==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAR-01 1I74 . COMPND 2 MOLECULE: PROBABLE MANGANESE-DEPENDENT INORGANIC . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR M.C.MERCKEL,I.P.FABRICHNIY,A.GOLDMAN,R.LAHTI,A.SALMINEN . 618 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.6 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 . 51 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.4 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 7 0 0 1 2 2 0 3 3 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 2 0 0 2 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 1 2 0 2 0 2 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 0 1 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 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 1 A S 0 0 121 0, 0.0 2,-0.6 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 10.7 15.4 27.8 6.0 2 2 A K - 0 0 84 65,-0.3 2,-0.6 31,-0.1 68,-0.3 -0.648 360.0-136.2 -74.2 118.4 18.6 26.3 4.7 3 3 A I E -a 33 0A 19 29,-2.7 31,-2.3 -2,-0.6 2,-0.5 -0.677 13.9-142.9 -81.5 120.8 21.0 26.5 7.6 4 4 A L E -ab 34 71A 6 66,-1.7 68,-2.8 -2,-0.6 2,-0.5 -0.713 10.7-160.5 -86.7 129.0 24.4 27.6 6.5 5 5 A V E +ab 35 72A 0 29,-2.7 31,-2.7 -2,-0.5 2,-0.3 -0.939 25.9 153.1-109.4 120.4 27.4 26.0 8.2 6 6 A F E - b 0 73A 0 66,-2.2 68,-1.8 -2,-0.5 31,-0.2 -0.997 34.1-139.0-152.6 154.8 30.7 27.9 8.0 7 7 A G - 0 0 4 29,-0.5 68,-0.2 -2,-0.3 31,-0.2 -0.211 50.0 -56.4 -94.6-169.0 34.0 28.6 9.6 8 8 A H - 0 0 10 66,-0.3 30,-0.4 67,-0.2 -1,-0.2 -0.061 60.4 -81.0 -71.5 167.0 35.9 31.9 9.9 9 9 A Q S S+ 0 0 59 72,-2.4 -1,-0.1 1,-0.2 30,-0.1 -0.284 120.1 29.7 -59.7 152.9 37.0 34.5 7.4 10 10 A N S S- 0 0 36 28,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.967 101.8-141.6 53.1 53.4 40.3 33.5 5.7 11 11 A P - 0 0 5 0, 0.0 31,-0.4 0, 0.0 2,-0.2 -0.123 19.2-163.2 -47.3 132.6 39.2 29.9 6.2 12 12 A D > - 0 0 16 29,-0.1 4,-2.3 -3,-0.1 5,-0.3 -0.458 40.6 -83.9-107.7-174.2 42.0 27.5 7.1 13 13 A S H > S+ 0 0 4 1,-0.2 4,-3.2 2,-0.2 132,-0.3 0.901 128.4 48.0 -59.9 -43.2 41.9 23.7 6.9 14 14 A D H > S+ 0 0 0 131,-0.4 4,-2.9 2,-0.2 5,-0.3 0.917 110.9 52.0 -65.0 -42.1 40.2 23.2 10.3 15 15 A A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.947 117.2 37.7 -58.5 -51.4 37.6 25.8 9.5 16 16 A I H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.946 119.2 47.9 -67.0 -49.7 36.6 24.2 6.2 17 17 A G H X S+ 0 0 2 -4,-3.2 4,-3.2 -5,-0.3 5,-0.2 0.930 113.5 46.2 -58.3 -49.1 37.0 20.6 7.4 18 18 A S H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.2 0.879 113.8 48.9 -64.4 -37.6 34.9 21.1 10.5 19 19 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.916 115.2 43.8 -70.2 -40.1 32.2 23.0 8.7 20 20 A X H X S+ 0 0 28 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.957 116.4 47.3 -66.7 -48.7 32.0 20.4 6.0 21 21 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 -5,-0.3 -2,-0.2 0.916 115.3 45.6 -58.7 -44.9 32.1 17.5 8.5 22 22 A Y H X S+ 0 0 7 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.882 109.6 53.5 -68.7 -38.1 29.5 19.1 10.7 23 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 10,-0.3 0.901 109.3 49.8 -62.9 -41.4 27.1 20.0 7.8 24 24 A Y H X S+ 0 0 56 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.940 112.1 48.1 -61.5 -47.6 27.2 16.4 6.7 25 25 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.914 108.4 53.5 -60.3 -43.4 26.4 15.3 10.3 26 26 A K H <>S+ 0 0 18 -4,-2.8 5,-2.6 1,-0.2 -1,-0.2 0.906 108.8 50.8 -59.1 -39.9 23.6 17.8 10.6 27 27 A R H ><5S+ 0 0 117 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.863 105.7 54.5 -65.4 -36.9 22.1 16.3 7.5 28 28 A Q H 3<5S+ 0 0 104 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.834 105.8 54.7 -65.3 -31.0 22.4 12.8 8.8 29 29 A L T 3<5S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.306 129.3 -98.0 -85.3 9.4 20.4 14.0 11.8 30 30 A G T < 5S+ 0 0 69 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.553 78.8 136.0 90.3 8.3 17.7 15.3 9.5 31 31 A V < - 0 0 43 -5,-2.6 2,-1.8 -6,-0.2 -1,-0.3 -0.748 58.3-128.4 -97.2 137.8 18.6 19.0 9.3 32 32 A D + 0 0 80 -2,-0.4 -29,-2.7 -31,-0.2 2,-0.3 -0.611 55.0 149.3 -80.5 84.3 18.6 20.9 6.1 33 33 A A E -a 3 0A 2 -2,-1.8 2,-0.3 -10,-0.3 -29,-0.2 -0.882 29.2-168.1-121.2 154.4 22.2 22.3 6.4 34 34 A Q E -a 4 0A 74 -31,-2.3 -29,-2.7 -2,-0.3 2,-0.3 -0.987 20.8-129.2-143.0 129.3 24.8 23.2 3.8 35 35 A A E +a 5 0A 13 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.588 34.3 170.0 -78.4 136.9 28.5 24.0 4.4 36 36 A V - 0 0 2 -31,-2.7 -29,-0.5 -2,-0.3 2,-0.3 -0.927 22.9-131.1-139.3 163.8 29.7 27.2 2.8 37 37 A A B -j 59 0B 2 21,-2.6 23,-2.8 -2,-0.3 -28,-0.1 -0.906 10.8-142.4-122.2 151.9 32.9 29.2 3.1 38 38 A L S S+ 0 0 1 -30,-0.4 2,-0.3 -2,-0.3 -28,-0.2 0.363 88.6 1.5 -88.1 3.8 33.6 32.9 3.7 39 39 A G S S- 0 0 10 -30,-0.1 21,-0.1 19,-0.1 3,-0.1 -0.972 93.3 -65.4-172.0 176.0 36.5 32.7 1.2 40 40 A N - 0 0 130 -2,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.472 61.4 -94.0 -76.9 150.8 38.5 30.5 -1.2 41 41 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -29,-0.1 -0.313 39.8-126.3 -60.9 143.8 40.4 27.5 0.2 42 42 A N > - 0 0 29 -31,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.262 36.5 -89.7 -80.6 179.7 44.1 28.3 0.9 43 43 A E H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 145,-0.1 0.872 126.3 52.4 -61.3 -38.2 46.8 26.1 -0.7 44 44 A E H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.949 113.4 43.5 -62.4 -48.8 46.9 23.6 2.2 45 45 A T H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.836 108.8 58.0 -67.0 -32.3 43.1 23.1 2.1 46 46 A A H X S+ 0 0 35 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.914 104.7 52.6 -62.6 -41.3 43.2 22.9 -1.7 47 47 A F H X S+ 0 0 50 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.921 111.4 45.9 -59.1 -45.9 45.6 20.0 -1.3 48 48 A V H X S+ 0 0 4 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.958 111.9 49.9 -62.2 -52.3 43.2 18.3 1.1 49 49 A L H <>S+ 0 0 10 -4,-3.1 5,-2.5 1,-0.2 4,-0.2 0.925 114.9 44.6 -53.1 -48.8 40.1 18.9 -1.1 50 50 A D H ><5S+ 0 0 130 -4,-2.7 3,-1.6 3,-0.2 -1,-0.2 0.930 108.9 58.0 -61.2 -47.7 41.9 17.5 -4.1 51 51 A Y H 3<5S+ 0 0 113 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.894 114.7 34.6 -50.7 -50.3 43.4 14.6 -2.2 52 52 A F T 3<5S- 0 0 27 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.299 113.6-118.4 -92.7 12.0 40.0 13.2 -1.1 53 53 A G T < 5 + 0 0 68 -3,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.795 65.5 134.9 59.0 38.3 38.4 14.3 -4.4 54 54 A I < - 0 0 35 -5,-2.5 2,-0.2 -6,-0.2 -1,-0.2 -0.873 52.2-115.3-119.8 152.0 35.9 16.7 -3.0 55 55 A Q - 0 0 180 -2,-0.3 -5,-0.0 1,-0.1 0, 0.0 -0.533 32.7-105.6 -85.3 148.2 34.8 20.2 -4.0 56 56 A A - 0 0 42 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.349 45.2 -94.1 -68.6 148.3 35.3 23.3 -2.0 57 57 A P - 0 0 12 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 -0.171 51.6 -89.2 -59.1 155.2 32.2 24.8 -0.3 58 58 A P - 0 0 67 0, 0.0 -21,-2.6 0, 0.0 2,-0.5 -0.454 45.1-120.0 -66.6 143.1 30.4 27.5 -2.2 59 59 A V B +j 37 0B 62 -23,-0.2 2,-0.3 -3,-0.1 -21,-0.2 -0.756 38.7 176.1 -87.9 125.5 31.9 30.9 -1.3 60 60 A V - 0 0 6 -23,-2.8 3,-0.1 -2,-0.5 -24,-0.0 -0.813 23.0-173.8-123.0 165.9 29.3 33.2 0.2 61 61 A K S S+ 0 0 125 1,-0.3 23,-0.6 -2,-0.3 2,-0.4 0.479 72.9 38.0-133.8 -17.6 29.7 36.7 1.7 62 62 A S > - 0 0 32 1,-0.2 4,-2.1 22,-0.1 -1,-0.3 -0.927 55.2-156.8-145.2 118.8 26.3 37.6 3.1 63 63 A A T 4>S+ 0 0 0 -2,-0.4 5,-2.2 1,-0.2 4,-0.3 0.950 102.0 48.5 -55.7 -51.1 23.9 35.3 4.9 64 64 A Q T >45S+ 0 0 106 1,-0.2 3,-1.8 3,-0.2 -1,-0.2 0.899 107.6 55.4 -56.9 -41.9 21.0 37.5 4.1 65 65 A A T 345S+ 0 0 75 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.903 108.3 48.2 -58.7 -40.0 22.1 37.6 0.4 66 66 A E T 3<5S- 0 0 111 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.459 119.6-116.4 -79.3 0.1 22.0 33.8 0.4 67 67 A G T < 5 + 0 0 56 -3,-1.8 2,-0.5 -4,-0.3 -65,-0.3 0.859 66.0 143.2 69.2 36.8 18.6 34.1 2.0 68 68 A A < + 0 0 4 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.928 31.0 178.4-114.1 132.9 19.5 32.4 5.2 69 69 A K S S+ 0 0 169 -2,-0.5 21,-3.1 1,-0.2 2,-0.4 0.650 72.4 53.6-100.0 -21.0 18.1 33.4 8.6 70 70 A Q E + c 0 90A 57 -68,-0.3 -66,-1.7 19,-0.2 2,-0.3 -0.962 62.5 178.9-124.1 130.7 20.0 30.7 10.6 71 71 A V E -bc 4 91A 0 19,-2.7 21,-2.3 -2,-0.4 22,-1.0 -0.893 19.5-147.9-127.3 156.7 23.7 29.9 10.7 72 72 A I E -bc 5 93A 0 -68,-2.8 -66,-2.2 -2,-0.3 2,-0.4 -0.994 19.2-150.4-123.3 122.4 25.9 27.4 12.5 73 73 A L E -bc 6 94A 0 20,-2.5 22,-2.3 -2,-0.5 2,-0.4 -0.787 13.4-175.2 -97.5 135.5 29.5 28.6 13.2 74 74 A T E + c 0 95A 0 -68,-1.8 -66,-0.3 -2,-0.4 22,-0.2 -0.968 66.9 9.5-127.1 145.6 32.4 26.2 13.5 75 75 A D S S+ 0 0 1 20,-2.2 2,-0.3 -2,-0.4 -67,-0.2 0.685 125.2 42.0 63.7 21.4 36.0 27.0 14.5 76 76 A H + 0 0 0 19,-0.3 19,-0.2 22,-0.1 24,-0.1 -0.919 42.3 177.2 178.8 159.5 35.1 30.5 15.6 77 77 A N + 0 0 3 -2,-0.3 27,-0.2 22,-0.2 5,-0.1 0.427 52.8 107.5-144.2 -29.8 32.5 32.5 17.5 78 78 A E > - 0 0 23 21,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.346 67.9-133.9 -60.5 129.5 33.8 36.1 17.6 79 79 A F G > S+ 0 0 26 23,-2.2 3,-1.3 1,-0.3 7,-0.2 0.816 100.4 59.8 -56.9 -39.7 31.7 38.2 15.2 80 80 A Q G 3 S+ 0 0 91 1,-0.3 -1,-0.3 22,-0.1 -2,-0.1 0.728 107.7 50.8 -64.0 -18.7 34.5 40.1 13.4 81 81 A Q G < S+ 0 0 23 -3,-1.3 -72,-2.4 -73,-0.1 -1,-0.3 0.587 104.7 70.9 -92.7 -11.2 35.7 36.6 12.4 82 82 A S S < S- 0 0 3 -3,-1.3 -73,-0.1 -4,-0.5 -74,-0.1 -0.050 100.3 -48.5 -93.1-165.8 32.3 35.5 11.0 83 83 A I > - 0 0 1 1,-0.1 3,-2.0 2,-0.1 -1,-0.2 -0.325 59.6-108.2 -64.8 147.9 30.2 36.4 8.0 84 84 A A T 3 S+ 0 0 75 -23,-0.6 3,-0.4 1,-0.3 -22,-0.1 0.844 117.4 38.8 -44.5 -48.5 29.7 40.2 7.4 85 85 A D T >> S+ 0 0 15 -24,-0.3 3,-1.8 1,-0.2 4,-0.7 -0.086 73.2 129.5 -98.6 35.3 26.0 40.2 8.4 86 86 A I G X4 S+ 0 0 2 -3,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.840 70.6 60.2 -57.2 -31.2 26.4 37.8 11.3 87 87 A R G 34 S+ 0 0 154 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.709 101.2 55.0 -70.7 -17.9 24.6 40.3 13.5 88 88 A E G <4 S+ 0 0 123 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.607 104.2 55.3 -91.8 -15.6 21.6 40.1 11.2 89 89 A V S << S- 0 0 21 -3,-0.7 2,-0.5 -4,-0.7 -19,-0.2 -0.537 87.1 -99.5-110.7-178.9 20.9 36.4 11.4 90 90 A E E -c 70 0A 68 -21,-3.1 -19,-2.7 -2,-0.2 2,-0.9 -0.889 21.7-143.4-105.7 128.5 20.4 33.9 14.1 91 91 A V E +c 71 0A 7 -2,-0.5 -19,-0.2 -21,-0.2 16,-0.1 -0.810 23.7 173.5 -90.3 107.6 23.3 31.7 15.3 92 92 A V E + 0 0 24 -21,-2.3 18,-2.7 -2,-0.9 2,-0.3 0.785 62.6 13.1 -85.9 -29.6 21.6 28.3 16.0 93 93 A E E -cd 72 110A 24 -22,-1.0 -20,-2.5 16,-0.2 2,-0.3 -0.990 54.7-168.4-148.4 155.5 24.7 26.3 16.7 94 94 A V E -cd 73 111A 0 16,-1.2 18,-2.8 -2,-0.3 2,-0.5 -0.980 4.4-179.9-145.7 129.3 28.4 26.7 17.4 95 95 A V E +cd 74 112A 0 -22,-2.3 -20,-2.2 -2,-0.3 -19,-0.3 -0.966 34.1 135.1-129.0 111.6 31.2 24.1 17.5 96 96 A D E - d 0 113A 0 16,-1.3 18,-1.4 -2,-0.5 22,-0.1 -0.962 51.6-146.3-154.2 166.9 34.5 25.7 18.3 97 97 A H + 0 0 7 -2,-0.3 2,-0.2 16,-0.2 16,-0.1 0.015 68.2 97.2-128.0 27.3 37.7 25.4 20.4 98 98 A H S S- 0 0 25 1,-0.1 321,-0.5 320,-0.1 319,-0.1 -0.684 82.1 -87.9-111.9 168.0 38.5 29.1 21.0 99 99 A R - 0 0 72 -2,-0.2 2,-0.5 319,-0.2 -21,-0.2 -0.243 50.0-111.9 -64.9 161.9 37.8 31.4 23.9 100 100 A V + 0 0 2 317,-0.4 315,-2.8 -23,-0.1 2,-0.3 -0.878 53.8 132.9-104.7 134.4 34.4 33.2 23.7 101 101 A A + 0 0 0 -2,-0.5 -22,-0.2 313,-0.2 313,-0.1 -0.955 58.6 24.0-169.7 157.4 34.1 36.9 23.0 102 102 A N S S+ 0 0 100 -2,-0.3 -23,-2.2 1,-0.2 2,-0.4 0.862 92.2 124.7 45.5 41.0 32.2 39.4 20.9 103 103 A F + 0 0 11 310,-0.3 310,-0.3 -25,-0.2 2,-0.3 -0.993 29.4 157.7-131.5 136.7 29.5 36.7 20.6 104 104 A E - 0 0 113 -2,-0.4 2,-0.3 -27,-0.2 307,-0.2 -0.973 17.2-164.9-159.8 142.2 25.9 37.1 21.5 105 105 A T - 0 0 9 305,-2.6 -15,-0.1 -2,-0.3 4,-0.1 -0.929 20.5-145.2-128.5 155.5 22.6 35.5 20.7 106 106 A A S S+ 0 0 78 -2,-0.3 303,-0.2 303,-0.1 -1,-0.1 0.796 86.6 31.5 -86.5 -28.9 19.0 36.6 21.2 107 107 A N S S- 0 0 76 -16,-0.1 303,-0.4 1,-0.1 301,-0.1 -0.720 96.2 -81.0-124.5 171.5 17.8 33.0 21.8 108 108 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 301,-0.2 -0.277 54.6 170.4 -65.6 161.5 19.0 29.7 23.3 109 109 A L - 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0 0 21 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.781 45.0-124.9 -93.1 123.3 26.9 8.3 12.7 133 133 A A - 0 0 83 -2,-0.5 -1,-0.0 -3,-0.1 -5,-0.0 -0.361 22.9-126.6 -64.6 143.3 29.4 6.5 10.5 134 134 A I - 0 0 21 -2,-0.0 -1,-0.1 4,-0.0 2,-0.1 -0.835 18.1-135.2 -98.3 119.0 32.2 8.7 9.1 135 135 A P > - 0 0 25 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.366 24.9-111.1 -68.7 151.5 32.7 8.7 5.3 136 136 A K H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -2,-0.0 0.886 115.8 44.7 -49.2 -54.0 36.2 8.4 4.0 137 137 A E H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.834 112.5 52.7 -64.8 -33.2 36.5 11.9 2.5 138 138 A I H > S+ 0 0 10 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.881 107.7 51.1 -69.5 -38.5 34.8 13.4 5.6 139 139 A A H X S+ 0 0 0 -4,-2.5 4,-3.7 1,-0.2 5,-0.3 0.940 108.7 55.1 -61.3 -43.7 37.4 11.7 7.8 140 140 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.905 108.4 43.9 -56.2 -49.1 40.0 13.2 5.5 141 141 A V H X S+ 0 0 3 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.842 116.8 48.4 -69.3 -30.0 38.9 16.8 5.9 142 142 A X H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.958 112.4 46.9 -72.5 -48.6 38.5 16.4 9.6 143 143 A L H X S+ 0 0 0 -4,-3.7 4,-2.9 1,-0.2 5,-0.2 0.915 112.5 51.8 -55.6 -44.4 41.9 14.7 10.0 144 144 A S H X S+ 0 0 2 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.872 106.8 53.0 -60.6 -40.4 43.4 17.5 7.8 145 145 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 -132,-0.3 -131,-0.4 0.928 112.9 43.5 -62.4 -44.2 41.9 20.1 10.0 146 146 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 7,-0.3 0.931 114.4 49.1 -66.3 -46.2 43.4 18.6 13.2 147 147 A I H X>S+ 0 0 1 -4,-2.9 5,-2.2 -5,-0.2 4,-0.9 0.923 112.7 50.4 -58.3 -45.4 46.8 18.1 11.5 148 148 A S H ><5S+ 0 0 19 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.937 111.7 44.5 -58.7 -54.2 46.7 21.6 10.3 149 149 A D H 3<5S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.777 122.9 36.8 -64.4 -28.7 45.9 23.3 13.6 150 150 A T H 3X>S- 0 0 0 -4,-1.9 5,-3.2 -5,-0.2 4,-0.9 0.343 105.3-117.8-108.5 6.8 48.4 21.2 15.6 151 151 A L T X<5S- 0 0 10 -4,-0.9 3,-1.3 -3,-0.7 -3,-0.2 0.971 85.6 -40.9 54.1 58.4 51.2 20.9 13.1 152 152 A L T 34 - 0 0 76 -2,-0.2 3,-0.8 1,-0.1 -43,-0.1 -0.473 24.0-109.3 -85.1 159.7 45.5 18.1 23.5 160 160 A A T 3 S+ 0 0 94 1,-0.2 4,-0.4 2,-0.1 -1,-0.1 0.874 119.1 48.7 -55.6 -37.8 46.1 14.8 25.1 161 161 A S T 3> S+ 0 0 42 1,-0.2 4,-1.5 2,-0.1 3,-0.3 0.659 89.9 81.4 -79.2 -18.4 43.1 13.3 23.3 162 162 A D H <> S+ 0 0 0 -3,-0.8 4,-3.5 1,-0.2 5,-0.3 0.874 82.5 60.9 -59.2 -40.2 44.0 14.6 19.8 163 163 A P H > S+ 0 0 49 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.933 106.1 46.7 -54.5 -45.6 46.5 11.8 18.9 164 164 A A H > S+ 0 0 68 -4,-0.4 4,-2.4 -3,-0.3 5,-0.2 0.896 113.6 49.5 -62.4 -40.3 43.9 9.1 19.3 165 165 A V H X S+ 0 0 6 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.970 111.4 48.7 -60.2 -54.2 41.5 11.2 17.2 166 166 A A H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.872 110.6 52.2 -53.5 -41.4 44.1 11.7 14.6 167 167 A E H X S+ 0 0 114 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.939 111.4 44.1 -64.1 -48.3 44.9 8.0 14.6 168 168 A D H X S+ 0 0 34 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.909 113.4 50.4 -65.0 -42.1 41.3 6.9 14.1 169 169 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.897 107.8 54.4 -63.1 -39.6 40.6 9.5 11.4 170 170 A A H X>S+ 0 0 3 -4,-2.0 5,-2.2 -5,-0.3 4,-1.1 0.936 109.4 48.2 -57.7 -47.2 43.7 8.5 9.5 171 171 A K H ><5S+ 0 0 149 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.954 114.3 44.7 -58.8 -52.0 42.5 4.9 9.5 172 172 A I H 3<5S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 113.7 50.8 -62.2 -35.5 39.0 5.9 8.3 173 173 A A H 3<5S- 0 0 1 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.619 110.3-123.6 -78.1 -13.7 40.6 8.2 5.7 174 174 A G T <<5 + 0 0 53 -4,-1.1 2,-0.3 -3,-0.9 -3,-0.2 0.806 68.1 119.4 76.9 30.5 42.8 5.5 4.4 175 175 A V < - 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