==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-APR-12 4EX6 . COMPND 2 MOLECULE: ALNB; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP. CM020; . AUTHOR T.OJA,L.NIIRANEN,T.SANDALOVA,K.D.KLIKA,J.NIEMI,P.MANTSALA, . 219 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.5 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.2 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 0 1 1 0 2 3 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A A 0 0 113 0, 0.0 103,-0.3 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 138.1 34.6 32.1 9.3 2 8 A A - 0 0 24 101,-2.3 103,-0.2 1,-0.1 102,-0.2 0.880 360.0-157.4 -60.1 -38.5 31.6 31.4 7.0 3 9 A D + 0 0 72 101,-1.6 2,-0.3 1,-0.3 102,-0.2 0.945 51.0 122.4 49.0 54.0 29.6 34.2 8.4 4 10 A R E -a 105 0A 105 100,-0.7 102,-2.8 155,-0.1 2,-0.3 -0.876 57.5-121.3-135.1 161.5 26.4 32.4 7.3 5 11 A G E -ab 106 164A 2 158,-2.6 160,-1.9 -2,-0.3 2,-0.4 -0.839 11.0-161.2-113.9 149.6 23.4 31.2 9.2 6 12 A V E -ab 107 165A 0 100,-2.5 102,-2.5 -2,-0.3 2,-0.6 -0.992 8.2-165.0-128.3 120.8 21.8 27.9 9.6 7 13 A I E -ab 108 166A 0 158,-3.1 160,-2.6 -2,-0.4 2,-0.5 -0.946 14.7-161.8-113.1 114.3 18.2 27.8 10.8 8 14 A L E -ab 109 167A 1 100,-3.0 102,-2.4 -2,-0.6 160,-0.2 -0.868 15.2-139.2-109.2 128.8 17.1 24.4 12.0 9 15 A D - 0 0 10 158,-2.6 5,-0.5 -2,-0.5 102,-0.2 -0.425 15.7-150.5 -67.0 157.4 13.7 22.9 12.6 10 16 A L S >>>S+ 0 0 0 100,-0.3 5,-2.5 3,-0.2 3,-1.8 0.907 70.3 62.5 -95.5 -71.4 13.4 20.8 15.8 11 17 A D B 345S+f 15 0B 7 1,-0.3 158,-0.3 2,-0.2 180,-0.2 -0.389 123.1 0.4 -69.8 123.5 10.9 17.9 15.4 12 18 A G T 345S+ 0 0 0 3,-2.7 -1,-0.3 -2,-0.2 4,-0.1 0.479 133.8 57.7 78.4 7.4 11.9 15.4 12.7 13 19 A T T <45S+ 0 0 0 -3,-1.8 -3,-0.2 2,-0.3 -2,-0.2 0.607 126.2 3.6-127.1 -65.5 15.1 17.4 11.9 14 20 A L T <5S+ 0 0 0 -4,-1.6 76,-1.7 -5,-0.5 2,-0.4 0.803 130.6 52.1 -87.4 -37.6 17.2 17.7 15.1 15 21 A A B + 0 0 0 -2,-2.0 4,-2.9 -7,-0.1 5,-0.3 0.555 27.6 97.5-109.1 -13.6 10.2 12.9 17.8 18 24 A P H > S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.880 90.5 45.0 -52.9 -43.2 7.7 12.0 15.1 19 25 A A H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 116.1 47.2 -65.3 -45.9 6.7 8.6 16.5 20 26 A A H > S+ 0 0 15 1,-0.2 4,-3.0 -4,-0.2 5,-0.3 0.869 108.7 54.9 -63.0 -39.9 6.5 10.0 20.0 21 27 A I H X S+ 0 0 7 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.929 109.7 47.1 -59.0 -47.3 4.4 13.0 18.9 22 28 A A H X S+ 0 0 17 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.943 115.6 45.2 -60.5 -47.5 1.8 10.6 17.3 23 29 A T H X S+ 0 0 80 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 115.3 45.1 -60.7 -50.0 1.7 8.4 20.3 24 30 A I H X S+ 0 0 8 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.872 108.5 57.0 -68.6 -35.0 1.4 11.2 22.8 25 31 A T H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.945 109.9 47.0 -54.5 -45.6 -1.2 13.0 20.7 26 32 A A H X S+ 0 0 42 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.898 109.5 52.9 -63.1 -42.1 -3.3 9.8 20.9 27 33 A E H X S+ 0 0 68 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.909 110.3 48.6 -58.2 -44.5 -2.7 9.6 24.7 28 34 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.914 110.1 49.8 -63.9 -47.8 -3.9 13.1 25.1 29 35 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 -2,-0.2 0.928 111.7 49.0 -55.1 -44.2 -7.0 12.6 23.0 30 36 A A H ><5S+ 0 0 66 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.892 109.2 52.3 -64.1 -43.8 -7.8 9.5 25.0 31 37 A A H 3<5S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.871 108.3 51.7 -53.8 -39.9 -7.3 11.4 28.3 32 38 A M T 3<5S- 0 0 70 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.388 128.2-104.0 -82.5 3.0 -9.8 14.0 26.9 33 39 A G T < 5S+ 0 0 68 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.654 85.2 82.8 87.3 25.8 -12.2 11.1 26.2 34 40 A T < - 0 0 62 -5,-2.6 -1,-0.3 -6,-0.1 2,-0.3 -0.823 51.6-154.8-147.8-178.2 -11.9 10.7 22.5 35 41 A A - 0 0 81 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.969 8.0-164.0-157.4 157.7 -10.0 9.3 19.6 36 42 A V - 0 0 46 -2,-0.3 20,-0.1 1,-0.1 21,-0.1 -0.845 40.8 -66.4-141.3 170.6 -9.5 10.1 15.9 37 43 A S > - 0 0 77 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.249 39.9-123.5 -60.4 148.0 -8.2 8.3 12.8 38 44 A R H > S+ 0 0 195 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 112.7 53.8 -54.1 -46.7 -4.6 7.4 12.7 39 45 A G H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.851 103.4 56.2 -65.6 -32.4 -4.2 9.4 9.4 40 46 A A H > S+ 0 0 31 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.939 110.2 44.7 -62.6 -45.4 -5.6 12.5 11.0 41 47 A I H >X S+ 0 0 16 -4,-1.9 3,-1.5 1,-0.2 4,-0.7 0.942 111.6 53.2 -61.9 -49.5 -3.0 12.4 13.8 42 48 A L H >< S+ 0 0 83 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.903 101.5 59.1 -58.6 -33.5 -0.2 11.6 11.3 43 49 A S H 3< S+ 0 0 79 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.727 109.6 45.3 -67.8 -20.1 -1.1 14.7 9.2 44 50 A T H X< S+ 0 0 20 -3,-1.5 3,-2.4 -4,-0.7 -1,-0.3 0.534 77.0 133.6 -95.1 -10.0 -0.5 16.9 12.2 45 51 A V T << S+ 0 0 11 -3,-1.2 146,-0.1 -4,-0.7 -26,-0.0 -0.210 82.0 0.7 -59.7 123.8 2.7 15.5 13.5 46 52 A G T 3 S+ 0 0 22 1,-0.3 66,-0.3 -29,-0.1 -1,-0.3 0.337 101.8 119.9 87.0 -7.8 5.2 18.3 14.3 47 53 A R S < S- 0 0 121 -3,-2.4 -1,-0.3 1,-0.2 5,-0.1 -0.332 83.8 -56.9 -79.2 168.5 2.9 21.1 13.3 48 54 A P > - 0 0 26 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 -0.223 54.5-135.7 -54.7 137.8 1.9 23.7 15.9 49 55 A L H > S+ 0 0 28 63,-0.5 4,-3.0 2,-0.2 5,-0.3 0.911 93.2 45.0 -72.7 -53.4 0.3 22.0 18.9 50 56 A P H > S+ 0 0 45 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.957 117.4 46.9 -56.0 -46.8 -2.8 24.0 19.8 51 57 A A H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.905 114.2 48.5 -59.2 -42.9 -3.9 24.3 16.2 52 58 A S H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.950 113.3 45.0 -65.2 -47.6 -3.2 20.6 15.7 53 59 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.900 111.7 53.6 -66.9 -37.1 -5.1 19.4 18.8 54 60 A A H X>S+ 0 0 2 -4,-2.7 5,-2.1 -5,-0.3 4,-1.3 0.913 110.2 48.0 -60.5 -42.6 -8.0 21.7 18.0 55 61 A G H <5S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.870 113.0 47.2 -65.5 -39.7 -8.2 20.2 14.5 56 62 A L H <5S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.0 44.9 -70.9 -41.5 -8.1 16.7 15.9 57 63 A L H <5S- 0 0 40 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.713 108.9-130.9 -68.8 -20.8 -10.8 17.5 18.5 58 64 A G T <5 + 0 0 64 -4,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.909 64.5 120.0 66.3 44.9 -12.8 19.3 15.8 59 65 A V S - 0 0 78 0, 0.0 3,-1.8 0, 0.0 6,-0.3 -0.292 42.9-119.8 -58.8 147.4 -12.5 26.1 17.6 61 67 A V T 3 S+ 0 0 77 1,-0.3 6,-0.1 5,-0.1 5,-0.1 0.823 114.0 52.8 -64.2 -26.5 -8.9 26.8 18.6 62 68 A E T 3 S+ 0 0 169 4,-0.1 -1,-0.3 3,-0.1 5,-0.1 0.498 80.1 119.4 -87.0 -5.6 -10.1 29.1 21.4 63 69 A D S X> S- 0 0 33 -3,-1.8 3,-2.2 1,-0.1 4,-0.8 -0.379 74.3-124.1 -56.1 133.2 -12.4 26.4 22.9 64 70 A P H 3> S+ 0 0 92 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.780 107.8 70.7 -57.5 -21.8 -11.3 25.6 26.4 65 71 A R H 3> S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.804 93.4 57.8 -60.2 -29.3 -11.0 21.9 25.5 66 72 A V H <> S+ 0 0 4 -3,-2.2 4,-2.8 -6,-0.3 -1,-0.2 0.951 105.4 46.2 -70.7 -48.8 -7.9 22.9 23.4 67 73 A A H X S+ 0 0 62 -4,-0.8 4,-2.4 2,-0.2 5,-0.2 0.882 111.1 54.5 -62.5 -35.3 -6.0 24.4 26.3 68 74 A E H X S+ 0 0 107 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.956 112.2 43.8 -60.7 -46.8 -6.9 21.4 28.5 69 75 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.901 112.1 51.4 -65.4 -44.0 -5.4 19.1 25.8 70 76 A T H X S+ 0 0 32 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.892 110.3 50.1 -64.0 -36.0 -2.3 21.2 25.2 71 77 A E H X S+ 0 0 127 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.918 111.2 47.8 -65.9 -43.2 -1.6 21.3 28.9 72 78 A E H X S+ 0 0 29 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.918 111.1 51.8 -62.5 -39.8 -1.9 17.5 29.1 73 79 A Y H X S+ 0 0 4 -4,-2.6 4,-3.4 1,-0.2 5,-0.4 0.933 105.9 54.7 -63.7 -43.2 0.3 17.1 26.1 74 80 A G H X S+ 0 0 43 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.905 109.2 48.7 -58.4 -40.6 3.0 19.3 27.7 75 81 A R H X S+ 0 0 126 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.962 116.6 40.8 -61.7 -51.1 3.0 17.0 30.8 76 82 A R H X S+ 0 0 94 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.915 117.6 46.5 -68.5 -45.0 3.3 13.8 28.8 77 83 A F H X S+ 0 0 6 -4,-3.4 4,-2.3 -5,-0.2 -1,-0.2 0.897 108.8 55.9 -66.1 -37.1 5.8 15.2 26.3 78 84 A G H X S+ 0 0 23 -4,-2.3 4,-2.0 -5,-0.4 -1,-0.2 0.913 107.9 49.2 -60.1 -40.3 7.9 16.8 29.1 79 85 A A H X S+ 0 0 46 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.902 108.8 52.9 -64.7 -40.4 8.2 13.3 30.7 80 86 A H H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.916 106.8 52.3 -60.4 -41.2 9.2 11.8 27.4 81 87 A V H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.911 109.0 49.3 -67.3 -36.9 12.0 14.4 27.0 82 88 A R H < S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.921 111.7 50.3 -66.0 -38.3 13.4 13.6 30.4 83 89 A A H < S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.874 118.1 38.8 -68.1 -31.2 13.2 9.8 29.5 84 90 A A H >< S+ 0 0 14 -4,-2.1 3,-2.2 -5,-0.2 4,-0.2 0.825 79.7 168.7 -86.2 -35.2 15.1 10.4 26.2 85 91 A G G >< S- 0 0 10 -4,-2.4 3,-2.0 1,-0.3 4,-0.2 -0.241 77.9 -11.5 47.5-136.6 17.6 13.0 27.3 86 92 A P G > S+ 0 0 74 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.692 129.1 75.4 -61.7 -19.4 20.2 13.5 24.5 87 93 A R G < S+ 0 0 182 -3,-2.2 -2,-0.2 1,-0.3 -71,-0.2 0.553 75.1 79.7 -72.6 -4.5 18.8 10.3 22.8 88 94 A L G < S+ 0 0 3 -3,-2.0 -72,-3.1 -4,-0.2 -1,-0.3 0.781 86.2 77.2 -57.5 -29.9 15.9 12.6 21.8 89 95 A L B < S-G 15 0B 15 -3,-1.8 -74,-0.3 -74,-0.3 3,-0.1 -0.588 91.5-109.5 -86.8 150.1 18.4 13.7 19.1 90 96 A Y > - 0 0 27 -76,-1.7 3,-1.6 -2,-0.2 4,-0.3 -0.355 54.2 -80.7 -63.9 153.7 19.3 11.8 15.9 91 97 A P T 3 S+ 0 0 113 0, 0.0 118,-0.2 0, 0.0 -1,-0.1 -0.274 115.7 19.0 -55.0 136.1 22.9 10.4 15.8 92 98 A G T 3> S+ 0 0 25 -3,-0.1 4,-2.2 117,-0.1 5,-0.2 0.462 86.8 119.0 86.7 2.5 25.4 13.0 15.0 93 99 A V H <> S+ 0 0 1 -3,-1.6 4,-2.7 2,-0.2 5,-0.2 0.977 78.0 38.7 -69.7 -54.7 23.3 16.1 15.8 94 100 A L H > S+ 0 0 32 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.933 119.1 48.5 -63.4 -42.0 25.4 17.7 18.5 95 101 A E H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 112.3 49.3 -62.1 -42.2 28.7 16.8 16.8 96 102 A G H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 110.3 49.4 -65.7 -42.4 27.4 18.2 13.5 97 103 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.918 109.4 53.3 -63.0 -38.8 26.2 21.5 15.1 98 104 A D H X S+ 0 0 72 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.891 108.5 50.1 -64.0 -39.0 29.6 21.8 16.8 99 105 A R H X S+ 0 0 135 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.892 109.3 50.8 -67.6 -36.7 31.3 21.4 13.4 100 106 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.3 0.947 111.8 47.6 -63.5 -45.7 29.1 24.0 11.8 101 107 A S H ><5S+ 0 0 52 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.933 107.9 55.9 -59.2 -41.3 30.0 26.4 14.6 102 108 A A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.0 51.5 -59.3 -36.6 33.7 25.6 14.2 103 109 A A T 3<5S- 0 0 39 -4,-1.7 -101,-2.3 -3,-0.2 -1,-0.3 0.418 126.6-101.1 -83.3 3.8 33.4 26.6 10.5 104 110 A G T < 5S+ 0 0 17 -3,-2.0 -101,-1.6 1,-0.3 -100,-0.7 0.676 71.6 145.8 83.8 22.8 31.8 30.0 11.6 105 111 A F E < -a 4 0A 22 -5,-2.4 2,-0.4 -102,-0.2 -1,-0.3 -0.730 44.1-136.0 -83.7 140.7 28.1 29.2 10.9 106 112 A R E -a 5 0A 92 -102,-2.8 -100,-2.5 -2,-0.4 2,-0.4 -0.856 23.9-145.6-100.8 132.7 25.7 30.9 13.3 107 113 A L E +a 6 0A 1 -2,-0.4 25,-3.0 23,-0.4 26,-1.0 -0.818 22.2 169.5-115.3 134.7 23.0 28.6 14.4 108 114 A A E -ac 7 133A 0 -102,-2.5 -100,-3.0 -2,-0.4 2,-0.4 -0.967 25.6-133.1-134.9 155.6 19.3 29.1 15.3 109 115 A M E -ac 8 134A 0 24,-2.3 26,-2.2 -2,-0.3 2,-0.4 -0.922 15.9-176.8-105.3 137.5 16.3 27.0 16.0 110 116 A A E + c 0 135A 0 -102,-2.4 2,-0.3 -2,-0.4 -100,-0.3 -0.929 22.6 167.1-130.2 100.9 12.9 27.7 14.3 111 117 A T - 0 0 0 24,-2.3 33,-0.1 -2,-0.4 26,-0.1 -0.822 47.6-134.1-116.9 155.7 10.4 25.3 15.6 112 118 A S S S+ 0 0 9 -66,-0.3 -63,-0.5 -2,-0.3 24,-0.1 0.570 83.4 97.7 -83.6 -5.9 6.6 24.9 15.6 113 119 A K S S- 0 0 22 -65,-0.1 24,-2.1 22,-0.1 25,-0.3 -0.379 92.9 -92.9 -65.9 157.0 6.8 24.1 19.3 114 120 A V > - 0 0 56 22,-0.3 4,-2.6 23,-0.2 3,-0.4 -0.371 39.8-111.0 -68.3 152.9 6.1 27.0 21.6 115 121 A E H > S+ 0 0 56 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.875 114.4 53.3 -60.6 -39.4 9.2 28.8 22.7 116 122 A K H > S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.903 112.0 46.1 -64.2 -38.3 9.3 27.7 26.3 117 123 A A H > S+ 0 0 29 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.910 111.5 52.9 -68.6 -38.8 9.0 24.0 25.2 118 124 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.920 110.2 47.5 -60.8 -44.2 11.7 24.5 22.6 119 125 A R H X S+ 0 0 80 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.915 111.1 50.3 -64.2 -45.1 14.0 26.0 25.2 120 126 A A H X S+ 0 0 39 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.923 112.3 47.4 -61.0 -45.7 13.4 23.2 27.7 121 127 A I H X S+ 0 0 6 -4,-2.6 4,-2.0 1,-0.2 6,-0.3 0.917 110.8 52.6 -59.4 -44.8 14.1 20.6 25.0 122 128 A A H X>S+ 0 0 0 -4,-2.4 6,-1.9 -5,-0.2 4,-1.5 0.912 111.3 47.0 -57.7 -43.6 17.2 22.5 24.0 123 129 A E H <5S+ 0 0 116 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.937 113.2 46.8 -67.2 -41.9 18.4 22.4 27.6 124 130 A L H <5S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.823 119.7 39.4 -73.1 -25.2 17.7 18.7 28.2 125 131 A T H <5S- 0 0 3 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.663 109.5-113.2 -96.7 -20.4 19.3 17.6 24.9 126 132 A G T ><5S+ 0 0 18 -4,-1.5 3,-0.7 -5,-0.2 4,-0.3 0.327 84.2 117.3 93.5 0.5 22.3 19.9 24.8 127 133 A L G >>< + 0 0 0 -5,-0.6 3,-2.0 -6,-0.3 4,-1.3 0.811 60.7 76.1 -62.6 -30.4 21.2 21.9 21.8 128 134 A D G 34 S+ 0 0 63 -6,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.845 89.7 51.8 -57.1 -34.8 21.1 25.0 23.9 129 135 A T G <4 S+ 0 0 110 -3,-0.7 -1,-0.3 -7,-0.3 -2,-0.1 0.563 112.3 47.7 -82.0 -5.7 24.8 25.6 24.1 130 136 A R T <4 S+ 0 0 52 -3,-2.0 2,-0.4 -4,-0.3 -23,-0.4 0.646 97.4 80.5-100.3 -20.6 25.1 25.4 20.2 131 137 A L < - 0 0 18 -4,-1.3 -23,-0.2 -3,-0.3 3,-0.1 -0.714 51.5-170.1-100.4 130.0 22.2 27.7 19.3 132 138 A T S S+ 0 0 99 -25,-3.0 2,-0.3 -2,-0.4 -24,-0.2 0.832 80.3 21.0 -81.5 -32.6 22.5 31.4 19.3 133 139 A V E -c 108 0A 30 -26,-1.0 -24,-2.3 2,-0.0 2,-0.4 -0.995 62.1-166.1-140.1 139.8 18.8 32.0 18.9 134 140 A I E +c 109 0A 32 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.999 12.7 174.3-126.2 129.9 15.7 29.9 19.6 135 141 A A E -c 110 0A 1 -26,-2.2 -24,-2.3 -2,-0.4 2,-0.2 -0.984 4.3-175.5-133.0 144.3 12.2 30.8 18.2 136 142 A G >> - 0 0 0 -2,-0.4 3,-1.8 -26,-0.2 4,-0.5 -0.628 47.7 -77.2-124.5-174.2 9.0 28.9 18.3 137 143 A D T 34 S+ 0 0 41 -24,-2.1 3,-0.4 1,-0.3 -23,-0.2 0.777 129.0 45.0 -60.2 -30.2 5.5 29.2 17.0 138 144 A D T 34 S+ 0 0 85 -25,-0.3 -1,-0.3 1,-0.2 -24,-0.1 0.414 91.8 82.4 -95.3 3.9 4.5 31.8 19.6 139 145 A S T <4 S+ 0 0 29 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.736 101.5 30.6 -74.3 -26.7 7.7 33.9 19.2 140 146 A V S < S- 0 0 25 -4,-0.5 3,-0.2 -3,-0.4 9,-0.1 -0.873 82.5-119.7-128.9 159.1 6.2 35.6 16.2 141 147 A E S S+ 0 0 181 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.921 105.7 42.4 -66.0 -44.7 2.7 36.5 15.2 142 148 A R S S- 0 0 106 -3,-0.0 7,-0.5 3,-0.0 -1,-0.2 -0.909 77.0-173.1-111.7 110.6 2.8 34.4 12.0 143 149 A G > - 0 0 8 -2,-0.7 3,-2.1 1,-0.2 5,-0.2 0.049 40.4 -4.0 -81.7-168.5 4.4 31.0 12.4 144 150 A K T 3 S+ 0 0 19 1,-0.3 -1,-0.2 -33,-0.1 29,-0.1 -0.353 119.9 32.8 -57.7 145.5 5.3 28.5 9.7 145 151 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 34,-0.2 -0.953 106.0 86.0 -85.9 7.2 4.8 28.4 6.7 146 152 A H S < S- 0 0 77 -3,-2.1 3,-0.5 1,-0.1 4,-0.3 -0.330 81.3-125.6 -67.7 153.3 5.1 32.2 6.9 147 153 A P S >> S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.654 86.2 96.1 -70.5 -16.7 8.7 33.6 6.6 148 154 A D H 3> S+ 0 0 41 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.797 79.3 50.6 -53.2 -45.4 8.5 35.6 9.8 149 155 A M H 3> S+ 0 0 0 -7,-0.5 4,-2.3 -3,-0.5 -1,-0.3 0.905 113.4 46.4 -60.6 -41.2 10.1 33.2 12.2 150 156 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.3 -2,-0.2 0.905 112.8 49.1 -68.1 -40.8 13.1 32.7 9.9 151 157 A L H X S+ 0 0 70 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.902 111.1 52.5 -63.3 -38.5 13.4 36.5 9.3 152 158 A H H X S+ 0 0 98 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.950 112.9 41.3 -66.0 -47.5 13.3 37.0 13.1 153 159 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.893 110.3 57.7 -72.8 -32.5 16.0 34.5 14.0 154 160 A A H X>S+ 0 0 2 -4,-2.5 5,-1.8 1,-0.2 4,-1.2 0.923 106.8 50.0 -58.7 -43.3 18.2 35.6 11.1 155 161 A R H ><5S+ 0 0 221 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.929 108.9 52.4 -60.8 -42.0 18.1 39.2 12.5 156 162 A G H 3<5S+ 0 0 50 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.853 110.4 47.4 -62.4 -33.2 19.1 37.7 15.9 157 163 A L H 3<5S- 0 0 7 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.691 109.4-124.7 -75.2 -23.7 22.0 35.9 14.3 158 164 A G T <<5S+ 0 0 53 -4,-1.2 -3,-0.2 -3,-0.5 -2,-0.1 0.694 71.3 122.5 79.0 26.3 23.1 39.1 12.4 159 165 A I < - 0 0 10 -5,-1.8 -1,-0.3 -53,-0.0 -2,-0.2 -0.961 61.3-125.1-121.7 132.9 23.0 37.3 9.1 160 166 A P > - 0 0 57 0, 0.0 3,-2.3 0, 0.0 -155,-0.2 -0.336 28.9-108.6 -73.6 157.9 20.9 38.4 6.1 161 167 A P G > S+ 0 0 30 0, 0.0 3,-2.1 0, 0.0 22,-0.3 0.813 116.3 65.2 -53.1 -35.2 18.5 35.9 4.5 162 168 A E G 3 S+ 0 0 145 1,-0.3 19,-0.1 20,-0.1 20,-0.1 0.548 105.9 45.1 -64.4 -14.6 20.6 35.6 1.4 163 169 A R G < S+ 0 0 94 -3,-2.3 -158,-2.6 20,-0.0 2,-0.4 0.129 99.9 90.2-115.4 21.5 23.3 34.1 3.7 164 170 A C E < -b 5 0A 5 -3,-2.1 19,-1.7 -160,-0.2 2,-0.4 -0.909 53.7-160.7-119.4 146.4 21.0 31.7 5.6 165 171 A V E -bd 6 183A 16 -160,-1.9 -158,-3.1 -2,-0.4 2,-0.5 -0.968 11.1-144.9-120.3 138.8 19.9 28.1 5.0 166 172 A V E -bd 7 184A 1 17,-2.6 19,-2.9 -2,-0.4 2,-0.5 -0.897 11.3-163.4 -99.6 132.5 16.9 26.5 6.5 167 173 A I E +bd 8 185A 0 -160,-2.6 -158,-2.6 -2,-0.5 2,-0.3 -0.975 29.4 135.3-116.6 120.3 17.1 22.8 7.3 168 174 A G E - d 0 186A 3 17,-1.7 19,-1.9 -2,-0.5 -156,-0.1 -0.994 54.4-135.8-161.9 165.3 13.9 20.9 7.9 169 175 A D S S+ 0 0 4 -158,-0.3 23,-0.7 -2,-0.3 2,-0.3 0.368 79.2 80.9-103.2 -4.3 11.7 17.8 7.3 170 176 A G S >> S- 0 0 7 21,-0.1 4,-1.7 1,-0.1 3,-0.7 -0.843 77.0-128.2-112.0 148.1 8.5 19.6 6.6 171 177 A V H 3> S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.904 112.8 58.5 -52.8 -40.8 6.8 21.3 3.8 172 178 A P H 3> S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.823 103.3 52.3 -62.1 -29.7 6.2 24.3 6.1 173 179 A D H <> S+ 0 0 7 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.908 111.5 45.5 -66.7 -45.0 9.9 24.6 6.7 174 180 A A H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.918 114.8 48.0 -65.4 -41.6 10.6 24.7 2.9 175 181 A E H X S+ 0 0 88 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.916 111.5 50.7 -65.0 -43.2 7.8 27.2 2.4 176 182 A M H X S+ 0 0 1 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.950 112.9 45.8 -57.9 -51.7 9.1 29.3 5.3 177 183 A G H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.3 0.941 113.5 47.5 -63.2 -43.8 12.6 29.4 3.9 178 184 A R H ><5S+ 0 0 148 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.938 111.5 50.7 -62.5 -42.7 11.6 30.1 0.4 179 185 A A H 3<5S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 109.1 52.8 -61.6 -34.2 9.3 32.9 1.5 180 186 A A T 3<5S- 0 0 10 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.415 118.4-110.7 -79.8 -4.2 12.2 34.3 3.5 181 187 A G T < 5S+ 0 0 48 -3,-1.7 2,-0.2 -4,-0.3 -3,-0.2 0.756 74.9 133.6 79.5 22.3 14.5 34.4 0.5 182 188 A M < - 0 0 10 -5,-2.7 -1,-0.3 -6,-0.2 -17,-0.2 -0.695 61.2-108.7-103.1 159.0 16.7 31.6 2.0 183 189 A T E -d 165 0A 75 -19,-1.7 -17,-2.6 -22,-0.3 2,-0.4 -0.513 35.9-146.1 -77.7 154.0 18.2 28.4 0.6 184 190 A V E -d 166 0A 2 17,-0.2 19,-2.4 -19,-0.2 20,-1.1 -0.990 15.9-167.0-130.1 129.1 16.5 25.2 1.9 185 191 A I E -de 167 204A 10 -19,-2.9 -17,-1.7 -2,-0.4 2,-0.3 -0.961 19.4-155.6-108.5 111.2 18.0 21.8 2.6 186 192 A G E -de 168 205A 1 18,-2.9 20,-2.5 -2,-0.6 2,-0.4 -0.639 1.6-148.1 -78.8 151.4 15.2 19.3 3.1 187 193 A V E - e 0 206A 0 -19,-1.9 3,-0.4 -2,-0.3 5,-0.3 -0.963 3.3-156.6-120.0 140.4 15.8 16.1 5.1 188 194 A S S S+ 0 0 28 18,-2.3 19,-0.2 -2,-0.4 -1,-0.1 0.395 77.5 77.8 -97.3 0.9 13.9 12.9 4.2 189 195 A Y S S+ 0 0 52 17,-0.3 -1,-0.2 -177,-0.1 4,-0.1 0.385 89.4 56.4 -97.1 4.6 14.1 11.1 7.6 190 196 A G S S- 0 0 23 -3,-0.4 -178,-0.1 2,-0.3 -177,-0.1 0.294 117.9 -41.3-106.7-131.2 11.3 13.0 9.3 191 197 A V S S+ 0 0 69 -180,-0.2 2,-0.3 -146,-0.1 -21,-0.1 0.632 113.0 62.4 -84.3 -12.0 7.7 13.6 8.3 192 198 A S S S- 0 0 9 -23,-0.7 -2,-0.3 -5,-0.3 -22,-0.0 -0.829 70.7-129.1-118.6 153.2 8.1 14.1 4.5 193 199 A G > - 0 0 35 -2,-0.3 4,-1.5 1,-0.1 5,-0.2 -0.428 35.8-105.0 -86.1 168.1 9.3 12.2 1.6 194 200 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.861 114.7 54.0 -65.6 -38.7 11.9 13.7 -0.8 195 201 A D H > S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.918 107.0 51.8 -65.5 -38.7 9.6 14.5 -3.7 196 202 A E H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.885 110.5 48.3 -61.2 -42.2 7.2 16.5 -1.5 197 203 A L H <>S+ 0 0 1 -4,-1.5 5,-2.4 2,-0.2 4,-0.3 0.898 112.0 49.4 -68.1 -40.1 10.1 18.6 -0.1 198 204 A M H ><5S+ 0 0 84 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.939 109.8 50.5 -58.8 -47.4 11.4 19.2 -3.6 199 205 A R H 3<5S+ 0 0 199 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.1 57.4 -63.9 -23.7 8.1 20.2 -4.9 200 206 A A T 3<5S- 0 0 18 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.459 131.5 -90.1 -83.1 -4.8 7.8 22.6 -1.9 201 207 A G T < 5 + 0 0 9 -3,-1.6 -17,-0.2 -4,-0.3 -3,-0.2 0.506 67.6 159.3 107.4 14.3 11.0 24.3 -3.0 202 208 A A < - 0 0 6 -5,-2.4 -1,-0.2 1,-0.2 -17,-0.2 -0.377 35.7-146.3 -62.3 138.5 13.9 22.5 -1.3 203 209 A D S S- 0 0 97 -19,-2.4 2,-0.3 1,-0.3 -18,-0.2 0.769 80.7 -6.8 -75.8 -32.0 17.1 23.2 -3.1 204 210 A T E -e 185 0A 64 -20,-1.1 -18,-2.9 -7,-0.1 2,-0.4 -0.966 64.1-139.3-153.3 160.9 18.3 19.7 -2.2 205 211 A V E -e 186 0A 28 -2,-0.3 2,-0.3 -20,-0.2 -18,-0.2 -0.999 18.8-169.7-122.8 133.8 17.1 16.8 -0.0 206 212 A V E -e 187 0A 20 -20,-2.5 -18,-2.3 -2,-0.4 -17,-0.3 -0.773 22.3-136.2-120.5 166.3 19.4 14.7 2.1 207 213 A D S S+ 0 0 118 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.1 0.362 79.9 26.3-108.6 2.9 18.9 11.4 4.1 208 214 A S S > S- 0 0 48 1,-0.1 4,-1.5 -118,-0.0 5,-0.1 -0.984 75.1-113.5-159.6 157.8 20.6 12.1 7.4 209 215 A F H > S+ 0 0 3 -2,-0.3 4,-2.5 -118,-0.2 3,-0.4 0.945 117.3 54.9 -66.4 -41.4 21.5 15.0 9.7 210 216 A P H > S+ 0 0 60 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 106.4 53.0 -55.0 -36.4 25.3 14.3 9.1 211 217 A A H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.861 106.9 51.3 -67.3 -32.5 24.6 14.6 5.4 212 218 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.4 -1,-0.2 0.933 109.8 50.1 -67.1 -41.8 22.8 18.0 6.0 213 219 A V H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.940 110.0 50.3 -60.8 -46.3 25.9 19.2 7.9 214 220 A T H X S+ 0 0 63 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.911 107.2 54.4 -57.8 -45.0 28.2 18.1 5.0 215 221 A A H X S+ 0 0 33 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.918 112.5 43.2 -56.5 -45.3 26.0 19.9 2.5 216 222 A V H >< S+ 0 0 12 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.960 114.1 49.5 -67.6 -49.1 26.4 23.2 4.5 217 223 A L H 3< S+ 0 0 52 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.900 112.7 46.9 -58.1 -42.4 30.1 22.7 5.2 218 224 A D H 3< 0 0 136 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.528 360.0 360.0 -83.5 -1.2 30.9 22.0 1.5 219 225 A G << 0 0 104 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.577 360.0 360.0 78.7 360.0 28.8 25.0 0.3