==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JAN-12 4DAR . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR P.O.GIUSEPPE,N.H.MARTINS,A.N.MEZA,M.T.MURAKAMI . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.5 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 . 22 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 2 0 0 0 1 1 0 1 1 0 0 1 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 . 1 2 0 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 1 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 2 A S > 0 0 64 0, 0.0 3,-0.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 140.4 40.3 25.7 -2.6 2 3 A V T 3 + 0 0 126 1,-0.2 3,-0.0 3,-0.1 0, 0.0 0.735 360.0 30.2 -51.7 -41.9 42.0 23.1 -0.5 3 4 A H T 3 S+ 0 0 38 1,-0.1 2,-0.5 67,-0.1 -1,-0.2 0.571 111.7 63.1-102.5 -14.1 40.7 23.8 3.0 4 5 A I < - 0 0 2 -3,-0.8 2,-0.7 2,-0.1 -1,-0.1 -0.973 63.8-158.9-116.8 117.5 37.3 25.3 2.3 5 6 A G + 0 0 42 -2,-0.5 2,-0.3 36,-0.0 -3,-0.1 -0.266 49.5 124.5 -91.7 47.8 34.8 22.9 0.6 6 7 A A - 0 0 10 -2,-0.7 2,-0.2 -5,-0.2 -2,-0.1 -0.711 55.4-128.3-106.8 156.1 32.5 25.6 -0.8 7 8 A E > - 0 0 140 -2,-0.3 3,-1.9 1,-0.2 4,-0.3 -0.670 47.8 -73.5 -98.0 157.7 31.4 26.3 -4.4 8 9 A K T 3 S+ 0 0 198 -2,-0.2 -1,-0.2 1,-0.2 71,-0.1 -0.152 118.8 17.3 -48.7 138.8 31.7 29.7 -6.1 9 10 A G T 3 S+ 0 0 74 2,-0.1 -1,-0.2 1,-0.1 70,-0.0 0.119 92.5 103.0 87.6 -21.6 29.1 32.2 -4.7 10 11 A Q S < S+ 0 0 58 -3,-1.9 2,-0.4 2,-0.1 28,-0.1 0.650 70.2 74.0 -67.2 -16.2 28.2 30.3 -1.5 11 12 A I S S- 0 0 14 -4,-0.3 -2,-0.1 46,-0.1 4,-0.1 -0.872 82.6-124.7-107.5 134.2 30.4 32.7 0.6 12 13 A A - 0 0 8 -2,-0.4 71,-0.1 2,-0.2 44,-0.1 -0.181 20.7-115.3 -70.2 160.1 29.3 36.3 1.4 13 14 A D S S+ 0 0 99 68,-0.2 70,-3.0 42,-0.1 69,-1.2 0.792 109.0 52.5 -58.7 -30.1 31.2 39.5 0.6 14 15 A T E S-a 83 0A 4 41,-0.3 43,-2.6 68,-0.2 2,-0.4 -0.938 71.7-177.8-114.4 129.9 31.3 39.9 4.4 15 16 A V E -ab 84 57A 0 68,-2.7 70,-2.9 -2,-0.4 2,-0.3 -0.992 17.8-145.9-130.8 133.1 32.6 37.1 6.7 16 17 A L E -ab 85 58A 4 41,-2.3 43,-2.4 -2,-0.4 70,-0.2 -0.736 15.9-152.2 -91.1 146.8 32.8 36.9 10.5 17 18 A L E +a 86 0A 0 68,-2.5 70,-1.0 -2,-0.3 2,-0.3 -0.721 17.8 173.9-131.4 81.5 35.7 35.0 11.9 18 19 A P - 0 0 3 0, 0.0 43,-1.5 0, 0.0 44,-0.3 -0.646 33.2-134.3 -79.7 145.2 35.3 33.3 15.3 19 20 A G S S+ 0 0 18 -2,-0.3 43,-1.6 68,-0.3 69,-0.1 0.842 89.9 71.5 -63.0 -32.2 38.2 31.1 16.3 20 21 A D > - 0 0 75 1,-0.1 4,-1.0 41,-0.1 3,-0.4 -0.756 68.1-155.7 -97.5 118.6 35.8 28.4 17.5 21 22 A P H > S+ 0 0 25 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.773 98.8 54.2 -65.5 -24.5 34.0 26.4 14.7 22 23 A L H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.771 105.3 51.4 -77.7 -28.9 31.2 25.6 17.2 23 24 A R H > S+ 0 0 98 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.681 104.4 61.0 -72.8 -17.9 30.8 29.4 18.0 24 25 A A H X S+ 0 0 0 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.817 107.6 43.2 -74.0 -34.0 30.5 29.6 14.2 25 26 A K H X S+ 0 0 92 -4,-0.9 4,-3.2 2,-0.2 5,-0.3 0.980 112.9 50.4 -66.1 -64.1 27.5 27.4 14.4 26 27 A F H X S+ 0 0 81 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.819 113.2 47.0 -46.4 -43.6 25.9 29.1 17.4 27 28 A I H X S+ 0 0 3 -4,-1.8 4,-1.7 2,-0.2 5,-0.3 0.979 114.7 44.7 -62.2 -57.2 26.3 32.5 15.8 28 29 A A H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.873 120.4 41.9 -57.0 -41.7 24.9 31.5 12.4 29 30 A E H < S+ 0 0 123 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.931 118.7 41.8 -72.1 -48.7 22.0 29.6 14.1 30 31 A T H < S+ 0 0 81 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.575 128.6 26.0 -80.1 -8.3 21.1 32.1 16.8 31 32 A Y H < S+ 0 0 39 -4,-1.7 2,-0.4 -5,-0.1 -3,-0.2 0.562 104.5 71.0-129.8 -14.4 21.4 35.3 14.6 32 33 A L < - 0 0 12 -4,-1.4 2,-0.4 -5,-0.3 3,-0.4 -0.888 62.5-135.0-120.2 143.6 20.8 34.5 10.8 33 34 A E E S+C 50 0A 137 17,-2.5 17,-1.8 -2,-0.4 -3,-0.0 -0.771 86.0 11.5 -91.7 134.9 17.8 33.6 8.8 34 35 A N E S- 0 0 139 -2,-0.4 -1,-0.2 15,-0.2 14,-0.1 0.940 83.8-160.7 68.1 54.1 18.0 30.8 6.2 35 36 A V E - 0 0 56 -3,-0.4 2,-0.3 14,-0.1 14,-0.2 -0.290 11.2-171.0 -65.8 142.8 21.4 29.3 7.2 36 37 A E E -C 48 0A 114 12,-1.8 12,-1.4 -26,-0.1 2,-0.6 -0.946 18.9-140.2-124.3 154.6 23.4 27.1 4.9 37 38 A C E +C 47 0A 47 -2,-0.3 10,-0.2 10,-0.2 3,-0.0 -0.865 26.5 168.9-114.5 96.5 26.5 25.1 5.8 38 39 A Y E + 0 0 13 -2,-0.6 2,-0.4 8,-0.5 -1,-0.1 0.871 62.7 43.0 -75.1 -38.9 29.0 25.4 2.9 39 40 A N E +C 46 0A 0 7,-0.9 7,-1.3 1,-0.1 -1,-0.1 -0.915 39.4 154.7-115.4 134.8 32.1 23.9 4.5 40 41 A E > + 0 0 139 -2,-0.4 3,-1.4 5,-0.2 2,-0.2 0.160 35.6 136.1-129.2 14.0 32.5 20.9 6.7 41 42 A V G > S- 0 0 55 1,-0.3 3,-1.9 3,-0.2 -36,-0.0 -0.442 86.1 -6.6 -66.4 128.8 36.2 20.2 5.8 42 43 A R G 3 S- 0 0 192 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.456 118.1 -79.7 64.4 3.3 38.2 19.5 9.0 43 44 A G G < S+ 0 0 26 -3,-1.4 2,-1.2 1,-0.2 -1,-0.3 0.639 97.0 134.1 74.4 14.3 35.1 20.3 11.1 44 45 A M < - 0 0 27 -3,-1.9 -3,-0.2 -41,-0.2 -1,-0.2 -0.728 50.7-151.2 -93.9 82.9 35.9 24.0 10.6 45 46 A Y - 0 0 68 -2,-1.2 15,-1.4 -5,-0.2 2,-0.4 -0.276 17.7-166.7 -70.0 137.1 32.3 24.9 9.7 46 47 A G E -CD 39 59A 0 -7,-1.3 -7,-0.9 13,-0.2 -8,-0.5 -0.942 7.5-170.9-116.1 143.5 31.4 27.8 7.5 47 48 A F E -CD 37 58A 16 11,-1.7 11,-2.8 -2,-0.4 2,-0.4 -0.990 10.2-159.6-134.4 141.6 27.8 29.1 7.2 48 49 A T E +CD 36 57A 9 -12,-1.4 -12,-1.8 -2,-0.4 2,-0.2 -0.982 31.6 130.2-120.7 136.4 26.1 31.6 4.9 49 50 A G E - D 0 56A 2 7,-1.4 7,-2.2 -2,-0.4 2,-0.3 -0.802 47.0 -88.8-156.3-163.1 22.8 33.3 5.8 50 51 A T E -CD 33 55A 28 -17,-1.8 -17,-2.5 5,-0.2 2,-0.4 -0.941 18.6-171.7-127.2 148.4 21.1 36.6 6.0 51 52 A Y E > S- D 0 54A 48 3,-2.2 3,-1.2 -2,-0.3 -19,-0.1 -0.941 86.9 -9.7-136.6 118.4 20.7 39.3 8.6 52 53 A K T 3 S- 0 0 158 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.892 131.6 -55.1 56.4 45.5 18.2 42.1 7.7 53 54 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.2 -20,-0.0 2,-0.2 0.164 116.1 113.1 83.3 -16.7 17.9 40.8 4.2 54 55 A K E < S- D 0 51A 88 -3,-1.2 -3,-2.2 1,-0.1 2,-0.3 -0.607 71.5-109.6 -98.3 146.3 21.7 40.9 3.6 55 56 A K E + D 0 50A 125 -2,-0.2 2,-0.3 -5,-0.2 -41,-0.3 -0.543 38.2 171.1 -74.3 131.9 24.2 38.1 3.1 56 57 A I E - D 0 49A 8 -7,-2.2 -7,-1.4 -2,-0.3 2,-0.2 -0.943 14.6-158.3-141.6 118.7 26.6 37.4 6.0 57 58 A S E -bD 15 48A 0 -43,-2.6 -41,-2.3 -2,-0.3 2,-0.4 -0.647 2.0-155.7 -94.5 157.1 28.9 34.4 6.1 58 59 A V E +bD 16 47A 0 -11,-2.8 -11,-1.7 -43,-0.2 2,-0.4 -0.931 14.2 179.9-137.3 111.5 30.5 33.0 9.3 59 60 A Q E - D 0 46A 0 -43,-2.4 -13,-0.2 -2,-0.4 2,-0.2 -0.932 24.0-132.6-120.1 132.6 33.7 30.9 9.1 60 61 A G - 0 0 0 -15,-1.4 -41,-0.2 -2,-0.4 -40,-0.1 -0.550 18.3-172.1 -76.6 145.5 35.7 29.3 11.9 61 62 A T - 0 0 0 -43,-1.5 10,-0.2 -2,-0.2 -42,-0.2 0.688 24.7-134.0-112.4 -26.3 39.5 30.0 11.7 62 63 A G - 0 0 11 -43,-1.6 2,-0.4 -44,-0.3 -1,-0.2 -0.343 40.5 -51.7 86.5-178.4 41.1 27.9 14.4 63 64 A M S S+ 0 0 160 -2,-0.1 4,-0.4 4,-0.1 116,-0.1 -0.791 93.4 19.7-104.2 134.6 43.8 29.0 16.8 64 65 A G S > S- 0 0 9 -2,-0.4 4,-1.9 114,-0.2 3,-0.3 0.058 88.4 -75.9 96.3 157.1 47.0 30.8 16.0 65 66 A V H > S+ 0 0 3 90,-0.3 4,-2.3 1,-0.2 5,-0.2 0.887 123.9 53.7 -56.5 -47.1 48.4 32.8 13.1 66 67 A P H > S+ 0 0 92 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.885 109.7 48.5 -58.5 -41.6 49.1 29.9 10.8 67 68 A S H >> S+ 0 0 28 -4,-0.4 4,-1.4 -3,-0.3 3,-0.7 0.962 114.7 41.7 -63.3 -56.2 45.5 28.6 11.0 68 69 A I H 3X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.846 109.3 61.6 -63.7 -31.3 43.7 31.8 10.4 69 70 A S H 3X S+ 0 0 16 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.847 101.5 53.2 -63.1 -34.0 46.2 32.7 7.7 70 71 A I H S+ 0 0 28 -4,-1.9 4,-1.7 1,-0.2 5,-1.0 0.913 111.7 55.8 -68.8 -40.5 41.5 31.2 0.6 75 76 A L H <5S+ 0 0 0 -4,-2.9 6,-1.7 3,-0.2 4,-0.5 0.887 117.5 37.0 -55.9 -39.7 38.5 33.3 1.5 76 77 A I H X5S+ 0 0 0 -4,-1.1 4,-0.8 -5,-0.2 -2,-0.2 0.960 125.1 33.5 -78.5 -57.0 40.1 36.3 -0.3 77 78 A Q H <5S+ 0 0 128 -4,-2.9 -3,-0.2 2,-0.2 3,-0.2 0.931 128.4 33.7 -68.0 -48.7 41.8 34.7 -3.3 78 79 A S T <5S+ 0 0 67 -4,-1.7 -3,-0.2 -5,-0.4 -1,-0.2 0.751 132.7 25.8 -85.4 -27.2 39.3 31.9 -4.1 79 80 A Y T 4 S- 0 0 76 80,-0.6 3,-0.8 3,-0.1 112,-0.1 -0.966 70.5-136.1-133.5 150.5 45.6 46.0 32.1 95 96 A K T 3 S+ 0 0 176 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.893 105.8 58.6 -67.6 -39.2 43.5 46.8 35.2 96 97 A D T 3 S+ 0 0 83 -3,-0.1 2,-0.7 2,-0.1 -1,-0.2 0.389 83.0 88.8 -78.1 2.5 41.7 49.6 33.3 97 98 A V S < S- 0 0 1 -3,-0.8 2,-0.2 77,-0.1 -3,-0.1 -0.927 78.0-148.1 -95.1 112.1 40.4 47.2 30.6 98 99 A K > - 0 0 107 -2,-0.7 3,-1.6 1,-0.1 102,-0.1 -0.475 19.1-116.4 -90.5 155.0 37.1 46.1 32.2 99 100 A V T 3 S+ 0 0 26 1,-0.3 101,-0.5 -2,-0.2 119,-0.1 0.685 115.1 48.6 -64.2 -21.3 35.4 42.7 31.8 100 101 A R T 3 S+ 0 0 118 99,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.537 87.9 111.0 -93.4 -10.8 32.4 44.2 30.1 101 102 A D < - 0 0 23 -3,-1.6 99,-0.5 46,-0.1 2,-0.5 -0.242 59.9-142.8 -65.0 153.2 34.4 46.3 27.6 102 103 A V E -g 147 0A 0 44,-0.8 46,-2.0 97,-0.1 2,-0.5 -0.992 18.2-141.5-119.6 126.9 34.4 45.4 23.9 103 104 A I E -gH 148 198A 0 95,-3.3 95,-2.8 -2,-0.5 2,-0.6 -0.771 16.0-169.4-104.0 129.5 37.7 45.9 22.2 104 105 A L E -gH 149 197A 0 44,-2.0 46,-1.1 -2,-0.5 2,-0.7 -0.975 23.7-139.4-110.0 115.8 38.3 47.2 18.7 105 106 A A E -g 150 0A 0 91,-1.6 91,-0.5 -2,-0.6 46,-0.2 -0.670 22.6-179.5 -82.9 113.0 41.9 46.6 17.6 106 107 A M E S- 0 0 91 44,-2.2 22,-2.4 -2,-0.7 2,-0.3 0.873 76.6 -11.4 -66.2 -41.9 43.5 49.5 15.7 107 108 A T E -g 151 0A 43 43,-0.5 45,-1.4 20,-0.2 2,-0.4 -0.889 66.3-132.7-151.9 173.3 46.7 47.5 15.5 108 109 A S E -g 152 0A 4 -2,-0.3 45,-0.2 18,-0.3 2,-0.2 -0.995 3.7-149.6-143.7 134.6 48.4 44.4 16.8 109 110 A S E -g 153 0A 45 43,-2.9 45,-3.6 -2,-0.4 2,-0.3 -0.607 26.8-176.8 -90.7 161.5 51.9 43.6 18.2 110 111 A T E -g 154 0A 42 43,-0.2 45,-0.2 -2,-0.2 68,-0.0 -0.994 41.7-157.2-157.3 151.3 53.2 40.1 17.7 111 112 A D + 0 0 71 43,-1.1 2,-0.2 -2,-0.3 44,-0.1 0.233 66.9 116.5-107.3 4.4 56.1 37.7 18.4 112 113 A S - 0 0 13 42,-0.6 3,-0.5 1,-0.1 4,-0.4 -0.508 64.9-143.0 -66.8 140.9 55.1 35.7 15.3 113 114 A Q S > S+ 0 0 129 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.313 74.3 106.8 -87.0 9.6 57.8 35.7 12.7 114 115 A M H > S+ 0 0 51 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.891 87.1 36.0 -58.3 -39.3 55.3 35.9 9.9 115 116 A N H >> S+ 0 0 9 -3,-0.5 4,-2.3 2,-0.2 3,-0.8 0.927 112.6 55.7 -79.7 -47.1 56.1 39.6 9.2 116 117 A R H 3> S+ 0 0 153 -4,-0.4 4,-1.7 1,-0.3 -2,-0.2 0.819 105.0 56.3 -56.0 -32.8 59.9 39.5 9.9 117 118 A V H 3< S+ 0 0 115 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.860 113.6 39.9 -62.3 -38.2 60.1 36.7 7.3 118 119 A A H << S+ 0 0 76 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.793 132.7 21.3 -81.8 -31.3 58.5 39.0 4.7 119 120 A F H < S- 0 0 100 -4,-2.3 2,-1.1 3,-0.2 -3,-0.2 0.759 76.9-164.7-112.9 -37.2 60.2 42.3 5.6 120 121 A G S < S+ 0 0 49 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.1 -0.684 80.4 21.7 89.0 -94.4 63.5 41.5 7.5 121 122 A S S S+ 0 0 132 -2,-1.1 2,-0.5 2,-0.1 -1,-0.2 0.508 106.4 92.1 -89.7 -5.0 64.7 44.7 9.3 122 123 A V - 0 0 81 -6,-0.1 2,-0.9 -7,-0.1 -3,-0.2 -0.812 68.2-141.6 -97.5 123.8 61.2 46.4 9.3 123 124 A D - 0 0 134 -2,-0.5 2,-0.7 -4,-0.1 -2,-0.1 -0.766 26.7-152.2 -71.0 108.7 58.8 46.2 12.2 124 125 A F - 0 0 71 -2,-0.9 -9,-0.1 1,-0.0 -8,-0.1 -0.832 4.6-156.3 -91.0 116.4 55.6 46.0 10.2 125 126 A A - 0 0 70 -2,-0.7 -16,-0.1 -18,-0.0 -2,-0.0 -0.835 14.3-140.5 -91.4 107.1 52.7 47.4 12.1 126 127 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 -18,-0.3 -0.074 16.9-146.5 -59.2 170.9 49.4 45.9 10.8 127 128 A C - 0 0 91 57,-0.3 67,-0.2 -20,-0.1 -20,-0.2 -0.956 8.7-132.9-152.9 123.7 46.3 48.2 10.5 128 129 A A - 0 0 9 -22,-2.4 2,-0.5 -2,-0.3 67,-0.2 -0.361 43.9 -97.6 -65.3 151.4 42.5 47.8 10.9 129 130 A D > - 0 0 44 65,-2.5 4,-2.0 1,-0.2 5,-0.2 -0.637 30.5-143.7 -73.9 123.3 40.4 49.4 8.1 130 131 A F H > S+ 0 0 146 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.761 95.7 54.9 -66.6 -24.8 39.4 52.7 9.4 131 132 A E H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.990 111.4 42.2 -68.8 -60.5 36.0 52.6 7.8 132 133 A L H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.800 116.4 52.7 -52.3 -31.4 35.0 49.2 9.3 133 134 A L H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.958 110.3 44.9 -71.5 -50.1 36.5 50.5 12.6 134 135 A K H X S+ 0 0 110 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.936 111.3 53.1 -57.3 -51.0 34.5 53.7 12.6 135 136 A N H X S+ 0 0 24 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.928 110.8 46.5 -55.7 -47.4 31.3 52.0 11.8 136 137 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 93,-0.3 -1,-0.2 0.912 112.3 51.7 -59.2 -42.2 31.7 49.5 14.6 137 138 A Y H X S+ 0 0 95 -4,-2.2 4,-2.3 2,-0.2 3,-0.4 0.964 113.6 42.9 -59.0 -54.5 32.6 52.4 17.0 138 139 A D H X S+ 0 0 67 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.940 111.4 54.9 -53.5 -53.8 29.5 54.4 16.0 139 140 A A H X S+ 0 0 23 -4,-3.1 4,-0.8 -5,-0.3 -1,-0.2 0.795 110.9 46.7 -53.2 -32.6 27.3 51.2 16.1 140 141 A A H X>S+ 0 0 1 -4,-1.8 5,-2.4 -3,-0.4 4,-0.7 0.922 115.2 43.9 -75.5 -46.4 28.5 50.6 19.7 141 142 A K H <5S+ 0 0 116 -4,-2.3 3,-0.4 3,-0.2 -2,-0.2 0.878 107.0 59.5 -67.6 -41.6 28.0 54.2 20.9 142 143 A D H <5S+ 0 0 156 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 115.5 35.9 -52.3 -41.3 24.5 54.6 19.2 143 144 A K H <5S- 0 0 120 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.486 116.7-114.9 -94.4 -6.0 23.3 51.6 21.3 144 145 A G T <5 + 0 0 63 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.595 57.8 156.5 87.8 13.0 25.4 52.6 24.4 145 146 A V < - 0 0 10 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.521 47.9-112.5 -74.5 134.5 27.7 49.6 24.5 146 147 A P - 0 0 60 0, 0.0 -44,-0.8 0, 0.0 2,-0.4 -0.478 42.0-176.6 -72.8 137.6 31.1 50.3 26.3 147 148 A V E -g 102 0A 23 -46,-0.2 2,-0.4 -2,-0.2 -44,-0.2 -0.996 20.5-161.8-144.2 130.2 34.0 50.2 23.9 148 149 A T E -g 103 0A 33 -46,-2.0 -44,-2.0 -2,-0.4 2,-0.6 -0.954 10.7-160.5-109.1 132.1 37.8 50.5 24.2 149 150 A V E +g 104 0A 54 -2,-0.4 2,-0.2 -46,-0.2 -44,-0.2 -0.938 42.1 91.3-116.9 112.5 39.9 51.3 21.1 150 151 A G E -g 105 0A 13 -46,-1.1 -44,-2.2 -2,-0.6 -43,-0.5 -0.833 68.8 -48.6-164.6-155.6 43.6 50.6 21.2 151 152 A S E -g 107 0A 25 -2,-0.2 23,-2.5 -46,-0.2 24,-0.4 -0.494 39.7-162.9 -96.3 165.2 46.2 47.9 20.3 152 153 A V E -g 108 0A 0 -45,-1.4 -43,-2.9 21,-0.2 2,-0.4 -0.699 19.8-113.8-132.4-176.7 46.5 44.2 21.1 153 154 A F E -gi 109 176A 19 22,-1.6 24,-1.9 -45,-0.2 2,-0.9 -0.918 13.3-155.2-133.2 108.0 49.1 41.4 21.1 154 155 A T E -gi 110 177A 0 -45,-3.6 -43,-1.1 -2,-0.4 -42,-0.6 -0.711 23.7-166.4 -81.9 104.2 49.0 38.4 18.7 155 156 A A - 0 0 5 22,-2.8 -90,-0.3 -2,-0.9 3,-0.1 -0.472 24.7-154.9 -88.7 159.0 51.0 35.6 20.5 156 157 A D S S+ 0 0 76 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.720 84.7 49.6 -96.8 -34.7 52.3 32.4 19.1 157 158 A Q > - 0 0 121 1,-0.1 3,-0.6 -93,-0.0 -1,-0.2 -0.941 61.8-160.4-115.6 120.6 52.3 30.4 22.3 158 159 A F T 3 S+ 0 0 152 -2,-0.5 2,-0.6 1,-0.3 -1,-0.1 0.858 95.7 44.8 -57.9 -39.4 49.3 30.3 24.6 159 160 A Y T 3 S- 0 0 189 4,-0.0 2,-0.5 0, 0.0 -1,-0.3 -0.553 82.3-178.5-107.5 66.8 51.5 29.3 27.6 160 161 A N < - 0 0 34 -2,-0.6 3,-0.4 -3,-0.6 -2,-0.0 -0.548 19.5-178.7 -81.8 116.4 54.5 31.6 27.2 161 162 A D S S+ 0 0 157 -2,-0.5 2,-1.9 1,-0.3 -1,-0.2 0.933 89.3 53.0 -68.5 -51.3 57.3 31.2 29.8 162 163 A D S S+ 0 0 145 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 -0.460 86.3 171.4 -79.5 62.2 59.3 34.1 28.3 163 164 A S + 0 0 51 -2,-1.9 3,-0.4 -3,-0.4 4,-0.1 -0.691 20.8 173.9 -88.2 112.8 56.2 36.3 28.6 164 165 A Q >> + 0 0 134 -2,-0.7 4,-2.2 1,-0.2 3,-1.3 0.313 51.7 107.4 -98.5 6.1 56.9 40.0 27.9 165 166 A I H 3> S+ 0 0 14 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.650 72.6 66.7 -59.0 -13.2 53.2 40.9 28.1 166 167 A E H 3> S+ 0 0 128 -3,-0.4 4,-0.8 2,-0.2 -1,-0.3 0.891 105.8 39.7 -68.1 -42.1 54.3 42.6 31.4 167 168 A K H <> S+ 0 0 118 -3,-1.3 4,-0.7 2,-0.2 3,-0.3 0.877 114.2 53.6 -72.9 -39.9 56.4 45.0 29.3 168 169 A L H ><>S+ 0 0 35 -4,-2.2 5,-1.6 1,-0.2 3,-0.9 0.855 101.4 59.4 -62.6 -38.5 53.6 45.4 26.7 169 170 A A H ><5S+ 0 0 10 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.858 101.5 55.7 -55.9 -38.4 51.0 46.3 29.3 170 171 A K H 3<5S+ 0 0 171 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.721 103.3 54.8 -67.3 -23.5 53.2 49.3 30.3 171 172 A Y T <<5S- 0 0 177 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.386 125.8 -98.7 -93.8 1.6 53.1 50.5 26.7 172 173 A G T < 5 + 0 0 33 -3,-1.2 -21,-0.2 1,-0.3 -3,-0.2 0.295 65.9 155.8 106.3 -7.1 49.3 50.5 26.6 173 174 A V < - 0 0 5 -5,-1.6 -1,-0.3 1,-0.1 -21,-0.2 -0.289 33.3-149.9 -60.1 134.2 48.5 47.2 24.9 174 175 A L - 0 0 14 -23,-2.5 -81,-1.7 1,-0.2 -80,-0.6 0.779 56.2 -36.0 -85.8 -29.8 45.0 46.2 26.0 175 176 A G E -F 92 0A 0 -24,-0.4 -22,-1.6 -83,-0.3 2,-0.4 -0.984 55.5 -95.4 178.8 176.8 45.2 42.4 25.8 176 177 A V E +Fi 91 153A 28 -85,-2.7 -85,-2.0 -2,-0.3 2,-0.2 -0.927 38.0 146.8-122.2 130.1 46.5 39.2 24.2 177 178 A E E - i 0 154A 8 -24,-1.9 -22,-2.8 -2,-0.4 -87,-0.1 -0.701 42.7-119.4-140.0-167.1 45.0 36.9 21.6 178 179 A M S S+ 0 0 28 -24,-0.3 -114,-0.2 -2,-0.2 -24,-0.1 0.066 88.4 42.0-134.6 29.5 46.5 34.8 18.7 179 180 A E S >> S+ 0 0 10 -115,-0.1 4,-1.5 -116,-0.1 3,-1.3 0.614 76.1 89.0-139.2 -35.9 45.1 35.9 15.3 180 181 A T H 3> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.803 85.0 57.0 -53.2 -45.5 44.7 39.6 14.6 181 182 A T H 3> S+ 0 0 0 -72,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.896 110.3 48.7 -52.8 -39.9 48.2 40.3 13.2 182 183 A A H <> S+ 0 0 0 -3,-1.3 4,-2.6 2,-0.2 5,-0.4 0.979 112.4 45.8 -62.2 -58.9 47.5 37.7 10.5 183 184 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.934 114.9 47.0 -47.6 -55.7 44.0 39.0 9.6 184 185 A Y H X S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.2 -57,-0.3 0.829 115.2 45.6 -62.2 -33.6 45.1 42.6 9.4 185 186 A T H X S+ 0 0 15 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.930 114.4 44.2 -78.6 -47.5 48.2 41.9 7.3 186 187 A L H X S+ 0 0 8 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.873 114.0 52.0 -67.5 -37.7 46.7 39.5 4.8 187 188 A A H <>S+ 0 0 2 -4,-2.5 5,-3.0 -5,-0.4 4,-0.4 0.942 112.4 45.7 -59.1 -48.3 43.6 41.8 4.4 188 189 A A H ><5S+ 0 0 56 -4,-1.6 3,-0.9 -5,-0.3 -2,-0.2 0.874 108.7 55.8 -66.9 -38.0 45.9 44.8 3.7 189 190 A K H 3<5S+ 0 0 152 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.3 39.0 -61.1 -39.6 48.2 42.9 1.3 190 191 A H T 3<5S- 0 0 46 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.297 117.6-108.3 -99.8 7.0 45.3 41.9 -1.0 191 192 A G T < 5S+ 0 0 63 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.2 0.839 74.4 130.2 73.8 34.5 43.4 45.2 -0.7 192 193 A R < - 0 0 47 -5,-3.0 2,-0.5 -6,-0.2 -1,-0.2 -0.520 57.5-105.5-109.6 179.9 40.6 44.0 1.5 193 194 A K E +e 83 0A 57 -111,-1.9 -109,-3.0 -2,-0.2 2,-0.3 -0.932 37.8 172.0-116.6 130.0 39.1 45.3 4.7 194 195 A A E +e 84 0A 3 -2,-0.5 -65,-2.5 -67,-0.2 2,-0.3 -0.896 9.9 172.1-133.1 160.6 39.5 43.8 8.2 195 196 A L E -e 85 0A 0 -111,-1.1 -109,-2.0 -2,-0.3 2,-0.5 -0.887 20.6-142.6-163.5 138.6 38.8 44.5 11.8 196 197 A S E -e 86 0A 0 -91,-0.5 -91,-1.6 -2,-0.3 2,-0.4 -0.901 14.1-172.7-101.2 134.4 39.1 42.5 15.1 197 198 A I E -eH 87 104A 0 -111,-2.1 -109,-1.7 -2,-0.5 2,-0.4 -0.999 14.3-176.2-125.1 129.4 36.5 42.9 17.7 198 199 A L E -eH 88 103A 0 -95,-2.8 -95,-3.3 -2,-0.4 -109,-0.3 -0.973 20.6-151.9-136.2 135.7 37.2 41.1 21.0 199 200 A T E -e 89 0A 10 -111,-1.7 -109,-1.3 -2,-0.4 2,-0.7 -0.490 34.9-106.6 -90.5 171.4 35.6 40.5 24.3 200 201 A V E +e 90 0A 2 -101,-0.5 -109,-0.2 -99,-0.5 3,-0.1 -0.890 31.0 179.7-106.4 106.8 37.6 40.0 27.5 201 202 A S E - 0 0 27 -111,-1.9 9,-1.2 -2,-0.7 2,-0.3 0.823 67.2 -34.9 -71.5 -34.5 37.6 36.3 28.7 202 203 A D E -eJ 91 209A 33 -112,-0.8 -110,-3.2 7,-0.2 2,-0.5 -0.977 61.1 -90.7-170.5 170.4 39.8 37.1 31.8 203 204 A H E -e 92 0A 10 5,-2.3 -110,-0.2 -2,-0.3 4,-0.1 -0.900 29.8-165.8 -94.5 128.0 42.6 39.2 33.2 204 205 A V S S+ 0 0 59 -112,-2.5 3,-0.3 -2,-0.5 -111,-0.2 0.863 84.7 47.3 -80.7 -38.0 45.9 37.4 32.7 205 206 A L S S+ 0 0 84 -113,-0.6 -1,-0.1 1,-0.2 -112,-0.1 0.705 119.0 37.9 -85.6 -22.8 48.0 39.4 35.1 206 207 A T S S- 0 0 79 2,-0.2 2,-1.9 -112,-0.1 -1,-0.2 0.314 98.2-136.7-102.4 5.2 45.6 39.4 38.0 207 208 A G + 0 0 54 -3,-0.3 -2,-0.1 1,-0.2 -3,-0.1 -0.005 55.3 143.9 68.7 -36.5 44.6 35.7 37.3 208 209 A E - 0 0 105 -2,-1.9 -5,-2.3 -6,-0.1 -1,-0.2 -0.031 39.2-148.2 -35.5 121.8 41.0 36.7 37.9 209 210 A E B -J 202 0A 121 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.556 12.3-119.2 -94.0 159.2 38.4 34.9 35.6 210 211 A T - 0 0 5 -9,-1.2 2,-0.1 -2,-0.2 5,-0.0 -0.837 32.1-107.6 -99.5 142.2 35.1 36.4 34.3 211 212 A T >> - 0 0 83 -2,-0.4 4,-1.4 1,-0.1 3,-0.9 -0.372 26.9-115.9 -69.3 146.1 31.8 34.6 35.2 212 213 A A H 3> S+ 0 0 64 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.769 113.8 58.7 -54.2 -32.3 30.0 32.7 32.4 213 214 A E H 3> S+ 0 0 150 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.912 103.7 50.5 -64.2 -43.9 27.0 35.1 32.5 214 215 A E H <> S+ 0 0 61 -3,-0.9 4,-2.2 1,-0.2 5,-0.3 0.847 109.9 52.4 -61.5 -36.1 29.3 38.2 31.7 215 216 A R H X S+ 0 0 93 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.944 106.9 50.8 -66.1 -49.2 30.7 36.2 28.8 216 217 A Q H X S+ 0 0 139 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.889 112.8 48.8 -53.3 -43.0 27.3 35.5 27.3 217 218 A T H X S+ 0 0 45 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.981 116.4 36.9 -63.0 -61.0 26.4 39.2 27.6 218 219 A T H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.763 112.1 60.7 -71.1 -27.0 29.4 40.7 25.9 219 220 A F H X S+ 0 0 21 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.944 107.1 46.4 -57.4 -49.2 29.6 37.9 23.5 220 221 A H H X S+ 0 0 74 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.904 111.5 51.6 -59.1 -43.6 26.1 39.0 22.3 221 222 A D H X S+ 0 0 19 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.926 106.1 54.3 -59.2 -50.3 27.2 42.6 22.2 222 223 A M H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.921 109.4 47.6 -46.9 -51.5 30.2 41.9 20.1 223 224 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.864 111.3 50.3 -67.5 -36.4 28.1 40.1 17.5 224 225 A D H X S+ 0 0 20 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.963 112.6 46.5 -61.9 -50.2 25.5 43.0 17.4 225 226 A V H >X S+ 0 0 5 -4,-3.0 4,-0.9 1,-0.2 3,-0.8 0.923 112.2 52.6 -56.9 -46.5 28.3 45.5 16.9 226 227 A A H >< S+ 0 0 1 -4,-3.1 3,-2.3 -5,-0.2 4,-0.3 0.970 104.3 55.1 -48.3 -58.9 29.8 43.2 14.3 227 228 A L H 3< S+ 0 0 21 -4,-2.7 -1,-0.2 1,-0.3 3,-0.2 0.663 112.4 42.6 -59.3 -19.4 26.5 43.0 12.4 228 229 A H H << S+ 0 0 83 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.535 86.8 94.1 -98.7 -8.2 26.2 46.8 12.1 229 230 A S << + 0 0 0 -3,-2.3 -93,-0.3 -4,-0.9 2,-0.2 0.632 67.1 90.1 -62.0 -14.8 29.9 47.4 11.2 230 231 A V 0 0 29 -4,-0.3 -216,-0.0 -3,-0.2 -147,-0.0 -0.618 360.0 360.0 -88.8 145.4 29.1 47.3 7.4 231 232 A S 0 0 121 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.087 360.0 360.0 51.3 360.0 28.2 50.6 5.5