==== 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 4EX7 . 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, . 217 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 12.0 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 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.7 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 9 A D 0 0 108 0, 0.0 2,-0.3 0, 0.0 102,-0.2 0.000 360.0 360.0 360.0 48.7 29.5 34.7 8.8 2 10 A R E -a 103 0A 115 100,-0.7 102,-2.5 155,-0.1 2,-0.3 -0.847 360.0-125.5-132.8 165.8 26.4 32.7 7.7 3 11 A G E -ab 104 162A 1 158,-2.5 160,-2.0 -2,-0.3 2,-0.4 -0.877 8.6-160.8-121.4 148.0 23.4 31.4 9.5 4 12 A V E -ab 105 163A 0 100,-2.4 102,-2.5 -2,-0.3 2,-0.6 -0.995 8.9-164.3-127.7 121.1 21.7 28.0 9.9 5 13 A I E -ab 106 164A 1 158,-3.0 160,-2.6 -2,-0.4 2,-0.4 -0.947 14.0-162.8-111.2 118.4 18.1 28.0 11.0 6 14 A L E -ab 107 165A 1 100,-3.0 102,-2.4 -2,-0.6 160,-0.2 -0.856 15.5-136.7-113.8 131.2 17.0 24.5 12.2 7 15 A D > - 0 0 10 158,-2.5 5,-0.6 -2,-0.4 102,-0.2 -0.429 16.3-149.2 -70.1 156.7 13.6 23.0 12.7 8 16 A L T >>>S+ 0 0 0 100,-0.3 5,-2.7 3,-0.2 3,-1.9 0.903 71.2 61.9 -92.6 -72.6 13.2 20.9 15.9 9 17 A D B 345S+f 13 0B 7 1,-0.3 158,-0.3 3,-0.2 180,-0.2 -0.419 123.0 0.8 -69.6 121.3 10.7 18.1 15.5 10 18 A G T 345S+ 0 0 0 3,-2.8 -1,-0.3 -2,-0.3 4,-0.1 0.486 133.4 56.6 84.1 4.4 11.7 15.6 12.9 11 19 A T T <45S+ 0 0 0 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.2 0.587 125.7 4.7-127.6 -65.0 15.0 17.5 12.1 12 20 A L T < + 0 0 1 -2,-2.0 4,-3.0 -7,-0.1 5,-0.3 0.554 28.2 98.2-108.6 -9.8 10.0 13.1 18.1 16 24 A P H > S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.880 90.9 44.9 -52.0 -41.7 7.5 12.2 15.4 17 25 A A H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.941 115.6 46.6 -67.9 -43.8 6.6 8.8 16.9 18 26 A A H > S+ 0 0 15 -4,-0.2 4,-3.0 1,-0.2 5,-0.3 0.872 110.4 53.9 -64.8 -39.2 6.3 10.2 20.5 19 27 A I H X S+ 0 0 8 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.946 111.0 45.7 -60.1 -46.6 4.2 13.1 19.2 20 28 A A H X S+ 0 0 19 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.939 116.5 45.3 -61.1 -48.2 1.8 10.7 17.5 21 29 A T H X S+ 0 0 81 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.929 115.1 45.4 -63.2 -47.4 1.6 8.5 20.6 22 30 A I H X S+ 0 0 9 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.885 109.1 56.5 -69.9 -33.2 1.3 11.3 23.2 23 31 A T H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.957 109.8 46.9 -57.7 -48.9 -1.4 13.0 21.0 24 32 A A H X S+ 0 0 43 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.895 109.8 52.8 -59.3 -41.0 -3.3 9.7 21.2 25 33 A E H X S+ 0 0 69 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.915 110.3 48.7 -58.8 -44.3 -2.8 9.5 25.0 26 34 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.926 110.2 49.5 -67.0 -45.5 -4.2 13.0 25.4 27 35 A L H <>S+ 0 0 2 -4,-2.4 5,-2.7 2,-0.2 -1,-0.2 0.925 111.2 50.7 -58.8 -40.5 -7.2 12.3 23.2 28 36 A A H ><5S+ 0 0 68 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.914 107.4 52.9 -65.6 -37.9 -7.9 9.1 25.3 29 37 A A H 3<5S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 107.1 52.7 -61.5 -35.6 -7.6 11.2 28.5 30 38 A M T 3<5S- 0 0 71 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.376 125.5-107.8 -80.3 1.8 -10.2 13.5 27.0 31 39 A G T < 5S+ 0 0 69 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.659 85.3 85.5 83.9 20.2 -12.4 10.4 26.4 32 40 A T < - 0 0 64 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.742 51.4-159.6-143.5-177.8 -12.0 10.2 22.7 33 41 A A - 0 0 79 -2,-0.2 2,-0.3 -3,-0.1 -9,-0.0 -0.955 6.3-159.5-161.3 159.4 -9.9 9.0 19.7 34 42 A V - 0 0 47 -2,-0.3 21,-0.1 1,-0.0 20,-0.0 -0.903 40.6 -66.2-140.6 173.7 -9.5 9.9 16.1 35 43 A S > - 0 0 78 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.227 39.5-123.3 -63.5 148.9 -8.1 8.1 13.0 36 44 A R H > S+ 0 0 205 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 112.9 54.9 -53.8 -44.7 -4.4 7.3 12.9 37 45 A G H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 104.1 54.9 -63.2 -33.6 -4.1 9.3 9.6 38 46 A A H > S+ 0 0 29 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.945 110.0 45.3 -64.6 -48.2 -5.6 12.4 11.2 39 47 A I H >X S+ 0 0 16 -4,-1.9 3,-1.7 1,-0.2 4,-0.6 0.948 111.4 52.9 -58.6 -45.9 -3.0 12.3 14.0 40 48 A L H >< S+ 0 0 94 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.872 101.1 60.6 -60.9 -34.8 -0.2 11.7 11.5 41 49 A S H 3< S+ 0 0 80 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.684 107.6 46.4 -65.9 -18.0 -1.3 14.7 9.5 42 50 A T H X< S+ 0 0 19 -3,-1.7 3,-2.4 -4,-0.6 -1,-0.2 0.526 76.9 131.4 -98.7 -11.1 -0.6 17.0 12.5 43 51 A V T << S+ 0 0 11 -3,-1.1 146,-0.1 -4,-0.6 -26,-0.0 -0.202 82.6 1.8 -60.2 123.2 2.7 15.7 13.7 44 52 A G T 3 S+ 0 0 25 1,-0.3 66,-0.3 -29,-0.1 -1,-0.3 0.335 102.7 117.6 87.1 -6.4 5.1 18.6 14.3 45 53 A R S < S- 0 0 121 -3,-2.4 -1,-0.3 1,-0.2 5,-0.1 -0.368 84.6 -58.2 -84.9 170.3 2.6 21.3 13.5 46 54 A P > - 0 0 27 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 -0.217 54.4-137.2 -54.8 136.6 1.5 23.9 16.1 47 55 A L H > S+ 0 0 24 63,-0.5 4,-3.0 2,-0.2 5,-0.3 0.935 92.3 45.0 -72.7 -53.3 0.0 22.1 19.0 48 56 A P H > S+ 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.956 116.9 46.9 -59.7 -44.9 -3.1 23.9 20.1 49 57 A A H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.891 113.9 49.4 -57.7 -40.7 -4.3 24.3 16.4 50 58 A S H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.929 112.1 46.3 -64.7 -48.0 -3.6 20.6 15.8 51 59 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.899 111.5 52.7 -63.7 -39.7 -5.4 19.4 18.9 52 60 A A H X>S+ 0 0 2 -4,-2.7 5,-2.2 -5,-0.3 4,-1.3 0.923 110.5 47.9 -59.8 -43.8 -8.4 21.7 18.0 53 61 A G H <5S+ 0 0 60 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.884 112.5 48.0 -64.8 -40.2 -8.5 20.2 14.6 54 62 A L H <5S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.0 45.0 -68.3 -40.3 -8.3 16.6 15.9 55 63 A L H <5S- 0 0 37 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.684 108.7-128.2 -73.5 -20.0 -11.1 17.3 18.5 56 64 A G T <5 + 0 0 67 -4,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.886 66.8 117.6 72.2 41.7 -13.1 19.1 15.8 57 65 A V S - 0 0 80 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.316 42.4-118.1 -58.6 148.3 -12.8 26.0 17.7 59 67 A V T 3 S+ 0 0 78 1,-0.3 6,-0.1 5,-0.1 5,-0.1 0.804 115.4 56.2 -61.5 -26.2 -9.3 26.7 18.9 60 68 A E T 3 S+ 0 0 156 4,-0.1 -1,-0.3 3,-0.1 5,-0.0 0.456 77.6 118.5 -84.7 -3.7 -10.8 28.8 21.7 61 69 A D S X> S- 0 0 36 -3,-2.0 3,-2.1 1,-0.1 4,-0.9 -0.447 74.5-125.1 -60.5 132.6 -12.9 25.9 23.1 62 70 A P H 3> S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.785 108.4 68.9 -53.9 -27.9 -11.9 25.2 26.7 63 71 A R H 3> S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.790 94.9 56.7 -60.4 -28.4 -11.3 21.5 25.6 64 72 A V H <> S+ 0 0 3 -3,-2.1 4,-2.8 -6,-0.2 -1,-0.2 0.936 106.7 46.2 -69.1 -47.8 -8.3 22.7 23.6 65 73 A A H X S+ 0 0 65 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.890 112.7 52.0 -59.0 -40.0 -6.6 24.3 26.6 66 74 A E H X S+ 0 0 98 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.939 113.0 43.8 -62.0 -48.1 -7.3 21.2 28.6 67 75 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.887 112.3 52.5 -66.0 -40.5 -5.8 19.0 25.9 68 76 A T H X S+ 0 0 36 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.906 110.6 47.8 -64.0 -41.0 -2.8 21.3 25.4 69 77 A E H X S+ 0 0 123 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.916 112.4 48.3 -66.3 -43.0 -2.0 21.3 29.1 70 78 A E H X S+ 0 0 34 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.920 111.3 51.2 -63.2 -43.0 -2.2 17.5 29.4 71 79 A Y H X S+ 0 0 4 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.923 107.5 53.4 -58.2 -46.3 -0.0 17.2 26.3 72 80 A G H X S+ 0 0 41 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.901 109.1 48.9 -57.0 -41.1 2.5 19.5 27.9 73 81 A R H X S+ 0 0 125 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.952 116.3 41.1 -63.4 -49.4 2.7 17.4 31.0 74 82 A R H X S+ 0 0 93 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.902 117.1 47.1 -68.5 -43.6 3.1 14.1 29.1 75 83 A F H X S+ 0 0 7 -4,-3.3 4,-2.5 -5,-0.2 -1,-0.2 0.898 109.5 54.0 -67.2 -37.8 5.6 15.5 26.6 76 84 A G H X S+ 0 0 22 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.902 108.6 49.9 -61.0 -41.9 7.6 17.2 29.3 77 85 A A H X S+ 0 0 47 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.903 109.6 51.7 -61.9 -40.9 7.9 13.9 31.1 78 86 A H H X S+ 0 0 71 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.918 109.5 49.0 -61.4 -43.6 9.0 12.2 27.8 79 87 A V H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.911 110.4 50.0 -66.3 -39.7 11.7 14.8 27.3 80 88 A R H < S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 111.4 50.4 -65.1 -37.7 13.1 14.4 30.8 81 89 A A H < S+ 0 0 70 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.885 118.2 38.3 -63.9 -36.9 13.1 10.6 30.3 82 90 A A H >< S+ 0 0 13 -4,-2.0 3,-2.0 -5,-0.1 -2,-0.2 0.866 76.7 167.6 -85.4 -41.4 15.0 11.0 27.0 83 91 A G G >< S- 0 0 10 -4,-2.9 3,-2.3 1,-0.3 4,-0.2 -0.315 79.4 -7.0 55.0-139.3 17.5 13.8 27.6 84 92 A P G > S+ 0 0 79 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.721 126.3 76.7 -57.7 -19.9 20.1 14.0 24.9 85 93 A R G < S+ 0 0 189 -3,-2.0 -2,-0.2 1,-0.3 -71,-0.1 0.631 76.8 76.3 -65.3 -13.2 18.6 10.7 23.5 86 94 A L G < S+ 0 0 4 -3,-2.3 -72,-2.9 -7,-0.2 -1,-0.3 0.784 84.6 82.3 -64.7 -25.6 15.8 12.8 22.1 87 95 A L B < S-G 13 0B 15 -3,-1.8 -74,-0.2 -74,-0.3 3,-0.1 -0.481 89.0-106.6 -84.8 150.7 18.1 13.9 19.4 88 96 A Y > - 0 0 28 -76,-1.9 3,-1.7 -2,-0.2 4,-0.3 -0.355 53.5 -83.6 -63.8 150.4 19.0 12.1 16.2 89 97 A P T 3 S+ 0 0 111 0, 0.0 118,-0.2 0, 0.0 -1,-0.1 -0.317 115.1 20.1 -54.5 135.7 22.5 10.6 16.1 90 98 A G T 3> S+ 0 0 21 117,-0.1 4,-2.2 -3,-0.1 5,-0.2 0.418 87.8 116.0 89.6 -5.2 25.1 13.1 15.1 91 99 A V H <> S+ 0 0 0 -3,-1.7 4,-2.8 2,-0.2 5,-0.2 0.976 77.9 39.5 -67.6 -56.1 23.1 16.2 15.9 92 100 A L H > S+ 0 0 34 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.931 119.5 47.8 -59.1 -44.2 25.3 17.7 18.7 93 101 A E H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 112.9 49.5 -62.5 -39.7 28.5 16.8 16.9 94 102 A G H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.916 109.7 49.7 -66.1 -45.1 27.2 18.2 13.7 95 103 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.909 109.2 53.4 -60.7 -40.2 26.1 21.5 15.3 96 104 A D H X S+ 0 0 72 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.897 108.0 50.7 -61.0 -39.9 29.6 21.8 16.9 97 105 A R H X S+ 0 0 137 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.873 109.6 50.1 -65.4 -37.6 31.2 21.3 13.4 98 106 A L H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-0.3 0.935 111.1 48.7 -66.5 -43.8 29.0 24.0 12.0 99 107 A S H ><5S+ 0 0 52 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.925 108.1 54.8 -59.6 -42.8 29.9 26.4 14.9 100 108 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 105.3 53.1 -60.1 -32.2 33.6 25.5 14.3 101 109 A A T 3<5S- 0 0 57 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.426 126.8-100.1 -85.7 1.7 33.2 26.6 10.6 102 110 A G T < 5S+ 0 0 37 -3,-1.8 -100,-0.7 1,-0.3 2,-0.3 0.579 72.9 143.9 94.5 12.4 31.8 29.9 11.7 103 111 A F E < -a 2 0A 35 -5,-2.3 2,-0.4 -102,-0.2 -1,-0.3 -0.683 43.5-138.7 -81.9 139.7 28.1 29.4 11.3 104 112 A R E -a 3 0A 95 -102,-2.5 -100,-2.4 -2,-0.3 2,-0.4 -0.822 24.7-145.6 -95.6 137.4 25.7 31.0 13.7 105 113 A L E +a 4 0A 1 -2,-0.4 25,-2.8 23,-0.4 26,-1.1 -0.840 21.2 173.1-118.2 138.9 22.8 28.6 14.7 106 114 A A E -ac 5 131A 0 -102,-2.5 -100,-3.0 -2,-0.4 2,-0.4 -0.957 23.9-133.5-137.5 156.6 19.2 29.1 15.5 107 115 A M E -ac 6 132A 0 24,-2.1 26,-2.3 -2,-0.3 2,-0.4 -0.929 16.2-177.4-107.7 137.5 16.1 27.0 16.2 108 116 A A E + c 0 133A 0 -102,-2.4 2,-0.3 -2,-0.4 -100,-0.3 -0.927 21.8 165.5-132.5 105.5 12.7 27.9 14.5 109 117 A T - 0 0 0 24,-2.2 33,-0.1 -2,-0.4 7,-0.1 -0.843 48.8-132.6-124.5 154.0 10.1 25.4 15.8 110 118 A S S S+ 0 0 9 -66,-0.3 -63,-0.5 -2,-0.3 24,-0.1 0.542 84.0 98.3 -82.1 -4.4 6.3 25.2 15.7 111 119 A K S S- 0 0 23 22,-0.1 24,-2.1 -65,-0.1 25,-0.2 -0.401 93.4 -92.2 -67.1 155.4 6.5 24.3 19.5 112 120 A V > - 0 0 56 22,-0.2 4,-2.4 23,-0.2 3,-0.5 -0.406 39.0-110.2 -67.9 154.4 5.8 27.2 21.8 113 121 A E H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.844 115.2 52.9 -58.0 -41.5 9.0 29.1 22.8 114 122 A K H > S+ 0 0 150 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 112.1 46.6 -63.2 -38.3 9.0 28.0 26.5 115 123 A A H > S+ 0 0 30 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.903 110.9 53.0 -68.7 -42.1 8.8 24.3 25.4 116 124 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.900 110.7 46.3 -59.1 -44.5 11.5 24.9 22.8 117 125 A R H X S+ 0 0 84 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.891 111.5 51.3 -66.0 -42.5 13.9 26.3 25.4 118 126 A A H X S+ 0 0 41 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.937 111.9 47.1 -61.2 -44.4 13.1 23.5 27.9 119 127 A I H X S+ 0 0 7 -4,-2.6 4,-1.7 1,-0.2 6,-0.3 0.933 110.9 52.3 -61.5 -42.4 13.9 20.9 25.2 120 128 A A H X>S+ 0 0 0 -4,-2.3 6,-2.0 1,-0.2 4,-1.5 0.909 111.1 47.8 -61.2 -41.6 17.1 22.7 24.3 121 129 A E H <5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 113.2 46.5 -66.2 -41.6 18.2 22.7 27.9 122 130 A L H <5S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.704 119.4 39.9 -75.2 -22.0 17.4 19.0 28.5 123 131 A T H <5S- 0 0 2 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.617 109.5-112.4-101.4 -17.7 19.1 17.9 25.2 124 132 A G T ><5S+ 0 0 17 -4,-1.5 3,-0.7 -5,-0.2 4,-0.2 0.379 85.0 117.6 94.1 0.4 22.2 20.1 25.1 125 133 A L G >>< + 0 0 0 -5,-0.7 3,-1.9 -6,-0.3 4,-1.5 0.795 61.0 76.4 -62.5 -29.4 21.1 22.1 22.1 126 134 A D G 34 S+ 0 0 66 -6,-2.0 -1,-0.2 1,-0.3 -5,-0.1 0.818 89.9 51.8 -57.4 -34.2 21.0 25.2 24.3 127 135 A T G <4 S+ 0 0 111 -3,-0.7 -1,-0.3 -7,-0.3 -2,-0.1 0.542 113.9 45.2 -81.9 -6.1 24.8 25.6 24.3 128 136 A R T <4 S+ 0 0 53 -3,-1.9 2,-0.4 -4,-0.2 -23,-0.4 0.651 97.4 81.8-102.8 -24.2 25.0 25.5 20.5 129 137 A L < - 0 0 18 -4,-1.5 -23,-0.2 1,-0.1 3,-0.1 -0.729 49.7-171.1 -96.2 130.1 22.1 27.8 19.6 130 138 A T S S+ 0 0 92 -25,-2.8 2,-0.3 -2,-0.4 -24,-0.2 0.820 79.6 20.0 -80.5 -34.2 22.4 31.5 19.6 131 139 A V E -c 106 0A 30 -26,-1.1 -24,-2.1 2,-0.0 2,-0.4 -0.995 61.7-165.5-139.7 141.7 18.6 32.1 19.1 132 140 A I E +c 107 0A 35 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.996 12.4 176.0-128.2 126.2 15.5 30.1 19.8 133 141 A A E -c 108 0A 2 -26,-2.3 -24,-2.2 -2,-0.4 2,-0.2 -0.980 3.3-176.0-128.2 143.5 12.1 31.0 18.4 134 142 A G >> - 0 0 0 -2,-0.4 3,-1.8 -26,-0.2 4,-0.5 -0.622 47.7 -78.2-123.7-173.5 8.7 29.1 18.5 135 143 A D T 34 S+ 0 0 45 -24,-2.1 3,-0.4 1,-0.3 -23,-0.2 0.778 128.5 45.3 -60.6 -32.3 5.2 29.5 17.2 136 144 A D T 34 S+ 0 0 90 -25,-0.2 -1,-0.3 1,-0.2 -24,-0.1 0.365 91.6 81.9 -93.2 2.5 4.3 32.1 19.8 137 145 A S T <4 S+ 0 0 26 -3,-1.8 2,-0.3 1,-0.0 -1,-0.2 0.755 101.2 32.0 -74.8 -24.4 7.5 34.2 19.4 138 146 A V S < S- 0 0 27 -4,-0.5 3,-0.1 -3,-0.4 9,-0.1 -0.887 80.8-121.1-129.8 157.8 6.0 35.8 16.3 139 147 A E S S+ 0 0 182 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.917 105.2 42.6 -64.5 -43.8 2.5 36.8 15.2 140 148 A R S S- 0 0 107 -3,-0.1 7,-0.5 3,-0.0 -1,-0.2 -0.912 77.7-170.1-113.4 109.8 2.6 34.7 12.1 141 149 A G > - 0 0 11 -2,-0.6 3,-2.1 1,-0.2 5,-0.2 0.025 40.0 -8.0 -79.0-170.0 4.1 31.2 12.5 142 150 A K T 3 S+ 0 0 22 1,-0.3 -1,-0.2 -33,-0.1 29,-0.1 -0.362 119.8 34.2 -59.6 144.0 5.1 28.7 9.8 143 151 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 34,-0.2 -0.963 104.8 85.7 -90.5 12.1 4.6 28.6 6.9 144 152 A H S < S- 0 0 79 -3,-2.1 3,-0.5 1,-0.1 4,-0.3 -0.297 81.8-124.2 -68.1 155.0 5.0 32.4 6.9 145 153 A P S >> S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.682 87.2 96.1 -73.2 -15.4 8.6 33.8 6.7 146 154 A D H 3> S+ 0 0 40 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.786 79.0 51.0 -51.5 -45.5 8.3 35.8 9.9 147 155 A M H 3> S+ 0 0 0 -3,-0.5 4,-2.2 -7,-0.5 -1,-0.3 0.899 112.9 46.9 -61.4 -40.0 9.9 33.3 12.3 148 156 A A H <> S+ 0 0 0 -3,-0.9 4,-2.5 -4,-0.3 -2,-0.2 0.916 112.8 49.2 -69.2 -42.3 12.9 32.9 10.1 149 157 A L H X S+ 0 0 73 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.885 110.8 51.6 -61.1 -38.9 13.3 36.6 9.6 150 158 A H H X S+ 0 0 64 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.925 112.3 44.0 -64.8 -46.8 13.0 37.1 13.4 151 159 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.904 109.5 56.6 -70.1 -34.0 15.7 34.6 14.1 152 160 A A H X>S+ 0 0 1 -4,-2.5 5,-2.1 1,-0.2 4,-1.2 0.935 108.4 48.5 -59.4 -43.2 18.0 36.0 11.3 153 161 A R H ><5S+ 0 0 178 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.917 109.7 52.4 -59.8 -46.0 17.7 39.3 13.1 154 162 A G H 3<5S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.848 111.5 46.2 -56.3 -38.3 18.6 37.6 16.3 155 163 A L H 3<5S- 0 0 6 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.658 107.7-126.7 -76.6 -19.5 21.7 36.1 14.7 156 164 A G T <<5S+ 0 0 54 -4,-1.2 -3,-0.2 -3,-0.5 -4,-0.1 0.778 70.3 125.1 72.7 28.6 22.7 39.4 13.1 157 165 A I < - 0 0 3 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.969 65.3-117.6-122.1 128.8 22.8 37.6 9.7 158 166 A P > - 0 0 59 0, 0.0 3,-2.3 0, 0.0 -155,-0.2 -0.361 28.5-113.8 -65.2 150.3 20.9 38.9 6.7 159 167 A P G > S+ 0 0 29 0, 0.0 3,-2.0 0, 0.0 -156,-0.1 0.831 114.2 65.4 -53.7 -35.0 18.3 36.4 5.4 160 168 A E G 3 S+ 0 0 137 1,-0.3 21,-0.1 20,-0.1 19,-0.1 0.691 102.4 48.2 -57.3 -27.2 20.3 36.0 2.1 161 169 A R G < S+ 0 0 96 -3,-2.3 -158,-2.5 19,-0.1 2,-0.3 0.134 97.4 93.4-105.9 19.6 23.1 34.4 4.1 162 170 A C E < -b 3 0A 4 -3,-2.0 19,-1.4 -160,-0.2 2,-0.4 -0.869 55.1-159.5-112.4 146.7 20.9 32.0 6.0 163 171 A V E -bd 4 181A 17 -160,-2.0 -158,-3.0 -2,-0.3 2,-0.4 -0.973 10.8-144.7-121.7 138.7 19.9 28.4 5.2 164 172 A V E -bd 5 182A 1 17,-2.7 19,-3.0 -2,-0.4 2,-0.5 -0.889 11.0-166.0-102.2 132.9 16.9 26.6 6.7 165 173 A I E +bd 6 183A 0 -160,-2.6 -158,-2.5 -2,-0.4 2,-0.3 -0.984 28.1 134.7-119.4 122.6 17.1 22.9 7.5 166 174 A G E - d 0 184A 3 17,-1.7 19,-1.7 -2,-0.5 -156,-0.1 -0.995 54.2-134.5-163.3 167.5 13.8 21.1 8.1 167 175 A D S S+ 0 0 4 -158,-0.3 23,-0.7 -2,-0.3 2,-0.3 0.407 79.0 82.2-104.9 -3.3 11.7 18.0 7.5 168 176 A G S >> S- 0 0 7 1,-0.1 4,-1.7 21,-0.1 3,-0.8 -0.801 76.1-129.2-113.0 149.0 8.4 19.8 6.9 169 177 A V H 3> S+ 0 0 21 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.907 112.3 59.0 -53.7 -39.7 6.7 21.5 4.0 170 178 A P H 3> S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.831 103.1 52.0 -62.0 -29.5 6.1 24.5 6.3 171 179 A D H <> S+ 0 0 8 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.901 111.2 46.4 -68.4 -44.6 9.8 24.8 6.8 172 180 A A H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.920 114.7 47.3 -63.8 -44.3 10.5 24.9 3.1 173 181 A E H X S+ 0 0 86 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.922 112.5 49.9 -63.3 -42.6 7.7 27.4 2.5 174 182 A M H X S+ 0 0 1 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.946 113.6 45.6 -60.8 -48.4 9.0 29.6 5.4 175 183 A G H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 4,-0.4 0.937 113.3 47.7 -62.9 -47.8 12.6 29.6 4.1 176 184 A R H ><5S+ 0 0 133 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.922 112.0 50.7 -60.3 -44.0 11.6 30.3 0.5 177 185 A A H 3<5S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 109.3 51.8 -64.4 -28.1 9.3 33.1 1.6 178 186 A A T 3<5S- 0 0 9 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.438 119.2-110.5 -86.5 -1.7 12.1 34.6 3.7 179 187 A G T < 5S+ 0 0 49 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.763 74.0 134.3 76.3 27.7 14.6 34.5 0.7 180 188 A M < - 0 0 7 -5,-2.7 -1,-0.3 -6,-0.2 -17,-0.2 -0.747 61.3-107.3-109.0 155.0 16.7 31.7 2.2 181 189 A T E -d 163 0A 70 -19,-1.4 -17,-2.7 -2,-0.3 2,-0.4 -0.491 36.6-146.5 -71.2 150.0 18.2 28.6 0.9 182 190 A V E -d 164 0A 2 17,-0.2 19,-2.3 -19,-0.2 20,-1.0 -0.989 16.2-168.8-130.4 124.8 16.4 25.4 2.1 183 191 A I E -de 165 202A 10 -19,-3.0 -17,-1.7 -2,-0.4 2,-0.2 -0.962 18.9-157.1-105.6 110.3 17.9 22.0 2.8 184 192 A G E -de 166 203A 2 18,-2.9 20,-2.5 -2,-0.6 2,-0.4 -0.586 2.1-147.6 -80.1 153.0 15.0 19.5 3.3 185 193 A V E - e 0 204A 0 -19,-1.7 3,-0.4 18,-0.2 5,-0.3 -0.962 5.0-157.4-122.0 141.8 15.6 16.3 5.2 186 194 A S S S+ 0 0 30 18,-2.3 19,-0.1 -2,-0.4 -1,-0.1 0.410 77.6 78.8 -98.8 0.2 13.7 13.1 4.4 187 195 A Y S S+ 0 0 52 17,-0.3 -1,-0.2 -177,-0.1 4,-0.1 0.368 90.6 56.3 -93.8 1.0 14.0 11.2 7.7 188 196 A G S S- 0 0 23 -3,-0.4 -178,-0.1 2,-0.3 -177,-0.1 0.260 117.9 -42.9-101.6-132.8 11.1 13.2 9.4 189 197 A V S S+ 0 0 69 -180,-0.2 2,-0.3 -146,-0.1 -21,-0.1 0.631 111.7 64.9 -82.9 -14.8 7.5 13.8 8.4 190 198 A S S S- 0 0 10 -23,-0.7 -2,-0.3 -5,-0.3 -22,-0.0 -0.804 70.1-129.7-115.9 150.1 7.9 14.4 4.7 191 199 A G > - 0 0 34 -2,-0.3 4,-1.6 -4,-0.1 5,-0.1 -0.468 34.8-107.5 -81.1 167.8 9.1 12.5 1.7 192 200 A P H > S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.842 113.8 53.5 -70.7 -35.6 11.7 14.0 -0.7 193 201 A D H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 107.3 51.6 -68.3 -38.6 9.4 14.8 -3.6 194 202 A E H > S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.887 111.0 48.6 -63.4 -38.1 7.0 16.8 -1.4 195 203 A L H <>S+ 0 0 1 -4,-1.6 5,-2.4 2,-0.2 4,-0.3 0.917 111.7 48.3 -69.1 -43.0 9.9 18.8 -0.0 196 204 A M H ><5S+ 0 0 84 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.918 110.8 51.8 -59.5 -41.5 11.3 19.5 -3.5 197 205 A R H 3<5S+ 0 0 188 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.827 105.5 55.3 -66.9 -27.2 7.9 20.5 -4.7 198 206 A A T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.438 132.5 -87.9 -82.1 -4.7 7.6 22.9 -1.7 199 207 A G T < 5 + 0 0 10 -3,-1.4 -17,-0.2 -4,-0.3 -3,-0.2 0.475 68.1 159.0 113.3 7.5 10.8 24.6 -2.8 200 208 A A < - 0 0 6 -5,-2.4 -1,-0.3 1,-0.2 -17,-0.2 -0.319 36.2-145.8 -57.4 138.1 13.7 22.8 -1.1 201 209 A D S S- 0 0 89 -19,-2.3 2,-0.3 1,-0.3 -18,-0.2 0.808 80.7 -11.2 -74.2 -32.3 16.9 23.4 -2.9 202 210 A T E -e 183 0A 64 -20,-1.0 -18,-2.9 -7,-0.0 2,-0.4 -0.952 63.8-137.7-156.7 163.4 18.0 19.9 -2.1 203 211 A V E -e 184 0A 26 -2,-0.3 2,-0.3 -20,-0.2 -18,-0.2 -1.000 18.5-170.0-129.6 132.1 16.9 17.0 0.1 204 212 A V E -e 185 0A 21 -20,-2.5 -18,-2.3 -2,-0.4 -17,-0.3 -0.783 22.8-134.5-119.1 164.9 19.2 14.9 2.2 205 213 A D S S+ 0 0 117 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.1 0.353 79.6 25.5-108.3 6.6 18.6 11.6 4.2 206 214 A S S > S- 0 0 48 1,-0.1 4,-1.5 -118,-0.0 5,-0.1 -0.981 75.0-112.1-159.8 160.7 20.4 12.2 7.5 207 215 A F H > S+ 0 0 3 -2,-0.3 4,-2.4 -118,-0.2 3,-0.3 0.933 117.1 54.3 -65.2 -44.9 21.5 15.1 9.8 208 216 A P H > S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.885 107.2 53.3 -53.7 -36.5 25.2 14.5 9.2 209 217 A A H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.860 107.1 51.2 -66.0 -34.6 24.4 14.8 5.4 210 218 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.912 109.7 49.9 -66.7 -40.9 22.7 18.1 6.1 211 219 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.932 110.3 50.2 -62.4 -44.4 25.8 19.3 8.0 212 220 A T H X S+ 0 0 60 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.917 107.3 54.4 -61.3 -42.1 28.1 18.2 5.1 213 221 A A H X S+ 0 0 33 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.916 112.0 44.1 -57.1 -44.9 25.9 20.0 2.6 214 222 A V H >< S+ 0 0 13 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.944 114.0 49.1 -65.7 -47.8 26.3 23.3 4.6 215 223 A L H 3< S+ 0 0 53 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.853 111.7 48.3 -61.0 -39.2 30.0 22.8 5.2 216 224 A D H 3< 0 0 138 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.532 360.0 360.0 -83.0 -9.3 30.8 22.1 1.5 217 225 A G << 0 0 104 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.643 360.0 360.0 91.3 360.0 28.7 25.2 0.5