==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-APR-11 3RPC . COMPND 2 MOLECULE: POSSIBLE METAL-DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VEILLONELLA PARVULA; . AUTHOR K.TAN,N.MARSHALL,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 1048 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 729 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 14.5 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 . 107 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 4 8 4 0 0 4 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 11 1 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 0 PARALLEL BRIDGES PER LADDER . 12 0 8 4 12 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 8 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 A 0 0 113 0, 0.0 261,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -90.4 16.8 -13.1 -38.0 2 1 A X + 0 0 118 259,-0.1 2,-0.4 2,-0.0 14,-0.1 0.876 360.0 83.7 -63.8 -42.6 19.7 -10.8 -38.8 3 2 A T + 0 0 8 259,-0.2 259,-2.3 14,-0.1 2,-0.3 -0.513 63.3 130.9 -76.2 121.3 21.1 -10.4 -35.3 4 3 A Q E -AB 16 261A 55 12,-1.8 12,-3.1 -2,-0.4 2,-0.5 -0.981 51.1-126.8-162.7 161.1 23.4 -13.4 -34.5 5 4 A Y E -AB 15 260A 0 255,-2.7 255,-3.0 -2,-0.3 2,-0.7 -0.987 17.7-165.4-122.6 119.9 26.7 -14.6 -33.1 6 5 A T E -AB 14 259A 20 8,-2.9 8,-2.5 -2,-0.5 253,-0.3 -0.921 17.0-142.1-102.1 114.7 28.8 -17.0 -35.2 7 6 A H E +A 13 0A 1 251,-2.8 250,-2.3 -2,-0.7 6,-0.2 -0.571 23.6 174.6 -75.0 138.6 31.5 -18.6 -33.1 8 7 A I E - 0 0 0 4,-2.4 2,-0.3 -2,-0.2 5,-0.2 0.790 54.9 -43.6-106.2 -67.6 34.8 -19.0 -35.0 9 8 A R E > S-A 12 0A 0 3,-1.5 3,-2.4 247,-0.1 2,-0.4 -0.873 99.1 -23.2-172.6 134.2 37.5 -20.3 -32.7 10 9 A N T 3 S- 0 0 0 215,-0.6 214,-2.7 1,-0.3 215,-0.4 -0.489 132.3 -20.9 59.6-114.4 38.7 -19.6 -29.1 11 10 A A T 3 S+ 0 0 4 63,-0.5 2,-0.4 -2,-0.4 -1,-0.3 0.336 112.4 112.1-102.5 5.2 37.5 -16.0 -28.5 12 11 A T E < +A 9 0A 0 -3,-2.4 -4,-2.4 15,-0.1 -3,-1.5 -0.662 39.8 141.7 -83.7 129.3 37.2 -15.2 -32.3 13 12 A G E -AC 7 24A 0 11,-1.1 11,-3.1 -2,-0.4 2,-0.5 -0.948 47.7-119.4-154.6 169.9 33.6 -14.7 -33.5 14 13 A K E -AC 6 23A 24 -8,-2.5 -8,-2.9 -2,-0.3 2,-0.6 -0.981 23.8-165.2-121.5 117.2 31.4 -12.6 -35.8 15 14 A L E -AC 5 22A 0 7,-2.5 7,-3.0 -2,-0.5 2,-0.5 -0.905 4.3-165.5-104.4 116.7 28.7 -10.6 -34.1 16 15 A T E +AC 4 21A 15 -12,-3.1 -12,-1.8 -2,-0.6 2,-0.4 -0.905 12.3 171.9-106.5 126.2 26.0 -9.3 -36.5 17 16 A I E > - C 0 20A 1 3,-2.7 3,-2.1 -2,-0.5 2,-0.2 -0.987 67.9 -40.7-132.8 119.6 23.7 -6.6 -35.3 18 17 A K T 3 S- 0 0 65 -2,-0.4 102,-0.1 1,-0.3 137,-0.0 -0.433 125.2 -25.1 58.6-127.1 21.4 -5.1 -37.9 19 18 A N T 3 S+ 0 0 135 100,-0.2 2,-0.5 -2,-0.2 -1,-0.3 0.216 119.7 95.8 -99.2 14.8 23.6 -4.7 -41.1 20 19 A T E < -C 17 0A 5 -3,-2.1 -3,-2.7 99,-0.1 2,-0.5 -0.916 52.9-167.0-111.6 126.5 26.9 -4.5 -39.2 21 20 A T E -C 16 0A 12 -2,-0.5 43,-2.8 41,-0.4 44,-1.6 -0.953 6.4-159.2-113.2 120.9 29.1 -7.5 -38.6 22 21 A F E -Cd 15 65A 0 -7,-3.0 -7,-2.5 -2,-0.5 2,-0.7 -0.854 9.6-147.2 -96.6 123.7 31.9 -7.2 -36.1 23 22 A L E -Cd 14 66A 0 42,-2.6 44,-2.7 -2,-0.5 2,-0.4 -0.830 26.0-150.6 -84.5 117.4 34.9 -9.6 -36.3 24 23 A I E -Cd 13 67A 0 -11,-3.1 -11,-1.1 -2,-0.7 44,-0.2 -0.798 55.4 -25.8-100.3 129.8 35.9 -10.1 -32.6 25 24 A D S S- 0 0 2 42,-2.8 2,-0.6 -2,-0.4 -14,-0.2 0.824 75.1-150.7 42.8 61.9 39.4 -10.8 -31.4 26 25 A P + 0 0 0 0, 0.0 51,-1.2 0, 0.0 2,-0.6 -0.492 28.6 167.6 -74.7 113.2 40.7 -12.5 -34.5 27 26 A F + 0 0 0 -2,-0.6 -15,-0.1 -18,-0.3 47,-0.1 -0.962 12.5 165.7-119.5 100.7 43.4 -15.1 -33.8 28 27 A L + 0 0 3 -2,-0.6 24,-0.2 24,-0.0 -1,-0.1 0.325 14.4 136.5-112.1 6.4 43.5 -16.8 -37.2 29 28 A A - 0 0 0 1,-0.1 3,-0.1 22,-0.1 23,-0.1 -0.139 58.3-103.7 -59.0 147.0 46.7 -18.9 -37.4 30 29 A P > - 0 0 72 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.265 59.2 -64.7 -61.7 159.3 46.6 -22.4 -38.9 31 30 A K T 3 S+ 0 0 107 1,-0.2 18,-0.2 2,-0.1 20,-0.1 -0.110 118.7 3.8 -43.1 132.6 46.7 -25.4 -36.5 32 31 A D T 3 S+ 0 0 64 16,-3.1 -1,-0.2 -3,-0.1 17,-0.1 0.636 80.5 139.9 65.2 18.5 49.8 -25.8 -34.4 33 32 A T < + 0 0 55 -3,-1.6 -2,-0.1 15,-0.2 -1,-0.1 0.810 66.3 39.7 -59.0 -29.7 51.5 -22.6 -35.7 34 33 A Y B S-G 47 0B 45 13,-3.0 13,-2.8 14,-0.1 2,-0.1 -0.868 81.4-115.3-126.1 152.3 52.8 -21.8 -32.2 35 34 A P - 0 0 84 0, 0.0 11,-0.2 0, 0.0 9,-0.1 -0.433 56.2 -83.3 -69.1 159.8 54.3 -23.5 -29.2 36 35 A G - 0 0 11 7,-0.8 7,-0.1 1,-0.1 10,-0.1 -0.254 61.4 -79.5 -60.8 155.3 52.2 -23.4 -26.1 37 36 A F > - 0 0 50 4,-0.1 3,-1.4 1,-0.1 -1,-0.1 -0.348 56.1-106.0 -59.5 131.0 52.5 -20.3 -24.0 38 37 A E T 3 S+ 0 0 192 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.323 98.7 11.3 -61.0 137.0 55.7 -20.4 -21.8 39 38 A G T 3 S+ 0 0 34 1,-0.2 156,-2.0 -3,-0.1 -1,-0.2 0.631 104.0 117.4 75.9 15.8 55.1 -21.1 -18.1 40 39 A T B X S-H 194 0C 9 -3,-1.4 3,-1.2 154,-0.3 154,-0.3 -0.699 75.7 -71.7-115.4 164.7 51.5 -22.0 -18.5 41 40 A F T 3 S+ 0 0 6 152,-2.4 467,-0.2 1,-0.3 -4,-0.1 -0.255 118.4 2.0 -48.6 129.3 49.3 -25.1 -18.0 42 41 A N T > S+ 0 0 30 465,-2.3 3,-1.8 462,-0.1 -1,-0.3 0.867 78.4 166.8 59.8 40.4 50.0 -27.8 -20.6 43 42 A Y T < + 0 0 100 -3,-1.2 -7,-0.8 464,-0.4 -1,-0.1 0.695 63.8 72.0 -63.4 -18.9 52.7 -25.7 -22.2 44 43 A Q T 3 S+ 0 0 102 -9,-0.1 2,-0.3 463,-0.1 -1,-0.3 0.734 80.0 91.2 -67.7 -22.1 54.0 -28.7 -24.2 45 44 A Q S < S- 0 0 86 -3,-1.8 184,-0.2 -10,-0.1 -8,-0.1 -0.586 75.5-131.9 -82.9 130.8 50.9 -28.5 -26.4 46 45 A R - 0 0 107 -2,-0.3 -14,-0.1 -11,-0.2 -13,-0.1 -0.349 35.6 -93.1 -76.2 162.4 51.1 -26.5 -29.6 47 46 A X B S+G 34 0B 0 -13,-2.8 -13,-3.0 1,-0.1 181,-0.1 -0.969 92.8 29.2-147.5 156.3 48.3 -24.0 -30.6 48 47 A P S S- 0 0 0 0, 0.0 -16,-3.1 0, 0.0 -15,-0.2 0.603 70.0-160.3 -65.1 148.3 45.9 -23.4 -31.9 49 48 A X S S+ 0 0 48 178,-2.2 2,-0.3 -18,-0.2 178,-0.1 0.611 72.0 37.9 -81.1 -9.3 45.0 -27.0 -31.5 50 49 A V S S- 0 0 52 177,-0.1 -18,-0.1 -20,-0.0 2,-0.1 -0.960 84.3-114.5-135.7 153.1 42.4 -27.0 -34.3 51 50 A D - 0 0 89 -2,-0.3 -22,-0.1 1,-0.2 -2,-0.0 -0.327 50.7 -78.4 -74.2 165.5 42.2 -25.3 -37.7 52 51 A L - 0 0 35 -24,-0.2 -1,-0.2 1,-0.1 -43,-0.1 -0.326 36.1-129.1 -61.3 151.3 39.6 -22.7 -38.4 53 52 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.481 86.4 32.2 -84.7 -2.7 36.1 -24.0 -39.1 54 53 A L S S- 0 0 47 -46,-0.0 -2,-0.1 3,-0.0 203,-0.0 -0.960 92.5 -86.8-147.6 162.8 35.7 -22.1 -42.4 55 54 A S > - 0 0 63 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.308 39.7-114.1 -66.9 155.0 37.8 -20.7 -45.2 56 55 A X H > S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 117.5 56.8 -59.0 -36.6 39.4 -17.3 -44.9 57 56 A D H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.936 110.0 43.0 -60.4 -46.1 37.1 -16.0 -47.6 58 57 A D H 4 S+ 0 0 87 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.876 113.2 53.9 -68.0 -36.9 34.0 -17.0 -45.8 59 58 A L H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.936 118.1 33.7 -61.8 -45.6 35.4 -15.7 -42.5 60 59 A L H >< S+ 0 0 37 -4,-2.6 3,-1.7 -5,-0.2 -1,-0.2 0.670 90.5 104.0 -86.4 -15.4 36.2 -12.3 -43.9 61 60 A S T 3< S+ 0 0 69 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.781 92.6 15.2 -40.6 -66.8 33.2 -11.9 -46.3 62 61 A N T 3 S+ 0 0 126 -4,-0.4 -41,-0.4 -3,-0.2 2,-0.3 0.058 84.1 143.7-104.5 25.1 30.7 -9.6 -44.7 63 62 A V < + 0 0 16 -3,-1.7 -41,-0.2 1,-0.2 3,-0.1 -0.509 21.1 176.7 -70.2 128.2 32.9 -8.1 -42.0 64 63 A T - 0 0 38 -43,-2.8 2,-0.3 1,-0.4 -42,-0.2 0.673 65.9 -7.5 -99.7 -31.6 32.1 -4.4 -41.4 65 64 A A E -d 22 0A 0 -44,-1.6 -42,-2.6 23,-0.2 2,-0.4 -0.973 62.7-124.5-161.5 163.7 34.5 -3.7 -38.5 66 65 A V E -de 23 90A 0 23,-2.9 25,-3.2 -2,-0.3 2,-0.5 -0.944 11.8-158.1-120.2 141.5 36.9 -5.4 -36.1 67 66 A V E -de 24 91A 0 -44,-2.7 -42,-2.8 -2,-0.4 2,-0.6 -0.990 8.0-173.2-118.6 123.2 36.8 -5.3 -32.3 68 67 A V - 0 0 0 23,-3.0 25,-0.4 -2,-0.5 81,-0.1 -0.939 7.9-172.0-119.9 105.4 40.1 -6.1 -30.6 69 68 A T S S- 0 0 0 -2,-0.6 80,-1.8 1,-0.2 2,-0.3 0.780 73.4 -22.9 -71.1 -26.8 39.7 -6.3 -26.8 70 69 A H - 0 0 3 78,-0.2 -1,-0.2 2,-0.1 78,-0.1 -0.933 64.5-108.2-172.8 168.6 43.5 -6.6 -26.3 71 70 A T + 0 0 40 -2,-0.3 5,-0.1 -3,-0.1 77,-0.1 0.081 60.0 137.5-107.3 25.3 46.5 -7.7 -28.3 72 71 A H >> - 0 0 58 1,-0.1 3,-2.4 73,-0.1 4,-1.0 -0.409 69.4-107.4 -57.0 147.1 47.4 -11.0 -26.7 73 72 A L G >4 S+ 0 0 49 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.815 118.1 58.3 -48.1 -42.7 48.3 -13.5 -29.4 74 73 A D G 34 S+ 0 0 6 1,-0.2 -63,-0.5 -47,-0.1 -1,-0.3 0.336 115.2 36.8 -79.6 10.1 45.1 -15.5 -28.9 75 74 A H G <4 S+ 0 0 0 -3,-2.4 -1,-0.2 1,-0.3 2,-0.2 0.391 130.6 19.7-129.4 -8.8 43.1 -12.4 -29.7 76 75 A W S << S+ 0 0 10 -4,-1.0 -1,-0.3 -3,-0.6 2,-0.2 -0.764 75.5 168.0-167.5 107.5 45.2 -10.7 -32.4 77 76 A D > - 0 0 2 -51,-1.2 4,-2.6 -2,-0.2 5,-0.2 -0.757 49.5 -97.7-129.3 172.5 47.8 -12.5 -34.5 78 77 A D H > S+ 0 0 97 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.872 120.8 56.4 -55.7 -39.8 50.0 -12.1 -37.5 79 78 A T H > S+ 0 0 34 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.932 109.9 45.3 -60.6 -44.3 47.6 -14.1 -39.6 80 79 A A H >> S+ 0 0 0 1,-0.2 4,-2.5 -54,-0.2 3,-0.9 0.936 111.0 53.3 -61.4 -47.6 44.9 -11.6 -38.7 81 80 A I H 3< S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 114.9 41.2 -54.6 -39.8 47.2 -8.6 -39.4 82 81 A N H 3< S+ 0 0 130 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.553 120.1 42.3 -88.9 -8.5 48.0 -9.9 -42.8 83 82 A S H << S+ 0 0 41 -4,-0.9 -2,-0.2 -3,-0.9 -3,-0.2 0.747 91.1 85.6-108.8 -35.4 44.5 -11.1 -43.8 84 83 A I S < S- 0 0 3 -4,-2.5 -18,-0.0 -5,-0.2 -24,-0.0 -0.558 89.3-104.5 -76.5 128.7 42.2 -8.3 -42.6 85 84 A P > - 0 0 62 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.273 25.5-133.8 -52.6 132.3 41.7 -5.4 -45.1 86 85 A K T 3 S+ 0 0 75 1,-0.3 21,-2.0 20,-0.1 22,-0.6 0.626 99.8 61.3 -67.3 -15.1 43.7 -2.4 -43.7 87 86 A S T 3 S+ 0 0 78 19,-0.2 -1,-0.3 20,-0.1 3,-0.0 0.541 76.3 108.7 -92.4 -7.0 40.8 -0.0 -44.3 88 87 A L S < S- 0 0 29 -3,-1.6 20,-0.4 1,-0.1 -23,-0.2 -0.465 81.1-104.4 -69.5 138.3 38.3 -1.7 -42.0 89 88 A P - 0 0 14 0, 0.0 -23,-2.9 0, 0.0 2,-0.5 -0.451 36.0-159.2 -60.5 132.4 37.5 0.2 -38.8 90 89 A I E -ef 66 109A 0 18,-2.4 20,-3.2 -25,-0.2 2,-0.5 -0.980 2.8-152.1-118.1 121.5 39.3 -1.5 -35.8 91 90 A F E +ef 67 110A 0 -25,-3.2 -23,-3.0 -2,-0.5 2,-0.2 -0.808 22.4 175.6 -96.9 130.7 38.0 -0.8 -32.3 92 91 A V E - f 0 111A 0 18,-2.5 20,-2.8 -2,-0.5 -23,-0.1 -0.801 36.0-121.8-134.1 170.1 40.6 -1.0 -29.5 93 92 A Q S S- 0 0 13 -25,-0.4 2,-0.3 -2,-0.2 18,-0.1 0.704 80.4 -5.8 -89.7 -21.9 40.8 -0.4 -25.8 94 93 A N S > S- 0 0 28 1,-0.1 4,-1.9 16,-0.0 5,-0.1 -0.947 75.3 -86.3-164.4 174.8 43.6 2.2 -25.4 95 94 A T H > S+ 0 0 46 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.866 118.2 57.9 -65.4 -38.3 46.3 4.3 -27.1 96 95 A A H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 109.6 44.3 -60.3 -43.7 49.0 1.6 -26.8 97 96 A D H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.881 112.5 52.7 -68.7 -38.1 46.9 -0.9 -28.7 98 97 A K H X S+ 0 0 77 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.937 109.8 48.9 -60.9 -44.8 46.0 1.8 -31.3 99 98 A E H X S+ 0 0 128 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.919 112.5 48.3 -63.2 -41.1 49.7 2.6 -31.8 100 99 A L H X S+ 0 0 65 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.963 115.4 42.3 -61.6 -52.1 50.5 -1.0 -32.2 101 100 A I H ><>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.2 3,-0.6 0.870 112.7 53.4 -69.7 -36.1 47.7 -1.8 -34.7 102 101 A T H ><5S+ 0 0 67 -4,-2.9 3,-1.9 -5,-0.2 -1,-0.2 0.897 105.5 54.9 -58.2 -42.5 48.3 1.5 -36.6 103 102 A S H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.705 100.3 62.4 -66.4 -17.4 52.0 0.5 -36.9 104 103 A Q T <<5S- 0 0 48 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.331 129.0 -93.4 -91.7 6.1 50.7 -2.7 -38.5 105 104 A G T < 5S+ 0 0 35 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.379 78.2 139.4 105.8 -3.4 49.2 -0.8 -41.4 106 105 A F < - 0 0 1 -5,-1.6 -1,-0.3 1,-0.1 3,-0.3 -0.624 30.5-169.6 -80.1 126.1 45.6 -0.3 -40.2 107 106 A I S S+ 0 0 137 -21,-2.0 2,-0.3 -2,-0.4 -1,-0.1 0.553 74.0 50.3 -98.2 -8.0 44.5 3.2 -41.2 108 107 A D + 0 0 48 -22,-0.6 -18,-2.4 -20,-0.4 2,-0.5 -0.666 66.2 156.4-133.1 76.6 41.2 3.5 -39.2 109 108 A V E -f 90 0A 6 -2,-0.3 2,-0.5 -3,-0.3 -18,-0.2 -0.905 20.6-164.7-107.6 129.6 41.8 2.5 -35.6 110 109 A R E -f 91 0A 77 -20,-3.2 -18,-2.5 -2,-0.5 2,-0.5 -0.956 11.3-143.1-125.9 121.2 39.4 3.9 -33.0 111 110 A I E -f 92 0A 17 -2,-0.5 2,-1.3 -20,-0.2 3,-0.2 -0.678 10.7-142.4 -82.2 125.4 39.9 3.9 -29.2 112 111 A I + 0 0 0 -20,-2.8 4,-0.1 -2,-0.5 -1,-0.1 -0.736 29.9 167.5 -84.5 93.7 36.8 3.2 -27.1 113 112 A F S S- 0 0 78 -2,-1.3 -1,-0.2 2,-0.2 3,-0.1 0.919 82.2 -30.4 -72.0 -45.3 37.6 5.7 -24.3 114 113 A E S S- 0 0 54 1,-0.3 11,-2.5 -3,-0.2 2,-0.3 0.406 124.0 -21.3-132.6 -66.7 34.0 5.4 -22.9 115 114 A S E -I 124 0D 47 9,-0.2 2,-0.3 -4,-0.1 -1,-0.3 -0.983 52.7-165.8-146.6 154.6 31.7 4.7 -25.8 116 115 A L E -I 123 0D 51 7,-2.1 7,-3.0 -2,-0.3 2,-0.4 -0.958 17.7-130.7-134.3 156.3 31.6 5.1 -29.6 117 116 A E E +I 122 0D 148 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.882 23.8 175.7-105.7 142.4 28.8 5.0 -32.1 118 117 A F E > -I 121 0D 18 3,-2.5 3,-2.3 -2,-0.4 -98,-0.1 -0.891 69.9 -27.6-148.5 112.3 29.1 2.9 -35.3 119 118 A N T 3 S- 0 0 106 -2,-0.3 -100,-0.2 1,-0.3 3,-0.1 0.844 126.6 -46.3 51.4 40.6 26.3 2.5 -37.8 120 119 A G T 3 S+ 0 0 49 1,-0.3 2,-0.5 -102,-0.1 36,-0.4 0.396 116.7 115.0 86.1 -2.1 23.6 3.0 -35.1 121 120 A I E < -I 118 0D 0 -3,-2.3 -3,-2.5 34,-0.1 2,-0.5 -0.876 57.0-145.2-104.8 130.8 25.3 0.7 -32.7 122 121 A T E -IJ 117 154D 27 32,-2.9 32,-2.4 -2,-0.5 2,-0.5 -0.831 10.0-162.5 -96.2 127.4 26.8 1.9 -29.4 123 122 A L E -IJ 116 153D 0 -7,-3.0 -7,-2.1 -2,-0.5 2,-0.5 -0.950 8.0-170.0-109.7 121.6 29.9 0.2 -28.2 124 123 A R E -IJ 115 152D 75 28,-2.7 28,-2.6 -2,-0.5 2,-0.3 -0.943 19.6-127.9-117.1 129.4 30.7 0.8 -24.5 125 124 A K E - J 0 151D 66 -11,-2.5 2,-0.3 -2,-0.5 26,-0.2 -0.538 24.5-163.8 -74.1 133.9 34.0 -0.2 -22.9 126 125 A T E - J 0 150D 8 24,-2.5 24,-1.7 -2,-0.3 47,-0.1 -0.845 17.5-114.2-113.7 156.6 33.8 -2.3 -19.8 127 126 A G + 0 0 27 -2,-0.3 2,-0.3 45,-0.3 43,-0.1 -0.271 35.0 166.8 -83.5 171.0 36.5 -3.0 -17.3 128 127 A G - 0 0 10 21,-0.1 2,-0.4 -2,-0.1 20,-0.3 -0.961 31.7-135.4-173.3 159.4 38.3 -6.2 -16.4 129 128 A S - 0 0 5 39,-0.4 39,-2.6 -2,-0.3 2,-1.8 -0.979 14.3-151.4-126.8 117.8 41.2 -7.8 -14.6 130 129 A H S S+ 0 0 2 16,-0.6 2,-0.2 -2,-0.4 37,-0.1 -0.312 79.1 7.7 -84.4 52.9 43.1 -10.5 -16.5 131 130 A G S S- 0 0 0 -2,-1.8 37,-0.3 69,-0.0 70,-0.2 -0.801 92.3 -73.1 150.9 163.2 44.1 -12.3 -13.3 132 131 A T > - 0 0 30 -2,-0.2 4,-2.0 68,-0.2 5,-0.2 -0.331 48.8-101.8 -79.0 169.0 43.5 -12.2 -9.6 133 132 A V H > S+ 0 0 52 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.915 123.6 54.8 -56.5 -45.2 45.0 -9.6 -7.2 134 133 A E H 4 S+ 0 0 133 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.869 107.5 50.0 -56.6 -39.5 47.7 -12.1 -6.1 135 134 A X H >4 S+ 0 0 3 1,-0.2 3,-1.2 -3,-0.2 7,-0.4 0.888 109.1 50.4 -68.4 -38.4 48.7 -12.5 -9.8 136 135 A Y H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.703 102.4 62.3 -74.2 -16.4 48.9 -8.8 -10.4 137 136 A A T 3< S+ 0 0 33 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.568 86.7 90.5 -79.1 -10.3 51.1 -8.5 -7.2 138 137 A N S <> S- 0 0 51 -3,-1.2 4,-2.7 -4,-0.3 -3,-0.0 -0.800 70.7-151.8 -91.0 119.0 53.6 -10.7 -9.1 139 138 A P T 4 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.716 93.8 46.8 -65.1 -22.6 56.1 -8.6 -11.1 140 139 A V T > S+ 0 0 106 2,-0.1 4,-0.6 3,-0.1 -4,-0.0 0.931 118.1 37.3 -83.5 -49.6 56.6 -11.3 -13.6 141 140 A L H >> S+ 0 0 17 1,-0.2 4,-1.5 -6,-0.2 3,-0.6 0.882 105.1 69.8 -70.3 -40.4 53.0 -12.3 -14.4 142 141 A A H >X S+ 0 0 6 -4,-2.7 4,-2.3 -7,-0.4 3,-0.7 0.880 98.7 44.2 -50.1 -54.4 51.5 -8.8 -14.1 143 142 A P H 34 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.809 112.1 56.1 -66.1 -25.0 52.9 -7.2 -17.3 144 143 A L H << S+ 0 0 117 -4,-0.6 -2,-0.2 -3,-0.6 -3,-0.1 0.783 109.7 46.0 -72.7 -26.9 52.1 -10.4 -19.2 145 144 A A H << S+ 0 0 8 -4,-1.5 -3,-0.1 -3,-0.7 -1,-0.1 0.937 86.5 155.8 -79.8 -51.6 48.5 -10.1 -18.1 146 145 A G < - 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0 0 24 -2,-0.8 4,-1.5 -43,-0.1 3,-1.0 -0.727 64.5 -89.4-126.8 179.6 35.4 -8.4 -10.5 171 170 A S H 3> S+ 0 0 7 1,-0.2 4,-2.8 -2,-0.2 5,-0.1 0.735 121.7 68.4 -64.0 -20.5 33.2 -5.4 -9.6 172 171 A D H 3> S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -45,-0.3 0.870 101.0 47.2 -65.4 -34.2 33.7 -4.2 -13.2 173 172 A V H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.926 111.9 49.5 -69.6 -45.9 31.6 -7.2 -14.3 174 173 A E H X S+ 0 0 5 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.894 110.8 52.1 -58.6 -41.3 29.0 -6.4 -11.6 175 174 A K H X S+ 0 0 13 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.937 110.7 45.3 -60.6 -49.8 28.9 -2.8 -12.8 176 175 A A H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 5,-0.4 0.912 112.4 52.3 -63.0 -41.8 28.4 -3.7 -16.5 177 176 A L H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.915 116.5 37.4 -61.3 -45.3 25.7 -6.2 -15.6 178 177 A L H < S+ 0 0 76 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.902 118.8 47.4 -76.9 -39.5 23.6 -3.9 -13.5 179 178 A R H < S+ 0 0 113 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.880 128.2 21.4 -69.6 -37.9 24.2 -0.7 -15.6 180 179 A F H < S- 0 0 56 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.2 0.500 84.1-147.2-115.2 -6.9 23.4 -2.2 -19.0 181 180 A D < - 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0 0 114 -2,-0.5 -14,-0.1 -11,-0.2 -13,-0.1 -0.296 36.1 -89.8 -72.3 161.8 21.3 -43.0 -9.7 310 46 B X B S+V 297 0G 0 -13,-2.6 -13,-3.1 -15,-0.1 2,-0.1 -0.971 93.5 31.8-146.5 155.2 24.2 -44.3 -7.6 311 47 B P S S- 0 0 0 0, 0.0 -16,-3.0 0, 0.0 -15,-0.2 0.570 70.6-154.4 -67.0 150.2 26.6 -46.0 -7.3 312 48 B X S S+ 0 0 54 178,-2.1 2,-0.3 -18,-0.2 178,-0.1 0.697 73.9 28.1 -75.3 -18.3 27.3 -45.4 -11.0 313 49 B V S S- 0 0 56 177,-0.1 -18,-0.1 -20,-0.0 2,-0.0 -0.945 84.2-109.3-136.8 157.8 29.2 -48.7 -11.4 314 50 B D - 0 0 91 -2,-0.3 -22,-0.1 1,-0.2 -2,-0.0 -0.270 53.6 -75.4 -73.5 170.1 29.3 -52.1 -9.7 315 51 B L - 0 0 33 -24,-0.2 -1,-0.2 1,-0.1 -43,-0.1 -0.355 35.5-131.0 -64.6 150.2 32.1 -53.2 -7.5 316 52 B P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.401 86.2 32.0 -86.1 3.8 35.3 -54.3 -9.3 317 53 B L S S- 0 0 37 0, 0.0 -2,-0.1 0, 0.0 203,-0.0 -0.961 93.5 -83.9-153.5 164.2 35.6 -57.5 -7.4 318 54 B S > - 0 0 70 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.285 39.3-114.8 -70.0 159.2 33.5 -60.2 -5.8 319 55 B X H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 117.9 50.7 -61.1 -38.7 32.2 -59.7 -2.2 320 56 B D H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 110.0 48.9 -67.5 -39.9 34.3 -62.6 -1.0 321 57 B D H 4 S+ 0 0 90 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.924 113.6 48.9 -63.6 -43.7 37.4 -61.2 -2.7 322 58 B L H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.932 122.0 31.3 -59.0 -48.3 36.6 -57.9 -1.0 323 59 B L H >< S+ 0 0 26 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.698 93.7 90.7 -89.3 -19.7 36.0 -59.2 2.5 324 60 B S T 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.842 96.0 30.1 -51.6 -51.1 38.3 -62.2 2.7 325 61 B N T 3 S+ 0 0 74 -4,-0.5 -41,-0.3 -3,-0.2 -1,-0.3 0.237 85.9 132.7 -97.7 14.2 41.5 -60.7 4.1 326 62 B V < + 0 0 15 -3,-1.7 -41,-0.2 1,-0.2 3,-0.1 -0.490 27.6 176.9 -76.0 131.2 39.9 -57.9 6.1 327 63 B T - 0 0 42 -43,-2.9 2,-0.3 1,-0.4 -42,-0.2 0.731 67.7 -11.0 -99.6 -33.5 41.2 -57.5 9.7 328 64 B A E -s 285 0F 0 -44,-1.6 -42,-2.8 23,-0.2 -1,-0.4 -0.968 63.3-122.2-161.4 163.6 39.2 -54.5 10.7 329 65 B V E -st 286 353F 0 23,-2.7 25,-3.4 -2,-0.3 2,-0.5 -0.944 12.2-157.0-118.6 139.7 37.0 -51.8 9.3 330 66 B V E -st 287 354F 0 -44,-2.8 -42,-2.7 -2,-0.4 2,-0.6 -0.978 8.4-172.5-115.3 123.0 37.5 -48.0 9.5 331 67 B V - 0 0 0 23,-2.9 25,-0.5 -2,-0.5 81,-0.1 -0.926 7.6-173.0-118.4 105.7 34.4 -45.9 9.1 332 68 B T S S- 0 0 0 -2,-0.6 80,-1.9 1,-0.2 2,-0.3 0.782 73.5 -20.8 -72.4 -28.0 35.2 -42.2 8.9 333 69 B H - 0 0 3 78,-0.2 -1,-0.2 2,-0.1 78,-0.1 -0.936 64.2-110.9-170.1 165.4 31.5 -41.2 9.0 334 70 B T + 0 0 40 -2,-0.3 5,-0.1 -3,-0.1 77,-0.1 0.088 59.4 138.5-103.7 25.8 28.2 -42.9 8.3 335 71 B H >> - 0 0 56 1,-0.1 3,-2.4 73,-0.1 4,-0.9 -0.392 69.0-107.7 -56.5 147.2 27.1 -41.0 5.2 336 72 B L G >4 S+ 0 0 49 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.827 118.6 57.8 -49.4 -42.8 25.5 -43.5 2.8 337 73 B D G 34 S+ 0 0 5 1,-0.2 -63,-0.5 -47,-0.1 -1,-0.3 0.356 115.2 37.8 -76.7 9.7 28.5 -43.4 0.4 338 74 B H G <4 S+ 0 0 0 -3,-2.4 -1,-0.2 1,-0.3 2,-0.2 0.408 130.9 18.2-129.5 -6.8 30.8 -44.5 3.2 339 75 B W S << S+ 0 0 8 -4,-0.9 -1,-0.3 -3,-0.6 2,-0.2 -0.734 76.3 168.2-170.5 105.7 28.6 -47.0 5.1 340 76 B D > - 0 0 2 -51,-1.1 4,-2.7 -2,-0.2 5,-0.2 -0.721 49.2 -95.2-126.8 174.9 25.6 -48.6 3.5 341 77 B D H > S+ 0 0 90 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.874 121.6 54.8 -57.4 -41.1 23.0 -51.4 3.9 342 78 B T H > S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.941 110.3 46.8 -60.4 -44.0 25.0 -53.8 1.8 343 79 B A H >> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.8 0.940 111.3 52.0 -59.1 -48.0 28.1 -53.2 4.0 344 80 B I H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 115.7 40.5 -57.1 -37.4 25.9 -53.7 7.1 345 81 B N H 3< S+ 0 0 105 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.526 121.3 40.7 -92.3 -6.8 24.6 -57.0 5.8 346 82 B S H << S+ 0 0 42 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.2 0.730 90.3 86.7-113.1 -32.9 27.8 -58.4 4.3 347 83 B I S < S- 0 0 4 -4,-2.6 -18,-0.0 -5,-0.2 -24,-0.0 -0.573 90.5-103.6 -75.1 127.9 30.6 -57.5 6.8 348 84 B P > - 0 0 65 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.233 25.7-132.0 -50.6 133.1 31.1 -60.1 9.5 349 85 B K T 3 S+ 0 0 74 1,-0.3 21,-2.1 20,-0.1 22,-0.6 0.641 101.4 60.8 -66.1 -15.6 29.5 -58.7 12.7 350 86 B S T 3 S+ 0 0 76 19,-0.2 -1,-0.3 20,-0.1 19,-0.1 0.519 74.5 111.7 -90.8 -7.3 32.6 -59.6 14.7 351 87 B L S < S- 0 0 23 -3,-1.6 20,-0.4 1,-0.1 -23,-0.2 -0.463 79.3-107.9 -66.1 134.4 35.2 -57.5 12.8 352 88 B P - 0 0 15 0, 0.0 -23,-2.7 0, 0.0 2,-0.5 -0.434 35.2-156.8 -58.7 135.2 36.5 -54.6 14.8 353 89 B I E -tu 329 372F 0 18,-2.6 20,-3.2 -25,-0.2 2,-0.5 -0.978 2.1-152.3-119.0 121.0 35.0 -51.4 13.5 354 90 B F E +tu 330 373F 2 -25,-3.4 -23,-2.9 -2,-0.5 2,-0.3 -0.817 22.7 176.6 -95.1 130.6 36.8 -48.1 14.2 355 91 B V E - u 0 374F 0 18,-2.4 20,-3.0 -2,-0.5 -23,-0.1 -0.820 36.4-123.3-133.9 170.0 34.6 -45.0 14.3 356 92 B Q S S- 0 0 13 -25,-0.5 2,-0.3 -2,-0.3 18,-0.1 0.685 80.8 -4.7 -91.6 -21.6 34.9 -41.3 15.0 357 93 B N S > S- 0 0 27 1,-0.1 4,-2.0 16,-0.1 5,-0.1 -0.964 73.9 -87.7-164.3 175.4 32.4 -40.7 17.9 358 94 B T H > S+ 0 0 45 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.888 118.1 57.1 -65.6 -40.0 29.8 -42.1 20.3 359 95 B A H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 110.1 44.6 -57.3 -43.6 26.9 -41.4 17.9 360 96 B D H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.863 112.6 52.0 -71.9 -34.7 28.5 -43.5 15.2 361 97 B K H X S+ 0 0 72 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.941 109.5 49.5 -63.3 -46.4 29.4 -46.3 17.6 362 98 B E H X S+ 0 0 129 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.909 112.7 48.3 -59.0 -41.1 25.8 -46.4 18.9 363 99 B L H X S+ 0 0 64 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.956 114.8 42.5 -64.8 -50.3 24.5 -46.6 15.3 364 100 B I H <>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 3,-0.4 0.860 112.8 53.5 -69.9 -33.3 26.9 -49.4 14.2 365 101 B T H ><5S+ 0 0 64 -4,-2.8 3,-2.0 -5,-0.2 -1,-0.2 0.920 105.5 54.8 -61.7 -43.0 26.3 -51.3 17.4 366 102 B S H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 100.0 62.1 -63.8 -19.5 22.6 -51.1 16.8 367 103 B Q T 3<5S- 0 0 46 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.274 128.7 -94.1 -92.7 10.8 23.2 -52.7 13.4 368 104 B G T < 5S+ 0 0 37 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.410 76.9 142.1 100.2 0.7 24.6 -55.8 15.1 369 105 B F < - 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