==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUN-09 3HZO . COMPND 2 MOLECULE: PROTEIN RV0554, PUTATIVE BROMOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.M.JOHNSTON,E.N.BAKER . 536 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 5 0 3 1 0 0 2 0 5 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 0 4 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 . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 -13 A E 0 0 198 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.4 5.8 -58.3 -18.4 2 -12 A N - 0 0 126 2,-0.0 2,-0.3 17,-0.0 19,-0.1 -0.716 360.0-176.8-146.3 90.0 2.1 -58.4 -17.5 3 -11 A L E -A 20 0A 57 17,-0.7 17,-1.8 -2,-0.2 2,-0.3 -0.705 1.0-177.2 -95.6 149.3 1.4 -57.8 -13.9 4 -10 A Y E -A 19 0A 127 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.951 7.3-166.8-137.6 149.1 -2.1 -57.9 -12.2 5 -9 A F E -A 18 0A 6 13,-1.7 13,-2.2 -2,-0.3 2,-0.6 -0.961 32.4-101.9-135.2 162.0 -3.4 -57.2 -8.8 6 -8 A Q E -A 17 0A 122 -2,-0.3 11,-0.2 11,-0.2 83,-0.1 -0.684 35.4-147.0 -89.8 123.5 -6.7 -58.0 -7.3 7 -7 A G E - 0 0 3 9,-2.6 75,-0.1 -2,-0.6 72,-0.1 -0.201 31.8 -80.7 -75.3 174.1 -9.1 -55.0 -7.1 8 -6 A A E - 0 0 21 70,-0.4 8,-0.5 1,-0.1 2,-0.3 -0.294 53.5 -93.5 -64.3 156.2 -11.7 -54.5 -4.3 9 -5 A M E -A 15 0A 116 6,-0.2 6,-0.2 -3,-0.1 -1,-0.1 -0.613 47.3-132.1 -67.8 132.9 -15.0 -56.3 -4.5 10 -4 A D > - 0 0 11 4,-3.3 3,-2.1 -2,-0.3 64,-0.1 -0.175 25.1 -97.3 -84.8 174.6 -17.5 -54.1 -6.2 11 -3 A P T 3 S+ 0 0 62 0, 0.0 63,-0.1 0, 0.0 -1,-0.1 0.643 125.6 58.1 -74.8 -2.4 -21.1 -53.3 -5.0 12 -2 A E T 3 S- 0 0 76 2,-0.1 -2,-0.1 61,-0.1 62,-0.1 0.112 122.1-108.9-100.7 18.6 -22.4 -56.0 -7.4 13 -1 A F S < S+ 0 0 169 -3,-2.1 2,-0.3 1,-0.2 -4,-0.1 0.692 73.6 135.4 65.4 26.9 -20.2 -58.5 -5.5 14 0 A R - 0 0 122 -6,-0.1 -4,-3.3 2,-0.0 2,-0.5 -0.792 42.3-152.6-103.5 148.3 -17.6 -59.0 -8.3 15 1 A V E -A 9 0A 66 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.978 19.9-179.4-119.7 115.2 -13.9 -59.1 -7.9 16 2 A I E - 0 0 48 -8,-0.5 -9,-2.6 -2,-0.5 2,-0.3 -0.690 25.2-119.4-106.1 166.5 -11.8 -58.1 -11.0 17 3 A N E -A 6 0A 92 -2,-0.2 2,-0.4 -11,-0.2 -11,-0.2 -0.816 23.0-157.1 -97.7 143.8 -8.1 -57.9 -11.7 18 4 A L E -A 5 0A 2 -13,-2.2 -13,-1.7 -2,-0.3 2,-0.2 -0.952 18.2-119.0-117.8 140.5 -6.4 -54.6 -12.7 19 5 A A E +A 4 0A 27 -2,-0.4 42,-2.1 42,-0.2 2,-0.3 -0.516 33.4 177.8 -77.5 145.4 -3.2 -54.2 -14.7 20 6 A Y E -AB 3 60A 31 -17,-1.8 -17,-0.7 40,-0.2 2,-0.3 -0.949 19.7-145.3-139.3 168.2 -0.2 -52.4 -13.3 21 7 A D E - B 0 59A 78 38,-2.7 38,-1.4 -2,-0.3 2,-0.4 -0.945 11.1-165.0-127.6 148.2 3.5 -51.6 -14.2 22 8 A D E + B 0 58A 45 -2,-0.3 2,-0.4 36,-0.2 36,-0.2 -0.958 12.3 171.7-142.2 117.0 6.4 -51.4 -11.8 23 9 A N E + B 0 57A 56 34,-1.8 34,-2.0 -2,-0.4 3,-0.1 -0.969 40.2 13.2-130.5 146.1 9.7 -49.8 -12.7 24 10 A G - 0 0 39 -2,-0.4 32,-0.2 32,-0.2 27,-0.1 0.019 62.1-113.8 82.6 176.6 12.9 -49.0 -10.7 25 11 A T S S+ 0 0 151 30,-0.1 31,-0.2 26,-0.1 -1,-0.1 0.359 78.5 95.7-133.4 -4.2 14.1 -50.0 -7.3 26 12 A G S S- 0 0 26 1,-0.2 29,-0.3 29,-0.2 28,-0.1 0.329 89.3 -32.6 -80.3-156.3 14.0 -46.7 -5.5 27 13 A D E S-c 55 0A 83 27,-1.5 29,-2.0 1,-0.1 -1,-0.2 -0.530 77.2-113.3 -68.5 127.7 11.5 -44.9 -3.2 28 14 A P E -c 56 0A 31 0, 0.0 68,-1.3 0, 0.0 2,-0.4 -0.436 33.2-173.9 -72.9 128.8 8.1 -46.0 -4.4 29 15 A V E -cd 57 96A 0 27,-3.3 29,-3.1 -2,-0.2 2,-0.6 -0.986 12.0-152.4-117.2 129.8 5.7 -43.6 -6.0 30 16 A V E -cd 58 97A 0 66,-3.0 68,-2.9 -2,-0.4 2,-0.4 -0.902 13.2-156.6 -98.0 121.2 2.1 -44.6 -6.9 31 17 A F E - d 0 98A 0 27,-2.6 2,-0.5 -2,-0.6 29,-0.5 -0.855 4.8-164.6 -95.8 130.9 0.7 -42.6 -9.9 32 18 A I E - d 0 99A 0 66,-2.9 68,-1.9 -2,-0.4 71,-0.1 -0.930 11.6-148.7-119.6 109.1 -3.1 -42.3 -10.3 33 19 A A - 0 0 0 -2,-0.5 3,-0.1 27,-0.4 6,-0.1 -0.233 18.1-109.2 -71.9 164.9 -4.3 -41.1 -13.6 34 20 A G > - 0 0 12 1,-0.2 3,-2.0 68,-0.2 67,-0.1 -0.072 56.7 -50.1 -78.7-176.6 -7.4 -39.1 -14.2 35 21 A R T 3 S+ 0 0 88 1,-0.3 -1,-0.2 65,-0.1 3,-0.1 -0.353 128.9 11.3 -58.6 132.0 -10.7 -40.0 -15.8 36 22 A G T 3 S+ 0 0 17 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.128 101.6 120.5 86.1 -16.3 -10.2 -41.7 -19.2 37 23 A G < - 0 0 13 -3,-2.0 25,-0.4 28,-0.1 -1,-0.2 -0.651 50.4-149.1 -92.3 133.4 -6.4 -42.1 -18.6 38 24 A A > - 0 0 8 -2,-0.3 3,-2.1 23,-0.1 4,-0.2 -0.536 37.5-101.7 -86.2 162.3 -4.5 -45.4 -18.6 39 25 A G G > S+ 0 0 1 1,-0.3 3,-1.6 -2,-0.2 4,-0.3 0.769 118.1 72.9 -48.5 -27.9 -1.4 -45.9 -16.4 40 26 A R G > S+ 0 0 149 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.637 75.6 79.3 -70.8 -13.5 0.6 -45.4 -19.6 41 27 A T G < S+ 0 0 21 -3,-2.1 4,-0.4 1,-0.2 -1,-0.3 0.691 90.3 53.7 -68.4 -18.0 -0.2 -41.7 -19.6 42 28 A W G <>>S+ 0 0 0 -3,-1.6 5,-2.3 -4,-0.2 4,-1.5 0.605 91.2 79.2 -86.8 -18.6 2.5 -41.1 -17.0 43 29 A H T <45S+ 0 0 52 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.1 0.877 85.7 54.0 -58.4 -41.3 5.2 -42.8 -19.1 44 30 A P T 45S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.930 129.5 3.3 -66.4 -42.6 6.0 -40.0 -21.5 45 31 A H T 45S+ 0 0 68 -4,-0.4 4,-0.3 3,-0.1 -2,-0.2 0.696 131.5 39.8-118.6 -22.6 6.9 -37.2 -19.1 46 32 A Q T X5S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.1 3,-0.5 0.919 106.1 52.2 -92.3 -61.2 6.7 -38.4 -15.5 47 33 A V H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.923 112.3 47.5 -57.6 -42.2 11.6 -41.1 -16.9 49 35 A A H > S+ 0 0 30 -3,-0.5 4,-0.6 -4,-0.3 -2,-0.2 0.899 113.8 47.0 -65.2 -38.2 12.2 -38.1 -14.7 50 36 A F H ><>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 3,-0.6 0.894 111.6 50.2 -74.2 -37.9 11.3 -40.0 -11.5 51 37 A L H ><5S+ 0 0 68 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.919 108.1 53.0 -63.1 -41.9 13.4 -43.0 -12.5 52 38 A A H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.736 108.1 52.9 -67.6 -14.9 16.4 -40.7 -13.1 53 39 A A T <<5S- 0 0 52 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.360 124.4-101.8 -98.5 3.2 15.8 -39.3 -9.6 54 40 A G T < 5S+ 0 0 45 -3,-1.7 -27,-1.5 1,-0.3 2,-0.4 0.708 76.5 136.3 86.6 22.1 15.9 -42.8 -7.9 55 41 A Y E < - c 0 27A 20 -5,-2.6 2,-0.4 -29,-0.3 -1,-0.3 -0.805 51.6-135.0 -97.3 146.1 12.2 -43.3 -7.5 56 42 A R E - c 0 28A 52 -29,-2.0 -27,-3.3 -2,-0.4 2,-0.5 -0.870 26.4-148.6 -92.9 135.7 10.4 -46.5 -8.2 57 43 A C E -Bc 23 29A 0 -34,-2.0 -34,-1.8 -2,-0.4 2,-0.6 -0.934 14.2-169.2-119.1 122.3 7.2 -45.8 -10.2 58 44 A I E +Bc 22 30A 0 -29,-3.1 -27,-2.6 -2,-0.5 2,-0.3 -0.912 13.3 173.1-108.2 123.3 4.0 -47.8 -10.1 59 45 A T E +B 21 0A 2 -38,-1.4 -38,-2.7 -2,-0.6 2,-0.3 -0.925 5.3 174.0-122.1 160.0 1.4 -47.0 -12.6 60 46 A F E -B 20 0A 4 -29,-0.5 2,-0.9 -2,-0.3 -27,-0.4 -0.993 37.3 -98.7-158.8 164.7 -1.9 -48.8 -13.3 61 47 A D - 0 0 38 -42,-2.1 -42,-0.2 -2,-0.3 4,-0.2 -0.787 41.2-137.4 -88.9 103.9 -5.1 -49.0 -15.2 62 48 A N > - 0 0 2 -2,-0.9 3,-1.3 -25,-0.4 6,-0.3 -0.096 39.3 -80.6 -48.1 155.2 -8.0 -47.6 -13.0 63 49 A R T 3 S+ 0 0 1 1,-0.3 -1,-0.1 -45,-0.1 3,-0.1 -0.361 121.8 36.7 -60.9 139.2 -11.2 -49.6 -13.1 64 50 A G T 3 S+ 0 0 1 4,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.501 101.2 100.1 89.2 7.0 -13.2 -48.7 -16.1 65 51 A I S X S- 0 0 14 -3,-1.3 3,-2.4 -4,-0.2 -1,-0.3 -0.937 86.4 -28.3-126.7 148.7 -10.1 -48.4 -18.3 66 52 A G G > S+ 0 0 39 -2,-0.3 3,-1.7 1,-0.3 4,-0.1 -0.230 135.6 15.6 54.5-114.8 -8.4 -50.7 -20.8 67 53 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.713 136.3 44.0 -68.0 -14.8 -9.1 -54.3 -19.9 68 54 A T G X S+ 0 0 18 -3,-2.4 3,-2.2 -6,-0.3 -4,-0.5 0.003 72.0 125.3-115.0 31.5 -12.0 -53.2 -17.5 69 55 A E T < S+ 0 0 56 -3,-1.7 124,-2.5 1,-0.3 125,-0.3 0.715 72.8 54.6 -69.0 -15.6 -13.5 -50.7 -19.8 70 56 A N T 3 S+ 0 0 112 -3,-0.3 -1,-0.3 122,-0.2 -2,-0.1 0.443 80.5 120.4 -93.2 -0.8 -16.9 -52.5 -19.5 71 57 A A < + 0 0 21 -3,-2.2 2,-0.3 -6,-0.1 125,-0.3 -0.329 35.6 162.1 -58.7 138.7 -16.9 -52.3 -15.7 72 58 A E + 0 0 116 124,-0.1 3,-0.1 123,-0.1 121,-0.1 -0.886 41.3 57.6-144.4 178.0 -19.8 -50.4 -14.4 73 59 A G S S+ 0 0 31 -2,-0.3 2,-0.2 1,-0.2 -61,-0.1 0.707 75.9 125.5 73.2 19.7 -21.6 -50.0 -11.0 74 60 A F - 0 0 9 -64,-0.1 2,-0.3 -63,-0.1 -1,-0.2 -0.553 39.7-161.0-104.9 172.7 -18.5 -48.8 -9.1 75 61 A T > - 0 0 55 -2,-0.2 4,-1.6 -3,-0.1 3,-0.5 -0.850 42.3 -83.3-141.3 175.7 -18.1 -45.7 -7.0 76 62 A T H > S+ 0 0 10 123,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.839 126.4 57.3 -51.6 -42.2 -15.3 -43.6 -5.6 77 63 A Q H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 102.4 55.4 -61.5 -37.8 -15.0 -46.0 -2.6 78 64 A T H > S+ 0 0 8 -3,-0.5 4,-2.2 2,-0.2 -70,-0.4 0.918 110.8 44.0 -59.7 -41.1 -14.4 -48.9 -5.0 79 65 A M H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.889 112.2 51.3 -74.5 -38.6 -11.4 -47.1 -6.6 80 66 A V H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.940 111.0 49.2 -57.3 -46.4 -10.0 -46.0 -3.3 81 67 A A H X S+ 0 0 42 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 109.4 53.0 -63.1 -37.7 -10.2 -49.6 -2.1 82 68 A D H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.874 109.0 49.3 -59.9 -41.4 -8.5 -50.7 -5.4 83 69 A T H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 110.4 49.5 -68.6 -45.8 -5.6 -48.2 -4.7 84 70 A A H X S+ 0 0 13 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.887 108.0 54.9 -55.0 -40.4 -5.2 -49.5 -1.2 85 71 A A H X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.926 106.7 50.1 -66.1 -38.7 -5.2 -53.0 -2.5 86 72 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.931 112.5 48.0 -60.2 -47.0 -2.3 -52.1 -4.9 87 73 A I H X>S+ 0 0 0 -4,-2.2 5,-1.6 1,-0.2 4,-0.6 0.951 113.4 46.1 -58.8 -53.1 -0.4 -50.5 -2.0 88 74 A E H ><5S+ 0 0 118 -4,-3.0 3,-0.5 1,-0.2 -1,-0.2 0.874 110.4 55.3 -60.1 -32.2 -1.0 -53.5 0.3 89 75 A T H 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.881 110.8 41.7 -70.6 -35.6 -0.0 -55.9 -2.5 90 76 A L H 3<5S- 0 0 29 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.511 106.4-131.5 -86.8 -1.7 3.4 -54.4 -3.2 91 77 A D T <<5 + 0 0 141 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.938 64.7 133.2 45.8 57.7 3.8 -54.1 0.5 92 78 A I < + 0 0 17 -5,-1.6 -4,-0.1 -6,-0.1 -1,-0.1 0.225 33.8 173.2-118.2 11.5 4.9 -50.4 0.1 93 79 A A + 0 0 49 -6,-0.3 24,-0.2 1,-0.2 25,-0.1 -0.455 62.5 39.4 -65.2 137.8 2.8 -48.7 2.8 94 80 A P S S- 0 0 77 0, 0.0 24,-0.3 0, 0.0 2,-0.2 0.485 92.2-179.7 -87.4 133.4 3.1 -45.8 3.6 95 81 A A E - 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0 0 0 84,-0.3 4,-3.2 -2,-0.3 5,-0.2 -0.349 31.6-113.5 -77.6 160.5 -3.6 -23.1 -22.3 167 153 A R H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.878 118.2 60.5 -62.6 -32.5 -4.2 -20.0 -24.3 168 154 A K H 4 S+ 0 0 117 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.952 110.8 38.6 -58.5 -47.5 -0.5 -19.9 -25.0 169 155 A T H >4 S+ 0 0 7 1,-0.2 3,-1.6 2,-0.2 7,-0.4 0.933 113.6 56.4 -67.2 -48.7 -0.7 -23.4 -26.7 170 156 A L H 3< S+ 0 0 28 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.806 106.1 50.1 -56.1 -30.5 -4.0 -22.6 -28.4 171 157 A N T 3< S+ 0 0 74 -4,-2.0 2,-0.8 -5,-0.2 -1,-0.3 0.546 94.4 82.4 -82.0 -12.0 -2.5 -19.5 -30.0 172 158 A D <> - 0 0 81 -3,-1.6 4,-2.4 -4,-0.5 5,-0.2 -0.839 64.6-164.2-101.5 105.0 0.5 -21.3 -31.4 173 159 A D H > S+ 0 0 50 -2,-0.8 4,-2.3 1,-0.3 -1,-0.2 0.812 86.3 52.0 -63.9 -34.9 -0.6 -23.1 -34.6 174 160 A V H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.948 111.2 49.4 -65.1 -45.4 2.3 -25.5 -34.9 175 161 A A H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.926 109.0 52.1 -57.0 -47.6 1.7 -26.6 -31.3 176 162 A V H X S+ 0 0 20 -4,-2.4 4,-2.6 -7,-0.4 5,-0.3 0.944 107.4 53.1 -58.6 -47.6 -2.1 -27.1 -32.0 177 163 A G H X S+ 0 0 33 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.933 108.5 51.6 -47.0 -50.4 -1.2 -29.3 -35.1 178 164 A D H X S+ 0 0 96 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.888 111.2 44.9 -56.5 -43.6 1.0 -31.4 -32.8 179 165 A W H X S+ 0 0 37 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.863 109.8 53.1 -76.5 -35.7 -1.6 -32.1 -30.2 180 166 A I H X S+ 0 0 65 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.847 109.8 49.4 -71.9 -22.3 -4.4 -32.8 -32.6 181 167 A A H >X S+ 0 0 60 -4,-1.7 3,-1.0 -5,-0.3 4,-0.6 0.934 109.3 53.1 -72.9 -44.5 -2.2 -35.4 -34.3 182 168 A M H >X S+ 0 0 51 -4,-2.0 3,-1.6 1,-0.2 4,-0.9 0.849 97.2 66.9 -51.6 -39.0 -1.4 -36.8 -30.8 183 169 A F H >< S+ 0 0 19 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.849 95.9 56.1 -55.8 -35.3 -5.2 -37.1 -30.2 184 170 A S H << S+ 0 0 90 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.787 107.5 47.8 -67.4 -24.9 -5.3 -39.7 -32.8 185 171 A M H << S+ 0 0 130 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.520 118.3 40.7 -93.4 -7.0 -2.6 -41.7 -30.8 186 172 A W S << S+ 0 0 49 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.1 -0.462 81.5 179.5-129.1 61.6 -4.5 -41.3 -27.5 187 173 A P - 0 0 97 0, 0.0 2,-0.8 0, 0.0 -3,-0.1 -0.332 25.3-135.3 -65.9 144.0 -8.1 -41.8 -28.7 188 174 A I - 0 0 92 -5,-0.1 2,-0.2 -151,-0.0 -151,-0.1 -0.861 20.4-149.3-104.8 102.3 -10.6 -41.6 -25.8 189 175 A K - 0 0 137 -2,-0.8 2,-0.7 -153,-0.2 5,-0.1 -0.476 12.4-126.3 -78.3 137.6 -13.0 -44.5 -26.2 190 176 A S + 0 0 75 -2,-0.2 -1,-0.1 4,-0.1 3,-0.0 -0.726 49.0 154.8 -85.4 115.1 -16.6 -43.9 -25.0 191 177 A T > - 0 0 8 -2,-0.7 4,-2.0 -127,-0.1 5,-0.2 -0.827 62.0-105.6-142.3 162.4 -17.3 -46.8 -22.6 192 178 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 -122,-0.2 0.892 121.9 57.3 -59.8 -32.7 -19.5 -47.9 -19.7 193 179 A G H > S+ 0 0 0 -124,-2.5 4,-2.3 1,-0.2 5,-0.1 0.911 105.7 47.1 -58.3 -46.4 -16.2 -47.5 -17.7 194 180 A L H > S+ 0 0 17 -125,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.864 110.9 52.2 -67.2 -36.8 -15.8 -43.9 -18.7 195 181 A R H >< S+ 0 0 43 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.914 110.4 47.8 -67.8 -42.0 -19.4 -43.1 -17.9 196 182 A C H >< S+ 0 0 13 -4,-2.4 3,-2.2 -125,-0.3 4,-0.2 0.902 102.8 61.6 -67.3 -37.7 -19.0 -44.6 -14.5 197 183 A Q H >< S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.793 89.6 74.2 -57.2 -26.7 -15.8 -42.7 -13.8 198 184 A L T << S+ 0 0 11 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.722 93.0 52.3 -59.3 -23.9 -17.9 -39.6 -14.2 199 185 A D T < S+ 0 0 64 -3,-2.2 2,-1.7 -4,-0.3 -123,-0.4 0.431 79.7 92.3 -95.5 2.9 -19.4 -40.2 -10.8 200 186 A C S < S+ 0 0 2 -3,-1.7 -1,-0.1 -4,-0.2 -95,-0.1 -0.589 70.4 100.4 -87.2 69.7 -16.2 -40.6 -8.9 201 187 A A S S- 0 0 7 -2,-1.7 -125,-0.1 -96,-0.1 2,-0.1 -0.940 91.0 -72.2-142.1 162.3 -16.3 -36.9 -8.1 202 188 A P - 0 0 2 0, 0.0 -72,-0.1 0, 0.0 3,-0.1 -0.444 39.4-179.6 -61.6 132.7 -17.4 -35.1 -4.9 203 189 A Q S S+ 0 0 139 -2,-0.1 2,-0.3 -74,-0.1 -74,-0.1 0.397 77.6 22.3 -97.7 -10.7 -21.2 -35.3 -4.6 204 190 A T S S- 0 0 91 -76,-0.1 2,-0.7 -3,-0.0 -74,-0.1 -0.850 107.4 -74.2-142.8 174.6 -20.9 -33.3 -1.4 205 191 A N + 0 0 78 -2,-0.3 4,-0.3 1,-0.2 -76,-0.2 -0.735 44.6 177.0 -82.9 116.1 -18.4 -30.9 0.0 206 192 A R > + 0 0 63 -78,-2.9 4,-1.5 -2,-0.7 -77,-0.2 0.455 54.0 99.6 -96.3 -2.4 -15.4 -33.0 1.2 207 193 A L T >4 S+ 0 0 23 -79,-0.6 3,-0.5 1,-0.2 4,-0.5 0.898 79.5 54.7 -57.9 -43.4 -13.2 -30.1 2.3 208 194 A P G >4 S+ 0 0 66 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.945 106.1 52.0 -48.1 -51.9 -14.2 -30.5 6.0 209 195 A A G >4 S+ 0 0 22 1,-0.3 3,-1.2 -4,-0.3 -2,-0.2 0.797 102.5 60.7 -57.4 -28.3 -13.1 -34.2 5.9 210 196 A Y G X< S+ 0 0 0 -4,-1.5 3,-1.3 -3,-0.5 -1,-0.3 0.607 84.3 80.9 -78.0 -9.7 -9.7 -33.1 4.4 211 197 A R G < S+ 0 0 162 -3,-2.2 -1,-0.3 -4,-0.5 -2,-0.2 0.753 88.4 53.3 -68.7 -20.9 -9.1 -31.1 7.5 212 198 A N G < S+ 0 0 143 -3,-1.2 2,-0.9 -4,-0.3 -1,-0.2 0.330 78.1 113.7 -92.7 3.5 -7.9 -34.2 9.4 213 199 A I < - 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