==== 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 3UAZ . 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) . 10946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 73.8 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 . 16 6.9 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 . 69 29.6 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 1 0 0 0 0 1 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 54 0, 0.0 3,-0.5 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0-179.7 35.7 18.3 67.5 2 3 A V + 0 0 119 1,-0.2 3,-0.1 3,-0.0 0, 0.0 0.895 360.0 22.6 -59.8 -40.8 34.9 21.5 65.7 3 4 A H S S+ 0 0 35 67,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.356 118.9 62.1-109.5 3.4 34.4 19.8 62.3 4 5 A I - 0 0 0 -3,-0.5 -1,-0.1 2,-0.1 35,-0.1 -0.986 58.1-163.0-134.0 123.9 33.7 16.2 63.3 5 6 A E + 0 0 111 -2,-0.4 34,-0.1 33,-0.1 -1,-0.1 0.350 47.7 126.6 -91.9 10.6 30.6 15.2 65.4 6 7 A A - 0 0 9 1,-0.1 2,-0.2 3,-0.0 -2,-0.1 -0.262 58.8-119.9 -68.5 148.1 31.8 11.8 66.4 7 8 A K > - 0 0 75 1,-0.1 3,-2.1 31,-0.0 4,-0.3 -0.515 46.0 -78.3 -77.1 155.3 32.0 10.7 70.0 8 9 A Q T 3 S+ 0 0 141 1,-0.3 -1,-0.1 -2,-0.2 71,-0.1 -0.304 120.2 21.3 -49.0 128.4 35.2 9.6 71.6 9 10 A G T 3 S+ 0 0 74 2,-0.2 -1,-0.3 70,-0.1 70,-0.1 0.278 92.5 103.0 90.3 -9.0 36.1 6.1 70.4 10 11 A E S < S+ 0 0 87 -3,-2.1 2,-0.5 2,-0.1 -2,-0.1 0.682 70.6 68.7 -78.0 -17.4 33.9 6.1 67.3 11 12 A I S S- 0 0 9 -4,-0.3 -2,-0.2 68,-0.1 37,-0.1 -0.895 85.2-126.7-107.4 129.3 36.9 6.6 65.0 12 13 A A - 0 0 13 -2,-0.5 44,-0.1 2,-0.2 45,-0.1 -0.250 19.1-115.6 -71.3 160.5 39.4 3.8 64.6 13 14 A E S S+ 0 0 126 42,-0.2 69,-2.7 68,-0.2 70,-2.4 0.716 104.2 57.9 -70.2 -22.3 43.1 4.3 65.1 14 15 A S E S+a 83 0A 20 41,-0.4 43,-2.5 68,-0.2 2,-0.4 -0.943 73.6 176.7-109.9 133.3 43.8 3.5 61.4 15 16 A I E -ab 84 57A 1 68,-2.6 70,-2.7 -2,-0.4 2,-0.4 -0.996 27.0-142.3-144.2 139.6 42.1 5.7 58.8 16 17 A L E -ab 85 58A 1 41,-2.5 43,-2.6 -2,-0.4 70,-0.2 -0.822 17.8-156.4 -96.3 141.5 41.9 6.2 55.1 17 18 A L E +a 86 0A 0 68,-2.6 70,-0.8 -2,-0.4 43,-0.2 -0.715 15.0 175.1-127.4 76.9 41.7 9.8 53.9 18 19 A P - 0 0 3 0, 0.0 43,-1.4 0, 0.0 44,-0.3 -0.485 32.8-133.3 -68.8 152.8 40.1 10.3 50.4 19 20 A G S S+ 0 0 15 68,-0.4 43,-2.0 41,-0.2 69,-0.1 0.867 91.0 67.7 -72.5 -35.3 39.6 13.9 49.4 20 21 A D S >> S- 0 0 78 1,-0.1 4,-1.6 40,-0.1 3,-1.0 -0.743 71.0-152.5 -92.0 119.6 36.1 13.3 48.2 21 22 A P H 3> S+ 0 0 28 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.811 98.6 59.2 -61.9 -27.8 33.5 12.4 50.9 22 23 A L H 3> S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.787 102.4 53.6 -70.3 -25.9 31.5 10.5 48.4 23 24 A R H <> S+ 0 0 43 -3,-1.0 4,-2.9 2,-0.2 -1,-0.2 0.851 103.9 55.5 -72.7 -32.8 34.6 8.3 47.8 24 25 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.939 109.0 47.8 -59.5 -44.0 34.7 7.7 51.6 25 26 A K H X S+ 0 0 82 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.933 111.8 49.5 -60.5 -46.2 31.1 6.5 51.2 26 27 A Y H X S+ 0 0 56 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.920 111.6 48.8 -59.2 -45.3 32.1 4.3 48.3 27 28 A I H X>S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 5,-0.6 0.941 113.1 46.5 -61.8 -47.6 35.0 2.8 50.2 28 29 A A H X5S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.943 117.0 43.7 -60.0 -46.9 33.0 2.0 53.3 29 30 A E H <5S+ 0 0 125 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.852 119.9 41.7 -68.3 -34.6 30.1 0.5 51.3 30 31 A T H <5S+ 0 0 65 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.864 130.0 17.2 -83.7 -36.5 32.5 -1.5 49.0 31 32 A F H <5S+ 0 0 26 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.660 105.7 75.4-114.3 -22.3 35.1 -2.8 51.4 32 33 A L << - 0 0 11 -4,-1.6 2,-0.3 -5,-0.6 3,-0.2 -0.662 52.6-153.9-106.9 155.2 33.9 -2.6 55.0 33 34 A E E S+C 50 0A 135 17,-2.6 17,-2.5 -2,-0.3 -3,-0.0 -0.775 76.2 25.1-112.8 162.9 31.5 -4.6 57.2 34 35 A D E S- 0 0 130 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.918 87.0-173.8 53.2 50.2 29.5 -3.5 60.2 35 36 A V E - 0 0 58 -3,-0.2 2,-0.4 14,-0.1 14,-0.2 -0.559 18.7-179.0 -87.1 138.5 29.7 0.1 59.0 36 37 A T E -C 48 0A 82 12,-2.6 12,-2.5 -2,-0.3 2,-0.6 -0.999 25.0-132.9-132.9 140.3 28.5 3.2 60.9 37 38 A C E +C 47 0A 57 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.819 24.4 177.1 -90.8 117.3 28.6 6.8 59.7 38 39 A Y E + 0 0 13 8,-1.8 2,-0.3 -2,-0.6 9,-0.2 0.503 60.4 41.5-100.3 -8.5 30.0 9.0 62.5 39 40 A N E +C 46 0A 0 7,-1.3 7,-1.3 -34,-0.1 -1,-0.2 -0.977 33.4 152.8-148.9 135.4 30.1 12.3 60.7 40 41 A N > + 0 0 95 -2,-0.3 3,-2.4 5,-0.2 5,-0.2 0.214 36.8 136.0-129.8 1.6 27.9 14.5 58.4 41 42 A V G > S- 0 0 43 1,-0.3 3,-2.3 3,-0.2 -38,-0.0 -0.383 88.1 -3.8 -58.2 130.6 29.2 17.9 59.4 42 43 A R G 3 S- 0 0 199 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.636 121.9 -77.4 56.9 18.9 29.7 20.0 56.2 43 44 A G G < S+ 0 0 41 -3,-2.4 2,-1.9 1,-0.2 -1,-0.3 0.597 94.0 143.2 70.4 11.2 28.8 16.9 54.3 44 45 A M < - 0 0 21 -3,-2.3 -3,-0.2 -41,-0.1 -1,-0.2 -0.523 43.2-150.5 -90.8 76.9 32.3 15.6 55.1 45 46 A L - 0 0 20 -2,-1.9 15,-2.4 -5,-0.2 2,-0.3 -0.087 19.3-177.9 -55.3 138.7 31.4 12.0 55.5 46 47 A G E -CD 39 59A 0 -7,-1.3 -8,-1.8 13,-0.2 -7,-1.3 -0.998 2.8-175.2-137.6 142.3 33.3 9.7 57.8 47 48 A F E -CD 37 58A 14 11,-2.6 11,-2.3 -2,-0.3 2,-0.4 -0.937 14.3-156.6-135.6 151.7 32.7 6.0 58.5 48 49 A T E +CD 36 57A 3 -12,-2.5 -12,-2.6 -2,-0.3 2,-0.2 -0.995 32.6 131.6-127.8 139.9 34.0 3.2 60.7 49 50 A G E - D 0 56A 0 7,-2.3 7,-2.6 -2,-0.4 2,-0.4 -0.845 49.5 -82.6-158.9-163.9 33.7 -0.5 59.9 50 51 A T E -CD 33 55A 18 -17,-2.5 -17,-2.6 -2,-0.2 2,-0.4 -0.936 24.6-169.2-123.2 140.7 35.7 -3.7 59.7 51 52 A Y E > S- D 0 54A 23 3,-2.2 3,-1.7 -2,-0.4 -19,-0.1 -0.974 83.1 -18.3-129.7 118.6 38.0 -5.1 57.0 52 53 A K T 3 S- 0 0 153 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.850 131.9 -52.2 49.8 35.6 39.1 -8.7 57.3 53 54 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -20,-0.0 -1,-0.3 0.222 114.1 109.4 94.0 -13.7 38.1 -8.4 60.9 54 55 A K E < S- D 0 51A 38 -3,-1.7 -3,-2.2 1,-0.0 2,-0.3 -0.801 70.8-115.0 -98.8 136.6 40.0 -5.2 62.0 55 56 A R E + D 0 50A 123 -2,-0.4 -41,-0.4 -5,-0.2 2,-0.3 -0.540 44.4 165.4 -72.1 129.2 38.3 -1.8 62.8 56 57 A V E - D 0 49A 1 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.2 -0.993 21.6-145.8-145.0 145.4 39.2 0.9 60.3 57 58 A S E -bD 15 48A 2 -43,-2.5 -41,-2.5 -2,-0.3 2,-0.3 -0.692 2.4-157.8-109.2 166.7 37.8 4.3 59.5 58 59 A V E +bD 16 47A 1 -11,-2.3 -11,-2.6 -2,-0.2 2,-0.4 -0.974 15.2 179.1-146.6 127.9 37.5 6.4 56.3 59 60 A Q E - D 0 46A 0 -43,-2.6 -13,-0.2 -2,-0.3 -14,-0.1 -0.991 26.2-127.6-138.2 121.3 37.1 10.2 56.3 60 61 A G - 0 0 0 -15,-2.4 -41,-0.2 -2,-0.4 -40,-0.1 -0.396 19.4-171.3 -62.9 149.5 36.8 12.7 53.5 61 62 A T - 0 0 0 -43,-1.4 10,-0.3 1,-0.2 -42,-0.2 0.557 26.5-132.4-114.5 -15.5 39.3 15.6 53.8 62 63 A G - 0 0 10 -43,-2.0 2,-0.4 -44,-0.3 -1,-0.2 -0.192 42.3 -54.7 74.3-177.8 38.2 18.1 51.2 63 64 A M S S+ 0 0 157 4,-0.1 4,-0.3 5,-0.0 117,-0.1 -0.822 92.0 22.5-106.6 132.6 40.7 19.6 48.7 64 65 A G S > S- 0 0 5 -2,-0.4 4,-2.4 115,-0.2 3,-0.3 0.049 86.9 -75.8 101.5 152.9 43.8 21.5 49.6 65 66 A V H > S+ 0 0 6 1,-0.2 4,-2.3 90,-0.2 5,-0.2 0.883 124.8 51.5 -48.6 -46.4 46.3 21.9 52.4 66 67 A P H > S+ 0 0 90 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.898 112.0 45.9 -66.3 -37.3 44.0 24.0 54.6 67 68 A S H > S+ 0 0 31 -3,-0.3 4,-1.6 -4,-0.3 3,-0.3 0.965 115.5 43.4 -69.2 -52.2 41.1 21.6 54.4 68 69 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.885 108.8 60.6 -63.7 -32.3 43.0 18.4 55.1 69 70 A S H X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.904 102.5 52.3 -61.0 -39.4 45.0 20.2 57.9 70 71 A I H X S+ 0 0 62 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.965 114.5 40.9 -58.7 -51.9 41.7 20.8 59.8 71 72 A Y H X S+ 0 0 8 -4,-1.6 4,-2.9 -10,-0.3 5,-0.2 0.911 115.0 49.9 -68.2 -41.1 40.7 17.2 59.6 72 73 A V H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.926 110.0 50.9 -66.4 -43.0 44.1 15.7 60.3 73 74 A N H X S+ 0 0 43 -4,-2.4 4,-2.8 -5,-0.3 5,-0.4 0.937 114.3 44.3 -56.2 -46.8 44.6 17.9 63.4 74 75 A E H X>S+ 0 0 24 -4,-2.0 4,-2.4 -5,-0.2 5,-1.0 0.923 112.7 50.8 -69.0 -41.8 41.3 16.9 64.8 75 76 A L H X5S+ 0 0 0 -4,-2.9 6,-2.0 3,-0.2 4,-0.7 0.922 119.0 37.2 -60.1 -45.0 41.7 13.2 64.0 76 77 A I H X5S+ 0 0 18 -4,-2.5 4,-0.8 4,-0.2 -2,-0.2 0.958 126.0 34.9 -72.1 -50.3 45.1 13.1 65.7 77 78 A Q H <5S+ 0 0 112 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.816 130.9 26.6 -82.0 -33.4 44.5 15.5 68.6 78 79 A S H <5S+ 0 0 52 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.2 0.705 130.3 33.8-101.6 -25.7 40.8 14.8 69.5 79 80 A Y H < S- 0 0 36 81,-0.5 3,-0.9 3,-0.1 111,-0.1 -0.994 72.4-140.3-131.0 141.4 56.2 13.0 33.6 95 96 A K T 3 S+ 0 0 74 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.845 106.3 59.9 -65.2 -31.1 55.7 11.2 30.3 96 97 A D T 3 S+ 0 0 111 2,-0.1 2,-0.5 -3,-0.1 -1,-0.2 0.670 90.4 81.3 -73.9 -19.5 57.2 8.1 31.9 97 98 A V S < S- 0 0 0 -3,-0.9 2,-0.3 78,-0.1 -3,-0.1 -0.795 74.5-153.5 -86.8 131.9 54.4 8.2 34.5 98 99 A K > - 0 0 110 -2,-0.5 3,-2.3 1,-0.1 103,-0.2 -0.814 22.1 -99.7-111.7 145.9 51.2 6.6 33.2 99 100 A V T 3 S+ 0 0 7 -2,-0.3 103,-0.2 1,-0.3 3,-0.1 -0.352 112.9 31.3 -54.1 139.0 47.5 7.0 33.9 100 101 A R T 3 S+ 0 0 115 101,-2.8 46,-0.3 1,-0.4 -1,-0.3 0.292 88.7 129.8 78.3 -0.5 46.5 4.2 36.2 101 102 A D < - 0 0 12 -3,-2.3 100,-2.8 100,-0.1 2,-0.5 -0.444 57.2-131.0 -67.2 154.4 49.9 4.0 37.9 102 103 A V E -gH 147 200A 0 44,-2.8 46,-2.8 98,-0.2 2,-0.5 -0.955 20.1-158.8-108.4 124.9 49.8 4.0 41.6 103 104 A I E -gH 148 199A 0 96,-3.0 96,-3.0 -2,-0.5 2,-0.6 -0.907 7.8-161.9-105.7 131.9 52.2 6.5 43.2 104 105 A I E -gH 149 198A 0 44,-2.7 46,-1.8 -2,-0.5 2,-0.6 -0.968 25.0-132.9-108.6 116.2 53.4 6.1 46.8 105 106 A A E -g 150 0A 0 92,-2.0 92,-0.4 -2,-0.6 46,-0.2 -0.604 25.4-178.6 -78.4 116.0 54.7 9.5 47.9 106 107 A M E S- 0 0 99 44,-2.7 22,-2.3 -2,-0.6 2,-0.3 0.865 76.8 -22.4 -68.5 -41.1 58.1 9.4 49.7 107 108 A T E -gI 151 127A 35 43,-0.8 45,-1.1 20,-0.2 2,-0.3 -0.885 67.7-125.8-159.0 177.0 58.0 13.2 50.2 108 109 A A E -g 152 0A 6 18,-0.7 45,-0.2 -2,-0.3 2,-0.2 -0.997 2.4-148.5-144.4 138.5 56.3 16.2 48.6 109 110 A C E -g 153 0A 38 43,-3.0 45,-3.3 -2,-0.3 2,-0.3 -0.548 29.2-170.6 -85.2 164.7 57.3 19.6 47.2 110 111 A T E -g 154 0A 50 43,-0.2 45,-0.2 -2,-0.2 69,-0.0 -0.994 42.6-152.8-156.8 154.2 54.9 22.5 47.6 111 112 A D S S+ 0 0 61 43,-1.1 44,-0.1 -2,-0.3 2,-0.1 0.299 70.8 113.1-100.4 6.4 54.0 26.0 46.7 112 113 A S - 0 0 16 42,-0.5 3,-0.2 1,-0.1 4,-0.2 -0.428 64.0-145.2 -68.7 150.7 52.2 26.3 50.1 113 114 A N S > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.355 71.9 106.4 -89.5 2.5 53.6 28.7 52.7 114 115 A M H > S+ 0 0 41 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.876 85.7 34.0 -59.8 -39.7 52.6 26.4 55.5 115 116 A N H > S+ 0 0 10 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.785 110.4 61.6 -88.8 -25.6 56.1 25.2 56.4 116 117 A R H 4 S+ 0 0 112 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.866 105.7 50.5 -65.4 -32.4 58.0 28.4 55.6 117 118 A L H < S+ 0 0 133 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.4 43.1 -68.1 -39.6 55.9 30.0 58.3 118 119 A T H < S+ 0 0 91 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.834 128.5 27.2 -75.1 -35.7 56.8 27.2 60.8 119 120 A F S >< S- 0 0 76 -4,-2.6 3,-2.4 3,-0.2 -1,-0.3 -0.630 85.4-156.7-128.0 70.9 60.5 27.0 59.8 120 121 A P T 3 S+ 0 0 98 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.274 78.4 14.5 -60.1 131.9 61.5 30.5 58.6 121 122 A G T 3 S+ 0 0 64 1,-0.3 2,-0.3 -5,-0.1 -5,-0.1 0.296 110.9 97.8 88.9 -5.6 64.5 30.3 56.3 122 123 A F < - 0 0 149 -3,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.833 68.7-133.7-115.1 153.1 64.3 26.5 55.8 123 124 A D - 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0 0 0 23,-3.2 -90,-0.2 -2,-0.8 3,-0.1 -0.733 30.9-160.4 -99.3 142.5 49.8 22.4 45.0 156 157 A D S S+ 0 0 73 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.692 85.7 58.1 -80.6 -26.6 47.7 25.3 46.4 157 158 A V - 0 0 63 1,-0.2 3,-0.2 -93,-0.0 -1,-0.1 -0.925 51.4-179.4-116.2 122.7 46.5 26.1 42.9 158 159 A F S S+ 0 0 148 -2,-0.6 2,-0.8 1,-0.2 -1,-0.2 0.873 87.5 50.1 -74.7 -42.5 44.7 23.6 40.6 159 160 A Y S S- 0 0 201 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.867 77.5-178.5-101.9 98.8 44.5 26.3 37.9 160 161 A R - 0 0 70 -2,-0.8 3,-0.1 -3,-0.2 -2,-0.0 -0.850 24.5-146.0-104.0 133.6 47.9 27.7 37.5 161 162 A E S S+ 0 0 195 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.903 87.8 31.8 -67.3 -43.3 48.5 30.5 34.9 162 163 A S - 0 0 60 1,-0.1 3,-0.3 0, 0.0 4,-0.2 -0.968 60.7-165.3-115.6 135.1 52.0 29.5 33.9 163 164 A M > + 0 0 56 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 0.360 60.1 108.2 -95.7 6.9 53.1 25.8 33.9 164 165 A D H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 81.5 43.4 -54.6 -45.6 56.8 26.6 33.7 165 166 A M H > S+ 0 0 114 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.860 111.6 53.0 -74.2 -31.9 57.6 25.6 37.3 166 167 A V H > S+ 0 0 3 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.939 110.8 48.3 -65.7 -43.8 55.5 22.4 37.1 167 168 A K H X S+ 0 0 102 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.926 111.3 51.0 -58.2 -44.2 57.3 21.4 34.0 168 169 A K H X S+ 0 0 106 -4,-2.2 4,-0.8 -5,-0.3 -2,-0.2 0.921 107.4 52.0 -63.1 -43.4 60.7 22.2 35.7 169 170 A L H ><>S+ 0 0 50 -4,-2.5 5,-2.3 1,-0.2 3,-1.0 0.914 107.1 54.0 -58.3 -40.6 59.7 20.1 38.7 170 171 A G H ><5S+ 0 0 7 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.870 103.1 56.2 -58.6 -36.6 58.9 17.2 36.3 171 172 A D H 3<5S+ 0 0 139 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.647 104.5 54.5 -70.7 -16.5 62.4 17.6 34.9 172 173 A Y T <<5S- 0 0 185 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.036 129.6 -95.3-103.1 21.1 63.7 17.1 38.5 173 174 A G T < 5S+ 0 0 37 -3,-1.6 -22,-0.4 1,-0.3 -3,-0.2 0.429 70.2 152.7 89.8 -0.7 61.8 13.8 38.8 174 175 A V < - 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 -22,-0.2 -0.498 30.5-157.4 -66.8 131.3 58.6 15.0 40.5 175 176 A L - 0 0 9 -24,-3.0 -82,-2.3 -2,-0.2 -81,-0.5 0.848 52.0 -14.7 -85.5 -38.5 56.0 12.5 39.4 176 177 A A E -F 92 0A 0 -25,-0.5 -23,-2.7 -84,-0.3 2,-0.4 -0.970 57.4-110.3-163.4 163.7 52.6 14.1 39.8 177 178 A V E +Fj 91 153A 24 -86,-2.5 -86,-2.3 -2,-0.3 2,-0.2 -0.904 39.0 147.2-112.2 137.6 50.6 16.9 41.2 178 179 A E E - j 0 154A 8 -25,-2.9 -23,-3.2 -2,-0.4 -88,-0.1 -0.763 42.1-122.2-150.4-168.5 48.0 16.7 44.0 179 180 A M S S+ 0 0 33 -25,-0.3 -115,-0.2 -2,-0.2 -25,-0.1 0.185 86.6 40.3-137.6 22.6 46.8 19.0 46.8 180 181 A E S >> S+ 0 0 10 -116,-0.1 4,-1.7 -117,-0.1 3,-0.6 0.612 75.0 91.3-142.8 -26.5 47.2 17.4 50.3 181 182 A T H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.853 83.3 58.2 -61.4 -43.0 50.3 15.4 51.0 182 183 A T H 3> S+ 0 0 0 -73,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.917 110.8 45.4 -49.3 -45.6 52.6 18.1 52.4 183 184 A A H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 5,-0.3 0.943 113.0 48.0 -69.1 -45.0 50.0 18.8 55.1 184 185 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.941 115.9 43.8 -58.6 -49.3 49.3 15.2 56.0 185 186 A Y H X S+ 0 0 2 -4,-2.8 4,-1.8 2,-0.2 -58,-0.3 0.876 114.7 49.0 -68.2 -37.4 53.0 14.3 56.3 186 187 A T H X S+ 0 0 15 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.945 114.3 44.1 -68.1 -47.3 54.0 17.4 58.2 187 188 A L H X S+ 0 0 16 -4,-2.5 4,-1.9 -5,-0.2 6,-0.2 0.890 111.3 53.0 -68.4 -39.5 51.3 17.1 60.8 188 189 A A H X>S+ 0 0 2 -4,-2.3 5,-2.5 -5,-0.3 4,-0.6 0.930 111.4 47.4 -60.3 -42.7 51.8 13.4 61.3 189 190 A A H ><5S+ 0 0 62 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.912 108.1 55.8 -63.5 -43.8 55.5 14.0 61.9 190 191 A K H 3<5S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.883 115.6 37.5 -51.0 -43.7 54.6 16.9 64.3 191 192 A Y H 3<5S- 0 0 69 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.374 112.1-114.7 -98.6 4.6 52.5 14.6 66.4 192 193 A G T <<5S+ 0 0 67 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.2 0.780 72.4 125.1 70.5 29.4 54.6 11.4 66.2 193 194 A V < - 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0 0 21 -9,-0.9 2,-0.2 -2,-0.3 -9,-0.0 -0.973 13.5-132.3-137.7 151.2 39.8 9.3 33.1 212 213 A T > - 0 0 79 -2,-0.3 4,-0.5 1,-0.1 3,-0.2 -0.526 42.9 -99.3 -86.1 167.4 36.4 9.2 34.8 213 214 A S H >> S+ 0 0 62 1,-0.2 3,-1.7 2,-0.2 4,-0.5 0.935 126.1 51.6 -50.3 -49.8 36.0 7.3 38.1 214 215 A E H >4 S+ 0 0 78 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.862 103.8 58.4 -58.3 -36.4 34.6 4.3 36.2 215 216 A E H 34 S+ 0 0 119 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.529 118.3 29.6 -75.2 -8.2 37.6 4.3 33.8 216 217 A R H S+ 0 0 106 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.944 115.7 41.9 -68.8 -43.4 39.6 -1.5 38.9 219 220 A T H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.930 113.5 54.9 -64.0 -46.1 43.0 0.1 39.6 220 221 A F H X S+ 0 0 15 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.932 107.9 47.8 -53.5 -51.7 41.4 2.3 42.2 221 222 A N H X S+ 0 0 35 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.889 112.7 48.6 -58.5 -41.8 39.9 -0.6 44.1 222 223 A E H X S+ 0 0 50 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.887 110.4 52.3 -64.4 -37.2 43.3 -2.4 44.0 223 224 A M H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.891 110.6 48.2 -64.1 -37.3 44.8 0.8 45.2 224 225 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.897 107.4 55.2 -71.0 -39.6 42.3 0.9 48.1 225 226 A E H X S+ 0 0 52 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.893 109.1 46.7 -58.6 -43.7 42.9 -2.8 49.0 226 227 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.903 110.7 52.2 -70.7 -36.3 46.6 -2.2 49.5 227 228 A A H X S+ 0 0 0 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.914 111.6 47.2 -62.6 -41.8 46.0 0.9 51.5 228 229 A L H >X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 3,-0.7 0.928 111.4 51.3 -64.9 -42.8 43.7 -1.1 53.8 229 230 A D H 3X S+ 0 0 25 -4,-2.5 4,-0.8 1,-0.3 -2,-0.2 0.921 108.4 50.0 -59.6 -45.9 46.3 -3.9 54.0 230 231 A A H 3< S+ 0 0 1 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.687 113.7 50.5 -66.8 -14.5 49.0 -1.4 55.0 231 232 A A H << S+ 0 0 7 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.902 104.7 51.9 -87.1 -46.3 46.5 -0.2 57.6 232 233 A I H < 0 0 63 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.1 0.526 360.0 360.0 -75.5 -3.0 45.5 -3.5 59.2 233 234 A Q < 0 0 138 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.1 0.555 360.0 360.0 -91.0 360.0 49.2 -4.4 59.8