 123 122 A L E > -B 126 0A 14 3,-2.5 3,-1.8 -2,-0.4 -2,-0.0 -0.929 61.3 -22.8-153.8 129.3 12.0 12.6 52.6 124 123 A F T 3 S- 0 0 58 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.731 129.2 -34.0 50.4 30.1 9.3 12.5 55.1 125 124 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 104,-0.0 2,-0.2 -0.100 120.9 64.8 122.5 -34.9 7.2 9.9 53.3 126 125 A A E < S- B 0 123A 15 -3,-1.8 -3,-2.5 -108,-0.0 -1,-0.3 -0.694 78.4-104.6-117.8 167.5 7.6 10.5 49.5 127 126 A K E - 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d 0 193A 7 49,-2.2 51,-3.0 -2,-0.4 2,-0.4 -0.993 13.5-143.4-123.5 124.7 19.8 29.4 42.4 144 143 A L E + d 0 194A 11 -2,-0.5 2,-0.4 49,-0.2 51,-0.2 -0.749 21.7 179.9 -85.3 132.0 19.4 32.3 40.0 145 144 A K E - d 0 195A 28 49,-1.7 51,-2.0 -2,-0.4 2,-0.6 -0.997 18.2-160.0-133.6 130.0 16.4 34.4 40.7 146 145 A V E + d 0 196A 23 -2,-0.4 2,-0.2 49,-0.2 51,-0.2 -0.954 33.0 158.6-106.5 115.8 15.3 37.5 38.7 147 146 A X E - d 0 197A 25 49,-2.3 51,-1.8 -2,-0.6 52,-0.2 -0.790 53.8-108.1-133.3 175.0 13.0 39.6 40.9 148 147 A A S S+ 0 0 72 1,-0.3 2,-0.3 -2,-0.2 51,-0.2 0.903 99.5 3.4 -69.8 -42.3 11.6 43.2 41.4 149 148 A S - 0 0 19 1,-0.1 -1,-0.3 48,-0.1 47,-0.1 -0.992 40.6-172.1-151.9 138.1 13.7 43.8 44.5 150 149 A I S S+ 0 0 19 -2,-0.3 14,-0.5 -3,-0.1 -1,-0.1 0.787 96.0 43.1 -85.7 -41.8 16.3 42.2 46.7 151 150 A T S S+ 0 0 88 12,-0.1 2,-0.2 13,-0.1 -1,-0.0 0.657 83.8 110.5 -86.4 -18.8 16.2 44.9 49.5 152 151 A D - 0 0 92 11,-0.0 2,-0.3 1,-0.0 12,-0.3 -0.436 53.8-153.5 -64.2 129.6 12.5 45.4 49.9 153 152 A L - 0 0 103 -2,-0.2 2,-0.4 10,-0.1 10,-0.2 -0.748 6.4-148.1 -96.8 146.6 11.1 44.1 53.2 154 153 A K E -H 162 0D 89 8,-2.2 8,-2.4 -2,-0.3 2,-0.3 -0.969 15.7-118.2-123.7 138.1 7.4 43.0 53.4 155 154 A W E -H 161 0D 169 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.526 26.1-167.9 -73.6 129.6 5.1 43.1 56.5 156 155 A V E >> -H 160 0D 13 4,-1.6 4,-4.1 -2,-0.3 3,-2.0 -0.989 32.3-103.2-121.3 132.7 3.7 39.8 57.8 157 156 A K T 34 S- 0 0 140 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.298 101.1 -4.0 -61.1 126.9 0.9 39.9 60.3 158 157 A D T 34 S+ 0 0 149 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.0 0.474 133.5 63.7 65.4 7.1 2.1 39.2 63.9 159 158 A I T <4 S- 0 0 95 -3,-2.0 2,-0.2 1,-0.1 -2,-0.2 0.630 88.0-154.5-117.5 -43.1 5.6 38.6 62.6 160 159 A G E < +H 156 0D 9 -4,-4.1 -4,-1.6 2,-0.0 2,-0.2 -0.663 51.4 9.2 99.8-155.4 6.6 42.1 61.2 161 160 A Y E -H 155 0D 160 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.393 67.3-171.1 -69.6 128.5 9.1 43.0 58.4 162 161 A L E -H 154 0D 11 -8,-2.4 -8,-2.2 -2,-0.2 -2,-0.0 -0.945 20.7-123.4-124.2 137.7 10.4 40.0 56.6 163 162 A D > - 0 0 41 -2,-0.4 4,-2.3 -10,-0.2 5,-0.2 -0.332 36.7-103.8 -66.2 165.0 13.3 39.7 54.0 164 163 A F H > S+ 0 0 19 -14,-0.5 4,-2.4 -12,-0.3 6,-0.3 0.795 114.6 59.3 -65.7 -32.5 12.4 38.2 50.6 165 164 A V H 4>S+ 0 0 11 1,-0.2 5,-2.1 2,-0.2 6,-1.0 0.952 114.6 33.6 -63.3 -53.7 14.1 34.8 51.3 166 165 A R H >45S+ 0 0 92 3,-0.2 3,-0.7 4,-0.2 -135,-0.4 0.886 117.2 56.9 -70.1 -35.9 11.9 33.9 54.2 167 166 A Y H 3<5S+ 0 0 38 -4,-2.3 -135,-1.1 1,-0.2 -136,-0.6 0.894 115.0 35.2 -63.9 -39.9 8.9 35.7 52.8 168 167 A W T 3<5S- 0 0 92 -4,-2.4 -1,-0.2 -137,-0.2 -2,-0.2 0.315 113.2-112.4 -99.5 8.6 8.8 33.7 49.6 169 168 A G T <>5 + 0 0 5 -3,-0.7 4,-1.5 -4,-0.3 3,-0.4 0.800 69.6 140.9 70.5 27.3 9.9 30.4 51.1 170 169 A Y H >< + 0 0 50 -5,-2.1 4,-2.1 -6,-0.3 -4,-0.2 0.643 69.7 68.7 -74.7 -11.1 13.3 30.2 49.4 171 170 A D H > S+ 0 0 24 -6,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.907 98.5 50.6 -66.3 -37.3 14.4 28.9 52.7 172 171 A I H > S+ 0 0 19 -3,-0.4 4,-2.1 2,-0.2 5,-0.3 0.967 109.7 48.9 -62.1 -52.9 12.3 25.8 51.9 173 172 A Q H X S+ 0 0 19 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.923 112.4 47.7 -53.3 -48.6 13.9 25.4 48.4 174 173 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.923 110.4 52.2 -58.9 -45.5 17.4 25.7 49.8 175 174 A A H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.867 114.4 40.8 -58.5 -44.1 16.7 23.2 52.7 176 175 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.958 113.8 51.9 -74.1 -50.5 15.4 20.5 50.4 177 176 A Y H X S+ 0 0 20 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.922 112.3 48.0 -49.0 -52.0 17.9 21.0 47.6 178 177 A Q H X S+ 0 0 13 -4,-2.7 4,-1.9 -5,-0.2 11,-0.3 0.888 113.5 46.4 -53.2 -50.9 20.7 20.7 50.3 179 178 A E H X S+ 0 0 30 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.883 111.1 50.3 -65.3 -43.0 19.3 17.6 51.8 180 179 A I H X S+ 0 0 0 -4,-3.0 4,-1.0 2,-0.2 3,-0.3 0.926 111.0 49.4 -65.9 -42.9 18.7 15.7 48.5 181 180 A V H >X>S+ 0 0 0 -4,-2.3 4,-3.8 -5,-0.3 3,-0.7 0.902 108.3 56.1 -55.6 -40.9 22.3 16.5 47.4 182 181 A R H 3X5S+ 0 0 98 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.859 104.3 51.3 -64.2 -32.9 23.3 15.2 50.7 183 182 A Q H 3<5S+ 0 0 70 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.686 119.9 35.7 -77.2 -18.5 21.5 11.8 50.1 184 183 A N H <<5S+ 0 0 87 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.793 133.8 22.9 -95.1 -40.6 23.3 11.5 46.7 185 184 A T H <5S- 0 0 55 -4,-3.8 -3,-0.2 2,-0.2 -2,-0.2 0.702 84.9-132.0-100.6 -29.0 26.7 13.0 47.5 186 185 A G S <> - 0 0 52 -2,-0.8 4,-1.7 1,-0.1 3,-1.3 -0.133 13.0-110.5 -73.5 159.4 22.6 30.0 56.3 211 210 A D H 3> S+ 0 0 60 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.738 112.0 65.0 -66.1 -23.7 22.0 26.5 57.6 212 211 A N H 3> S+ 0 0 96 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.836 108.0 41.8 -59.7 -36.4 20.1 27.8 60.7 213 212 A Y H <> S+ 0 0 95 -3,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.863 113.6 51.8 -78.3 -39.3 17.3 29.1 58.4 214 213 A L H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.921 110.0 51.4 -62.3 -43.7 17.5 26.0 56.2 215 214 A Q H X S+ 0 0 60 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.878 108.4 49.3 -60.6 -44.8 17.1 23.8 59.3 216 215 A E H X S+ 0 0 89 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.838 114.4 46.3 -65.2 -32.7 14.0 25.7 60.6 217 216 A A H X S+ 0 0 3 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.824 107.3 54.4 -79.2 -34.8 12.3 25.4 57.2 218 217 A L H X S+ 0 0 40 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.821 107.9 54.6 -67.3 -29.8 13.1 21.7 56.7 219 218 A H H X S+ 0 0 95 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.955 105.6 49.2 -64.1 -54.0 11.4 21.3 60.1 220 219 A X H X S+ 0 0 104 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.861 108.6 54.8 -53.3 -39.2 8.2 23.1 58.9 221 220 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-0.3 0.952 106.9 51.1 -57.7 -49.9 8.2 20.8 55.8 222 221 A E H < S+ 0 0 91 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 109.0 50.5 -53.5 -42.1 8.3 17.8 58.1 223 222 A X H < S+ 0 0 101 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.825 116.6 40.0 -69.6 -33.8 5.3 19.1 60.1 224 223 A N H X S+ 0 0 60 -4,-1.7 4,-1.8 -3,-0.3 -2,-0.2 0.677 94.2 81.0 -88.7 -21.5 3.1 19.7 57.0 225 224 A X H X S+ 0 0 0 -4,-1.8 4,-3.7 1,-0.2 5,-0.2 0.839 84.2 58.9 -63.2 -38.3 4.0 16.7 54.9 226 225 A P H > S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.962 109.2 44.8 -56.5 -47.9 1.6 14.1 56.6 227 226 A R H > S+ 0 0 63 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.912 114.6 50.1 -58.1 -45.5 -1.4 16.3 55.8 228 227 A I H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.968 109.4 50.6 -53.7 -56.6 -0.1 16.8 52.3 229 228 A L H X S+ 0 0 39 -4,-3.7 4,-1.3 1,-0.2 6,-0.2 0.876 108.2 53.3 -54.7 -38.2 0.4 13.0 51.8 230 229 A R H <>S+ 0 0 104 -4,-2.3 5,-1.8 -5,-0.2 6,-0.7 0.953 111.7 45.3 -60.0 -49.3 -3.1 12.3 53.0 231 230 A V H ><5S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.935 110.8 50.8 -64.0 -48.0 -4.6 14.8 50.4 232 231 A K H 3<5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.756 107.5 56.8 -61.0 -25.6 -2.5 13.6 47.4 233 232 A N T 3<5S- 0 0 112 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.237 113.5-113.4 -94.6 12.8 -3.5 10.0 48.1 234 233 A G T < 5S+ 0 0 65 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.677 83.8 122.2 69.5 18.5 -7.3 10.5 47.9 235 234 A E S S- 0 0 31 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.673 87.3-107.9-113.7 169.1 -7.3 31.7 43.8 245 244 A D H > S+ 0 0 106 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.888 118.3 54.0 -66.0 -38.7 -8.3 31.6 40.1 246 245 A C H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 109.0 49.0 -59.0 -51.0 -8.7 27.8 40.2 247 246 A C H > S+ 0 0 0 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.897 113.3 47.2 -52.9 -43.3 -11.1 28.0 43.1 248 247 A R H >< S+ 0 0 121 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.883 109.5 51.7 -72.8 -40.8 -13.1 30.7 41.3 249 248 A H H 3< S+ 0 0 138 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.4 43.9 -57.4 -38.9 -13.3 28.9 38.0 250 249 A N H 3< S+ 0 0 47 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.445 84.7 119.5 -90.5 -1.8 -14.6 25.8 39.9 251 250 A R << - 0 0 106 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.0 -0.441 38.5-172.3 -73.0 140.9 -17.1 27.5 42.2 252 251 A V - 0 0 129 -2,-0.1 2,-0.1 0, 0.0 -2,-0.0 -0.963 21.4-136.4-133.2 107.9 -20.8 26.5 41.9 253 252 A L + 0 0 141 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.420 37.7 155.9 -74.1 140.4 -23.0 28.6 44.1 254 253 A K + 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.438 64.6 30.0-134.5 -13.5 -25.8 27.1 46.2 255 254 A K S S- 0 0 165 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.989 76.5-104.1-152.8 152.6 -26.3 29.7 48.9 256 255 A P - 0 0 123 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.575 26.9-149.5 -73.1 137.1 -26.1 33.3 49.7 257 256 A I - 0 0 120 -2,-0.2 2,-0.3 3,-0.0 3,-0.0 -0.388 13.1-156.8 -85.7 178.2 -23.2 34.8 51.8 258 257 A S > - 0 0 61 -2,-0.1 4,-0.9 1,-0.0 3,-0.4 -0.818 40.3 -81.7-138.5-175.8 -23.7 37.8 54.0 259 258 A I H >> S+ 0 0 124 -2,-0.3 4,-1.9 1,-0.2 3,-0.5 0.854 124.5 65.6 -61.7 -37.1 -21.4 40.6 55.5 260 259 A X H 3> S+ 0 0 140 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.933 99.2 53.3 -48.9 -46.2 -20.5 38.1 58.3 261 260 A D H 34 S+ 0 0 92 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 108.6 48.4 -59.8 -35.2 -18.8 36.0 55.6 262 261 A L H << S+ 0 0 129 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.824 118.2 38.8 -73.6 -33.8 -16.7 38.9 54.4 263 262 A T H >< S+ 0 0 78 -4,-1.9 3,-1.2 -3,-0.2 -2,-0.2 0.390 79.7 136.7 -99.1 1.8 -15.5 40.0 57.9 264 263 A A T 3< S+ 0 0 79 -4,-1.2 -3,-0.0 1,-0.2 -4,-0.0 -0.253 72.4 19.3 -51.3 127.0 -15.0 36.5 59.4 265 264 A G T 3 0 0 72 1,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.624 360.0 360.0 92.3 18.2 -11.6 36.5 61.3 266 265 A I < 0 0 144 -3,-1.2 -1,-0.1 0, 0.0 0, 0.0 -0.759 360.0 360.0 90.4 360.0 -11.0 40.3 61.9