==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-OCT-11 3UAY . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR P.DESSANTI,Y.ZHANG,S.ALLEGRINI,M.G.TOZZI,F.SGARRELLA,S.E.EAL . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 17 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 0 0 1 0 0 2 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 2 A S 0 0 53 0, 0.0 3,-0.4 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0-178.2 35.5 18.2 67.7 2 3 A V + 0 0 120 1,-0.2 3,-0.0 3,-0.0 0, 0.0 0.891 360.0 22.5 -60.6 -39.2 34.7 21.5 65.8 3 4 A H S S+ 0 0 36 67,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.343 118.5 62.7-112.2 3.4 34.2 19.8 62.4 4 5 A I - 0 0 1 -3,-0.4 -1,-0.1 2,-0.1 35,-0.1 -0.992 57.9-162.8-133.0 124.8 33.4 16.1 63.4 5 6 A E + 0 0 118 -2,-0.4 34,-0.1 33,-0.1 -1,-0.1 0.365 47.8 126.9 -91.8 9.6 30.4 15.2 65.5 6 7 A A - 0 0 9 1,-0.1 2,-0.2 3,-0.0 -2,-0.1 -0.264 59.0-120.4 -66.4 146.8 31.6 11.8 66.6 7 8 A K > - 0 0 74 1,-0.1 3,-2.1 31,-0.0 4,-0.3 -0.517 45.6 -79.7 -76.3 153.2 31.7 10.7 70.2 8 9 A Q T 3 S+ 0 0 143 1,-0.3 -1,-0.1 -2,-0.2 71,-0.1 -0.304 120.1 22.7 -47.3 129.4 35.0 9.7 71.7 9 10 A G T 3 S+ 0 0 75 2,-0.2 -1,-0.3 70,-0.1 70,-0.1 0.260 92.8 101.8 92.2 -11.2 35.8 6.1 70.7 10 11 A E S < S+ 0 0 89 -3,-2.1 2,-0.5 2,-0.1 -2,-0.1 0.675 70.6 69.4 -79.7 -17.4 33.6 6.1 67.5 11 12 A I S S- 0 0 9 -4,-0.3 -2,-0.2 68,-0.1 37,-0.1 -0.888 84.8-126.7-105.6 129.9 36.6 6.6 65.2 12 13 A A - 0 0 13 -2,-0.5 45,-0.1 2,-0.2 44,-0.1 -0.269 18.9-116.0 -71.9 161.6 39.1 3.8 64.8 13 14 A E S S+ 0 0 125 68,-0.2 69,-2.6 42,-0.1 70,-2.3 0.705 104.2 58.3 -72.6 -20.8 42.9 4.2 65.3 14 15 A S E S+a 83 0A 20 41,-0.2 43,-2.3 68,-0.2 2,-0.4 -0.950 73.5 176.0-109.7 132.8 43.5 3.4 61.6 15 16 A I E -ab 84 57A 1 68,-2.5 70,-2.7 -2,-0.4 2,-0.4 -0.996 27.2-142.4-143.8 138.7 41.8 5.6 59.1 16 17 A L E -ab 85 58A 1 41,-2.4 43,-2.6 -2,-0.4 70,-0.2 -0.821 17.7-156.3 -95.2 141.2 41.6 6.1 55.3 17 18 A L E +a 86 0A 0 68,-2.6 70,-0.8 -2,-0.4 43,-0.1 -0.711 14.6 175.9-126.9 77.4 41.4 9.7 54.1 18 19 A P - 0 0 2 0, 0.0 43,-1.4 0, 0.0 44,-0.3 -0.485 32.6-133.2 -69.4 152.6 39.9 10.2 50.6 19 20 A G S S+ 0 0 14 68,-0.4 43,-2.0 41,-0.2 69,-0.1 0.866 91.4 67.5 -71.1 -36.4 39.5 13.8 49.5 20 21 A D S >> S- 0 0 74 1,-0.1 4,-1.5 41,-0.1 3,-1.0 -0.761 70.9-152.7 -91.4 120.5 35.9 13.2 48.4 21 22 A P H 3> S+ 0 0 29 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.812 98.5 59.7 -62.1 -27.3 33.4 12.4 51.1 22 23 A L H 3> S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.789 102.0 53.8 -71.4 -24.9 31.3 10.4 48.5 23 24 A R H <> S+ 0 0 60 -3,-1.0 4,-3.0 2,-0.2 -1,-0.2 0.844 103.4 56.0 -73.1 -33.1 34.4 8.2 48.1 24 25 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.941 109.0 47.4 -58.6 -44.7 34.4 7.6 51.8 25 26 A K H X S+ 0 0 81 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.930 112.1 49.3 -61.3 -46.0 30.9 6.4 51.5 26 27 A Y H X S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.926 111.8 48.9 -59.5 -44.7 31.8 4.2 48.5 27 28 A I H X>S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 5,-0.6 0.940 113.1 46.7 -61.9 -46.8 34.8 2.7 50.4 28 29 A A H X5S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.938 116.8 43.3 -61.8 -46.4 32.7 2.0 53.5 29 30 A E H <5S+ 0 0 125 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.841 120.0 42.1 -69.8 -32.0 29.8 0.4 51.5 30 31 A T H <5S+ 0 0 68 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.866 130.1 16.6 -85.6 -37.6 32.1 -1.6 49.3 31 32 A F H <5S+ 0 0 25 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.658 106.0 75.8-113.0 -22.0 34.8 -2.9 51.7 32 33 A L << - 0 0 12 -4,-1.6 2,-0.3 -5,-0.6 3,-0.2 -0.662 52.5-155.1-106.0 154.8 33.6 -2.7 55.3 33 34 A E E S+C 50 0A 141 17,-2.6 17,-2.4 -2,-0.3 -3,-0.0 -0.772 75.6 26.3-113.7 164.0 31.2 -4.6 57.5 34 35 A D E S- 0 0 126 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.923 87.6-175.1 52.2 51.5 29.2 -3.5 60.6 35 36 A V E + 0 0 59 -3,-0.2 2,-0.3 14,-0.1 14,-0.2 -0.575 19.2 179.3 -88.0 135.9 29.4 0.1 59.3 36 37 A T E -C 48 0A 79 12,-2.6 12,-2.2 -2,-0.3 2,-0.6 -0.937 26.6-130.7-124.0 156.8 28.2 3.2 61.1 37 38 A C E +C 47 0A 67 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.950 24.8 177.0-101.9 116.7 28.3 6.8 59.9 38 39 A Y E + 0 0 12 8,-1.7 2,-0.3 -2,-0.6 9,-0.2 0.539 60.9 38.3 -99.1 -8.9 29.8 8.9 62.7 39 40 A N E +C 46 0A 1 7,-1.4 7,-1.4 -34,-0.1 -1,-0.2 -0.979 33.7 152.0-148.4 135.8 29.9 12.3 60.9 40 41 A N > + 0 0 93 -2,-0.3 3,-2.3 5,-0.2 5,-0.2 0.205 35.6 137.9-135.5 12.3 27.9 14.4 58.5 41 42 A V G > S- 0 0 44 1,-0.3 3,-2.3 3,-0.2 -38,-0.0 -0.394 88.0 -2.3 -58.1 130.7 29.0 17.9 59.6 42 43 A R G 3 S- 0 0 198 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.662 123.4 -76.8 57.0 20.2 29.5 20.0 56.4 43 44 A G G < S+ 0 0 34 -3,-2.3 2,-1.9 1,-0.2 -1,-0.3 0.591 93.7 143.3 69.4 11.0 28.7 16.8 54.4 44 45 A M < - 0 0 20 -3,-2.3 -3,-0.2 -41,-0.1 -1,-0.2 -0.521 43.3-150.0 -90.2 76.9 32.1 15.5 55.2 45 46 A L - 0 0 22 -2,-1.9 15,-2.5 -5,-0.2 2,-0.3 -0.094 19.4-178.3 -55.5 137.3 31.1 11.9 55.7 46 47 A G E -CD 39 59A 0 -7,-1.4 -8,-1.7 13,-0.2 -7,-1.4 -0.997 2.5-176.5-136.7 141.9 33.0 9.7 58.0 47 48 A F E -CD 37 58A 15 11,-2.6 11,-2.4 -2,-0.3 2,-0.4 -0.939 14.5-156.7-135.6 152.3 32.4 6.0 58.7 48 49 A T E +CD 36 57A 4 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.2 -0.997 32.5 131.0-128.1 138.3 33.7 3.2 60.9 49 50 A G E - D 0 56A 0 7,-2.6 7,-2.5 -2,-0.4 2,-0.4 -0.823 49.8 -81.0-156.7-160.1 33.4 -0.5 60.2 50 51 A T E -CD 33 55A 19 -17,-2.4 -17,-2.6 5,-0.2 2,-0.4 -0.937 24.9-169.5-125.3 140.2 35.4 -3.7 60.0 51 52 A Y E > S- D 0 54A 21 3,-2.5 3,-1.9 -2,-0.4 -19,-0.1 -0.978 82.7 -16.2-131.1 119.0 37.7 -5.1 57.3 52 53 A K T 3 S- 0 0 153 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.882 131.7 -52.9 49.3 40.9 38.8 -8.7 57.5 53 54 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.327 116.1 111.9 85.6 -5.9 37.7 -8.5 61.1 54 55 A K E < - D 0 51A 35 -3,-1.9 -3,-2.5 1,-0.0 -1,-0.2 -0.867 69.4-117.5-107.2 132.1 39.7 -5.4 62.1 55 56 A R E + D 0 50A 121 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.368 43.7 161.0 -63.5 138.9 38.0 -2.0 62.9 56 57 A V E - D 0 49A 1 -7,-2.5 -7,-2.6 -43,-0.1 2,-0.2 -0.978 22.7-145.2-156.4 151.7 39.0 0.8 60.5 57 58 A S E -bD 15 48A 1 -43,-2.3 -41,-2.4 -2,-0.3 2,-0.3 -0.730 1.6-154.3-118.6 170.5 37.5 4.2 59.6 58 59 A V E +bD 16 47A 1 -11,-2.4 -11,-2.6 -2,-0.2 2,-0.4 -0.961 14.9 180.0-149.8 127.0 37.2 6.3 56.5 59 60 A Q E - D 0 46A 0 -43,-2.6 -13,-0.2 -2,-0.3 -14,-0.1 -0.986 25.2-128.7-137.9 121.5 36.9 10.1 56.6 60 61 A G - 0 0 0 -15,-2.5 -41,-0.2 -2,-0.4 -40,-0.1 -0.357 19.1-171.9 -62.7 149.6 36.6 12.6 53.8 61 62 A T - 0 0 0 -43,-1.4 10,-0.3 1,-0.2 -42,-0.2 0.560 25.9-133.4-115.6 -16.5 39.1 15.5 54.0 62 63 A G - 0 0 9 -43,-2.0 2,-0.4 -44,-0.3 -1,-0.2 -0.189 42.3 -55.2 75.0-177.9 38.0 17.9 51.3 63 64 A M S S+ 0 0 156 4,-0.1 4,-0.3 5,-0.0 117,-0.1 -0.820 91.8 24.3-106.0 135.1 40.5 19.5 48.9 64 65 A G S > S- 0 0 5 -2,-0.4 4,-2.4 115,-0.3 3,-0.3 0.065 86.7 -77.0 99.7 153.5 43.6 21.4 49.8 65 66 A V H > S+ 0 0 6 1,-0.2 4,-2.3 90,-0.2 5,-0.2 0.878 124.3 51.9 -50.4 -46.4 46.1 21.8 52.6 66 67 A P H > S+ 0 0 90 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.900 111.7 45.9 -66.9 -35.4 43.8 23.9 54.8 67 68 A S H > S+ 0 0 32 -3,-0.3 4,-1.7 -4,-0.3 3,-0.3 0.965 115.3 43.7 -70.4 -51.5 40.9 21.5 54.6 68 69 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.888 109.2 59.9 -63.6 -34.2 42.8 18.3 55.2 69 70 A S H X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.900 102.8 52.3 -60.0 -39.6 44.8 20.1 58.0 70 71 A I H X S+ 0 0 64 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.962 114.7 40.7 -58.8 -52.3 41.5 20.7 59.9 71 72 A Y H X S+ 0 0 8 -4,-1.7 4,-2.9 -10,-0.3 5,-0.2 0.911 115.2 49.9 -67.6 -40.8 40.4 17.1 59.8 72 73 A V H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.922 109.8 51.3 -66.6 -42.4 43.9 15.6 60.5 73 74 A N H X S+ 0 0 43 -4,-2.4 4,-2.8 -5,-0.3 5,-0.4 0.938 114.2 44.3 -56.2 -46.6 44.4 17.9 63.5 74 75 A E H X>S+ 0 0 24 -4,-2.0 4,-2.3 -5,-0.2 5,-1.0 0.922 112.5 50.7 -69.3 -41.8 41.0 16.9 64.9 75 76 A L H X5S+ 0 0 0 -4,-2.9 6,-2.1 3,-0.2 4,-0.7 0.922 118.9 37.5 -60.3 -43.5 41.4 13.1 64.2 76 77 A I H X5S+ 0 0 17 -4,-2.5 4,-0.8 4,-0.2 -2,-0.2 0.958 126.0 34.6 -73.6 -50.5 44.9 13.0 65.9 77 78 A Q H <5S+ 0 0 112 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.827 131.1 26.5 -81.7 -34.5 44.3 15.4 68.8 78 79 A S H <5S+ 0 0 52 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.2 0.704 130.4 33.5-100.2 -26.6 40.6 14.7 69.6 79 80 A Y H < S- 0 0 38 81,-0.8 3,-1.2 80,-0.2 111,-0.1 -0.492 76.7-133.0 -85.2 146.7 55.9 13.0 33.6 95 96 A K T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.840 106.8 60.8 -63.1 -31.3 55.3 11.1 30.4 96 97 A D T 3 S+ 0 0 79 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.594 88.4 82.7 -79.9 -7.1 56.6 8.0 32.0 97 98 A V S < S- 0 0 0 -3,-1.2 2,-0.3 78,-0.1 -5,-0.1 -0.864 73.4-155.4 -94.5 127.8 53.9 8.1 34.7 98 99 A K > - 0 0 116 -2,-0.5 3,-2.3 1,-0.1 103,-0.2 -0.760 23.0 -96.4-109.4 148.2 50.7 6.6 33.3 99 100 A V T 3 S+ 0 0 10 -2,-0.3 103,-0.2 1,-0.3 3,-0.1 -0.347 113.3 30.0 -54.2 137.9 47.1 6.9 34.1 100 101 A R T 3 S+ 0 0 104 101,-2.9 46,-0.3 1,-0.4 -1,-0.3 0.264 88.1 131.2 81.4 -2.9 46.0 4.1 36.5 101 102 A D < - 0 0 11 -3,-2.3 100,-2.8 100,-0.1 2,-0.5 -0.429 56.6-130.8 -65.7 153.7 49.5 3.9 38.1 102 103 A V E -gH 147 200A 0 44,-2.9 46,-2.9 98,-0.2 2,-0.5 -0.941 20.6-160.4-107.2 123.6 49.5 3.9 41.9 103 104 A I E -gH 148 199A 0 96,-2.6 96,-2.9 -2,-0.5 2,-0.6 -0.936 7.4-161.5-108.3 129.4 51.9 6.4 43.4 104 105 A I E -gH 149 198A 0 44,-2.6 46,-1.9 -2,-0.5 2,-0.6 -0.947 24.4-133.0-105.5 115.8 53.1 6.0 47.0 105 106 A A E -g 150 0A 0 92,-2.0 92,-0.4 -2,-0.6 46,-0.2 -0.610 25.5-178.9 -78.6 116.1 54.5 9.4 48.1 106 107 A M E S- 0 0 100 44,-2.7 22,-2.5 -2,-0.6 2,-0.3 0.868 76.8 -21.7 -69.7 -40.2 57.8 9.2 49.9 107 108 A T E -gI 151 127A 36 43,-0.8 45,-1.1 20,-0.2 2,-0.3 -0.887 67.7-126.1-157.6 177.9 57.7 13.0 50.3 108 109 A A E -g 152 0A 6 18,-0.7 45,-0.2 -2,-0.3 2,-0.2 -0.997 2.1-148.7-146.1 137.0 56.0 16.1 48.8 109 110 A C E -g 153 0A 38 43,-3.0 45,-3.2 -2,-0.3 2,-0.3 -0.539 29.0-170.7 -83.4 165.6 57.0 19.4 47.4 110 111 A T E -g 154 0A 49 43,-0.2 45,-0.2 -2,-0.2 69,-0.0 -0.995 42.4-153.5-157.9 154.4 54.6 22.3 47.8 111 112 A D S S+ 0 0 62 43,-1.1 44,-0.1 -2,-0.3 2,-0.1 0.294 70.5 113.0-101.5 5.2 53.8 25.9 46.9 112 113 A S - 0 0 15 42,-0.5 3,-0.2 1,-0.1 4,-0.2 -0.417 64.1-145.1 -67.9 150.2 52.0 26.2 50.2 113 114 A N S > S+ 0 0 98 1,-0.1 4,-1.9 2,-0.1 5,-0.2 0.362 71.9 106.4 -89.5 2.8 53.4 28.6 52.8 114 115 A M H > S+ 0 0 43 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.882 85.4 34.9 -59.5 -40.7 52.3 26.3 55.7 115 116 A N H > S+ 0 0 9 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.796 110.1 61.3 -87.0 -25.7 55.8 25.0 56.5 116 117 A R H 4 S+ 0 0 97 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.847 105.1 51.2 -64.7 -31.0 57.7 28.2 55.8 117 118 A L H < S+ 0 0 134 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.6 42.5 -71.9 -35.1 55.6 29.9 58.5 118 119 A T H < S+ 0 0 91 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.835 128.2 28.2 -77.9 -34.7 56.6 27.1 61.0 119 120 A F S >< S- 0 0 75 -4,-2.6 3,-2.4 3,-0.2 -1,-0.2 -0.653 85.3-156.0-128.5 70.1 60.3 26.9 60.0 120 121 A P T 3 S+ 0 0 97 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.258 78.7 13.1 -56.5 131.6 61.2 30.3 58.8 121 122 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -5,-0.1 -5,-0.1 0.334 110.9 99.2 86.8 -5.2 64.2 30.2 56.4 122 123 A F < - 0 0 149 -3,-2.4 2,-0.7 -6,-0.2 -1,-0.2 -0.839 67.9-134.8-114.3 151.8 64.0 26.4 56.0 123 124 A D - 0 0 144 -2,-0.3 2,-0.5 -3,-0.1 -7,-0.0 -0.916 27.0-155.4 -94.8 113.9 62.7 24.0 53.4 124 125 A F - 0 0 72 -2,-0.7 -9,-0.1 -5,-0.1 -8,-0.1 -0.802 0.8-155.3 -90.6 125.7 60.9 21.3 55.3 125 126 A A - 0 0 72 -2,-0.5 2,-0.3 -18,-0.0 -16,-0.1 -0.896 13.1-142.3-101.9 106.0 60.6 18.0 53.5 126 127 A P - 0 0 2 0, 0.0 -18,-0.7 0, 0.0 2,-0.4 -0.559 20.2-154.9 -74.0 135.0 57.6 16.1 54.8 127 128 A A B -I 107 0A 66 58,-0.3 -20,-0.2 -2,-0.3 68,-0.2 -0.892 10.7-125.8-118.2 138.5 58.3 12.4 55.0 128 129 A A - 0 0 17 -22,-2.5 2,-0.6 -2,-0.4 68,-0.2 -0.322 41.0 -96.1 -63.7 156.3 56.1 9.3 54.9 129 130 A N > - 0 0 44 66,-2.6 4,-2.5 1,-0.2 5,-0.2 -0.675 35.5-147.0 -70.4 119.1 56.3 6.8 57.7 130 131 A F H > S+ 0 0 132 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.883 92.7 55.1 -61.6 -39.4 58.6 4.2 56.2 131 132 A D H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 112.5 43.1 -65.2 -39.0 57.1 1.2 57.8 132 133 A L H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 113.5 53.6 -65.7 -43.7 53.6 2.0 56.4 133 134 A L H X S+ 0 0 17 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.934 109.6 46.8 -55.3 -48.3 55.3 2.8 53.0 134 135 A K H X S+ 0 0 96 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.902 111.5 51.5 -63.4 -42.8 57.0 -0.5 52.9 135 136 A K H X S+ 0 0 62 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.942 113.6 44.1 -60.1 -46.5 53.8 -2.4 53.8 136 137 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.909 113.9 50.5 -65.8 -40.9 51.8 -0.6 51.1 137 138 A Y H X S+ 0 0 97 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.938 112.4 46.3 -61.5 -47.1 54.6 -1.1 48.6 138 139 A D H X S+ 0 0 72 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.922 114.3 48.3 -64.2 -41.6 54.9 -4.8 49.3 139 140 A A H X S+ 0 0 19 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.905 113.1 47.1 -66.0 -40.8 51.1 -5.2 49.2 140 141 A G H X>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 4,-0.8 0.881 110.4 52.0 -69.1 -36.1 50.7 -3.3 45.9 141 142 A T H ><5S+ 0 0 71 -4,-2.4 3,-1.0 -5,-0.2 -2,-0.2 0.951 112.6 45.8 -63.0 -45.5 53.6 -5.3 44.3 142 143 A E H 3<5S+ 0 0 167 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.824 107.2 58.8 -66.0 -32.2 51.9 -8.6 45.4 143 144 A K H 3<5S- 0 0 73 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.652 115.0-115.0 -74.6 -15.8 48.5 -7.3 44.1 144 145 A G T <<5 + 0 0 64 -3,-1.0 -3,-0.2 -4,-0.8 2,-0.2 0.660 65.3 143.0 90.4 18.9 49.9 -6.8 40.6 145 146 A L < - 0 0 22 -5,-1.9 2,-0.9 77,-0.1 -1,-0.3 -0.498 60.9-110.1 -83.7 158.1 49.6 -3.0 40.4 146 147 A H - 0 0 145 -46,-0.3 -44,-2.9 -2,-0.2 2,-0.5 -0.824 46.6-172.8 -81.5 109.3 52.0 -0.6 38.8 147 148 A V E -g 102 0A 25 -2,-0.9 2,-0.4 -46,-0.2 -44,-0.2 -0.935 12.9-171.9-113.7 128.5 53.4 1.0 41.9 148 149 A R E -g 103 0A 73 -46,-2.9 -44,-2.6 -2,-0.5 2,-0.5 -0.982 7.0-159.4-118.4 129.7 55.7 4.0 41.7 149 150 A V E +g 104 0A 53 -2,-0.4 2,-0.3 -46,-0.2 -44,-0.2 -0.944 45.2 83.1-110.1 124.4 57.4 5.3 44.9 150 151 A G E -g 105 0A 10 -46,-1.9 -44,-2.7 -2,-0.5 -43,-0.8 -0.928 69.7 -26.7 178.3-155.3 58.6 8.9 44.8 151 152 A N E -g 107 0A 44 22,-0.4 24,-3.0 -2,-0.3 25,-0.5 -0.633 42.7-174.4 -93.7 144.6 58.0 12.6 45.0 152 153 A V E -g 108 0A 0 -45,-1.1 -43,-3.0 -2,-0.3 2,-0.5 -0.877 24.7-119.5-128.1 164.2 54.7 14.5 44.5 153 154 A L E -gj 109 177A 6 23,-2.7 25,-2.8 -2,-0.3 2,-0.8 -0.947 14.8-154.7-102.3 124.6 53.7 18.1 44.4 154 155 A T E -gj 110 178A 0 -45,-3.2 -43,-1.1 -2,-0.5 -42,-0.5 -0.870 25.7-163.2 -92.4 107.2 51.1 19.3 46.9 155 156 A A - 0 0 0 23,-3.2 -90,-0.2 -2,-0.8 3,-0.1 -0.709 30.3-161.9 -95.9 143.2 49.6 22.3 45.1 156 157 A D S S+ 0 0 71 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.699 85.7 56.3 -82.0 -25.9 47.5 25.1 46.5 157 158 A V + 0 0 64 1,-0.2 3,-0.2 -93,-0.0 -1,-0.2 -0.927 52.3 180.0-119.5 117.2 46.3 26.0 43.1 158 159 A F S S+ 0 0 127 -2,-0.6 2,-0.9 1,-0.2 -1,-0.2 0.901 85.9 50.2 -71.0 -45.5 44.6 23.6 40.8 159 160 A Y S S- 0 0 202 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.816 78.1-178.7 -99.3 95.9 44.2 26.2 38.0 160 161 A R - 0 0 61 -2,-0.9 3,-0.1 -3,-0.2 -2,-0.0 -0.769 29.0-138.7-101.2 137.7 47.6 27.6 37.6 161 162 A E S S+ 0 0 199 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.901 92.9 22.8 -64.7 -40.7 48.2 30.4 35.1 162 163 A S - 0 0 59 1,-0.1 3,-0.3 -3,-0.1 -1,-0.2 -0.995 59.8-162.3-124.5 134.0 51.5 29.0 33.9 163 164 A M > + 0 0 59 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.283 61.9 111.3 -93.7 15.1 52.5 25.3 34.3 164 165 A D H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 79.4 45.0 -54.9 -44.8 56.2 26.2 33.8 165 166 A M H > S+ 0 0 110 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.852 110.8 53.3 -72.1 -33.2 57.2 25.4 37.3 166 167 A V H > S+ 0 0 2 2,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.937 109.9 48.8 -64.9 -43.3 55.2 22.2 37.4 167 168 A K H X S+ 0 0 36 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.920 110.5 51.5 -58.3 -44.5 57.0 21.1 34.2 168 169 A K H X S+ 0 0 112 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.924 107.1 52.2 -61.7 -43.6 60.3 22.0 35.8 169 170 A L H ><>S+ 0 0 44 -4,-2.5 5,-2.3 1,-0.2 3,-1.2 0.905 106.5 54.8 -58.1 -39.4 59.5 19.9 38.9 170 171 A G H ><5S+ 0 0 10 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.877 102.2 56.6 -60.2 -36.7 58.7 17.0 36.5 171 172 A D H 3<5S+ 0 0 137 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.620 104.8 54.0 -70.1 -12.8 62.2 17.5 35.1 172 173 A Y T <<5S- 0 0 180 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.006 130.4 -94.2-108.3 22.8 63.5 17.0 38.7 173 174 A G T < 5S+ 0 0 37 -3,-1.7 -22,-0.4 1,-0.3 -3,-0.2 0.406 70.8 151.9 90.0 -0.7 61.6 13.7 39.1 174 175 A V < - 0 0 2 -5,-2.3 -1,-0.3 -6,-0.1 -80,-0.2 -0.494 29.9-158.8 -69.5 131.1 58.4 14.8 40.7 175 176 A L - 0 0 8 -24,-3.0 -82,-2.3 -2,-0.2 -81,-0.8 0.849 52.7 -14.9 -84.2 -37.3 55.7 12.3 39.6 176 177 A A E -F 92 0A 0 -25,-0.5 -23,-2.7 -84,-0.3 2,-0.4 -0.969 57.5-109.6-165.4 162.4 52.4 13.9 40.0 177 178 A V E +Fj 91 153A 23 -86,-2.6 -86,-2.3 -2,-0.3 2,-0.2 -0.891 38.9 147.3-109.2 138.0 50.3 16.8 41.4 178 179 A E E - j 0 154A 8 -25,-2.8 -23,-3.2 -2,-0.4 -88,-0.1 -0.780 41.6-123.4-150.4-167.6 47.7 16.5 44.2 179 180 A M S S+ 0 0 33 -25,-0.3 -115,-0.3 -2,-0.2 -25,-0.1 0.170 86.4 40.7-139.5 23.3 46.6 18.9 47.0 180 181 A E S >> S+ 0 0 9 -116,-0.1 4,-1.7 -117,-0.1 3,-0.7 0.614 75.0 91.5-142.5 -25.1 46.9 17.3 50.5 181 182 A T H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.864 83.2 58.0 -62.7 -41.4 50.1 15.3 51.2 182 183 A T H 3> S+ 0 0 0 -73,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.911 110.6 45.9 -51.3 -44.8 52.4 17.9 52.6 183 184 A A H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 5,-0.3 0.937 112.7 48.2 -68.3 -45.4 49.8 18.7 55.3 184 185 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.942 116.0 43.6 -58.8 -48.7 49.1 15.0 56.2 185 186 A Y H X S+ 0 0 2 -4,-2.8 4,-1.9 2,-0.2 -58,-0.3 0.875 114.7 49.0 -68.7 -37.9 52.8 14.1 56.5 186 187 A T H X S+ 0 0 14 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.944 114.6 43.5 -68.0 -46.5 53.8 17.3 58.4 187 188 A L H X S+ 0 0 16 -4,-2.5 4,-2.0 -5,-0.2 6,-0.2 0.886 111.5 53.4 -69.9 -37.2 51.1 17.0 61.0 188 189 A A H X>S+ 0 0 2 -4,-2.3 5,-2.5 -5,-0.3 4,-0.6 0.937 111.7 46.8 -61.6 -41.7 51.5 13.2 61.4 189 190 A A H ><5S+ 0 0 62 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.918 108.6 55.7 -64.3 -43.5 55.2 13.9 62.1 190 191 A K H 3<5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.882 115.6 37.3 -52.1 -43.1 54.4 16.7 64.5 191 192 A Y H 3<5S- 0 0 70 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.370 112.2-114.4 -99.0 4.4 52.2 14.4 66.6 192 193 A G T <<5S+ 0 0 66 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.2 0.778 72.3 126.1 72.2 29.2 54.3 11.3 66.3 193 194 A V < - 0 0 21 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.566 61.3 -96.6-116.3 178.3 51.8 9.2 64.4 194 195 A N E +e 83 0A 53 -112,-2.6 -110,-2.8 -2,-0.2 2,-0.3 -0.843 40.1 173.5-110.2 126.1 52.1 7.3 61.1 195 196 A A E +e 84 0A 3 -2,-0.5 -66,-2.6 -112,-0.2 2,-0.3 -0.942 8.4 168.0-132.5 154.5 51.0 8.6 57.7 196 197 A L E -e 85 0A 0 -112,-1.9 -110,-2.5 -2,-0.3 2,-0.5 -0.977 21.6-143.4-155.1 150.4 51.1 7.6 54.1 197 198 A S E -e 86 0A 0 -92,-0.4 -92,-2.0 -2,-0.3 2,-0.5 -0.991 13.3-174.6-119.8 125.2 49.5 8.8 50.8 198 199 A V E -eH 87 104A 0 -112,-2.8 -110,-1.7 -2,-0.5 2,-0.3 -0.990 16.8-172.7-120.4 119.9 48.6 6.2 48.2 199 200 A L E -eH 88 103A 0 -96,-2.9 -96,-2.6 -2,-0.5 2,-0.5 -0.877 23.0-143.4-123.8 142.5 47.3 7.8 45.0 200 201 A T E -eH 89 102A 0 -112,-2.5 -110,-1.8 -2,-0.3 2,-0.7 -0.916 27.3-125.7-100.4 131.5 45.8 6.7 41.7 201 202 A V E +e 90 0A 0 -100,-2.8 -101,-2.9 -2,-0.5 -110,-0.2 -0.658 38.5 167.0 -74.5 114.8 46.9 8.6 38.7 202 203 A S E + 0 0 10 -112,-2.4 9,-0.8 -2,-0.7 2,-0.3 0.567 59.1 16.2-107.3 -12.4 43.5 9.8 37.2 203 204 A N E -eK 91 210A 49 -113,-1.0 -111,-2.7 7,-0.2 2,-0.5 -0.969 63.6-129.7-157.1 158.6 44.7 12.4 34.7 204 205 A H E > -e 92 0A 11 5,-2.3 4,-1.9 -2,-0.3 5,-0.4 -0.984 19.6-148.0-121.2 120.6 47.8 13.5 32.8 205 206 A I T 4 S+ 0 0 49 -113,-2.2 -112,-0.1 -2,-0.5 -1,-0.1 0.670 90.5 30.5 -66.4 -27.5 48.4 17.2 33.1 206 207 A F T 4 S+ 0 0 102 -114,-0.4 -1,-0.2 -113,-0.1 -113,-0.1 0.697 120.5 47.8-105.8 -24.5 50.0 18.0 29.8 207 208 A T T 4 S- 0 0 95 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.724 99.4-130.1 -86.8 -24.3 48.5 15.3 27.5 208 209 A G < + 0 0 62 -4,-1.9 -3,-0.1 1,-0.3 2,-0.1 0.490 50.2 154.9 88.4 3.8 45.0 16.0 28.7 209 210 A E + 0 0 82 -5,-0.4 -5,-2.3 -6,-0.0 2,-0.3 -0.428 16.8 174.3 -64.2 136.5 44.1 12.4 29.4 210 211 A E B -K 203 0A 71 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.966 15.6-154.8-143.9 156.7 41.3 12.1 32.0 211 212 A T - 0 0 23 -9,-0.8 2,-0.2 -2,-0.3 -9,-0.0 -0.955 13.1-132.6-133.7 153.9 39.2 9.4 33.6 212 213 A T > - 0 0 75 -2,-0.3 4,-0.5 1,-0.1 3,-0.2 -0.586 39.5-105.5 -88.8 164.7 35.8 9.0 35.3 213 214 A S T >4 S+ 0 0 56 1,-0.2 3,-1.4 -2,-0.2 4,-0.3 0.912 123.8 53.1 -57.8 -41.5 35.6 7.0 38.5 214 215 A E G >4 S+ 0 0 68 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.869 103.3 57.8 -61.3 -36.9 34.1 4.1 36.6 215 216 A E G 34 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.535 119.1 29.7 -73.2 -8.5 37.0 4.2 34.1 216 217 A R G S+ 0 0 79 -3,-1.0 4,-2.6 -4,-0.3 5,-0.2 0.832 74.8 49.1 -65.0 -38.7 37.3 1.7 39.3 218 219 A T H > S+ 0 0 99 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.930 116.0 43.1 -69.0 -43.4 39.1 -1.7 39.2 219 220 A T H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.933 114.7 51.0 -63.9 -47.3 42.5 -0.0 39.8 220 221 A F H X S+ 0 0 8 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.912 109.0 50.6 -58.0 -45.7 41.0 2.2 42.5 221 222 A N H X S+ 0 0 38 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.926 110.6 49.0 -59.2 -45.7 39.5 -0.8 44.3 222 223 A E H X S+ 0 0 54 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.893 110.5 51.7 -61.3 -38.2 42.8 -2.6 44.3 223 224 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.914 108.0 50.8 -64.4 -43.1 44.5 0.5 45.6 224 225 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.911 107.4 55.9 -59.5 -39.5 41.9 0.7 48.5 225 226 A E H X S+ 0 0 50 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.913 108.8 45.0 -61.0 -42.7 42.6 -2.9 49.2 226 227 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.903 112.0 52.4 -71.0 -36.5 46.3 -2.3 49.7 227 228 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.913 114.2 43.0 -62.1 -42.5 45.7 0.8 51.8 228 229 A L H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.912 111.9 54.5 -63.5 -46.2 43.4 -1.2 54.0 229 230 A D H < S+ 0 0 27 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.810 110.5 45.3 -61.5 -36.7 45.8 -4.1 54.1 230 231 A A H >< S+ 0 0 1 -4,-2.2 3,-1.2 2,-0.2 -1,-0.2 0.910 112.4 53.8 -68.5 -43.4 48.7 -1.9 55.2 231 232 A A H 3< S+ 0 0 10 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.890 104.1 52.9 -59.7 -44.3 46.4 -0.3 57.8 232 233 A I T 3< 0 0 65 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.538 360.0 360.0 -76.3 -4.2 45.3 -3.6 59.4 233 234 A Q < 0 0 139 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.305 360.0 360.0 -87.2 360.0 48.9 -4.6 59.9