==== 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 12-JAN-12 4DA0 . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR N.H.MARTINS,P.O.GIUSEPPE,A.N.MEZA,M.T.MURAKAMI . 230 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 8.3 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 . 1 0.4 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 . 21 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 28.3 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 1 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 0 0 1 0 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 . 0 2 1 0 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 1 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 2 A S > 0 0 61 0, 0.0 3,-1.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 124.2 -2.4 -47.5 2.7 2 3 A V T 3 + 0 0 137 1,-0.3 3,-0.1 3,-0.1 0, 0.0 0.730 360.0 26.6 -36.3 -47.3 0.9 -48.1 0.9 3 4 A H T 3 S+ 0 0 39 1,-0.2 2,-0.5 67,-0.1 -1,-0.3 0.626 115.2 61.1-101.6 -17.3 -0.3 -47.3 -2.6 4 5 A I < - 0 0 1 -3,-1.0 2,-1.9 2,-0.1 -1,-0.2 -0.948 67.7-151.4-120.1 109.8 -3.2 -44.9 -2.0 5 6 A G + 0 0 48 -2,-0.5 2,-0.3 -3,-0.1 -3,-0.1 -0.474 50.5 131.3 -79.0 71.7 -2.4 -41.6 -0.2 6 7 A A - 0 0 18 -2,-1.9 2,-0.2 -5,-0.2 -2,-0.1 -0.947 56.2-120.9-135.1 146.1 -5.8 -41.1 1.4 7 8 A E > - 0 0 144 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -0.548 54.5 -79.3 -81.1 146.1 -7.5 -40.3 4.8 8 9 A K T 3 S+ 0 0 195 1,-0.3 -1,-0.1 -2,-0.2 71,-0.1 -0.157 114.8 0.1 -50.7 121.8 -9.9 -42.8 6.3 9 10 A G T 3 S+ 0 0 61 1,-0.1 -1,-0.3 3,-0.1 4,-0.1 0.439 92.0 116.5 74.9 -3.0 -13.4 -42.5 4.7 10 11 A Q S < S+ 0 0 57 -3,-2.4 2,-0.4 2,-0.1 -2,-0.1 0.365 72.3 73.9 -66.6 3.3 -12.2 -39.7 2.4 11 12 A I S S- 0 0 8 -4,-0.2 37,-0.1 68,-0.1 4,-0.1 -0.983 89.3-119.5-123.9 135.4 -13.1 -42.5 -0.1 12 13 A A - 0 0 8 -2,-0.4 44,-0.1 2,-0.2 70,-0.1 -0.053 20.0-114.5 -69.0 166.5 -16.7 -43.5 -0.9 13 14 A D S S+ 0 0 95 42,-0.2 70,-3.1 68,-0.2 69,-1.5 0.751 106.5 55.5 -65.0 -24.5 -18.4 -46.9 -0.5 14 15 A T E -a 83 0A 9 41,-0.3 43,-3.0 68,-0.2 2,-0.4 -0.940 67.4-178.9-123.8 129.6 -18.6 -47.0 -4.3 15 16 A V E -ab 84 57A 0 68,-2.2 70,-2.8 -2,-0.4 2,-0.5 -0.991 19.0-146.0-134.6 129.4 -15.6 -46.7 -6.6 16 17 A L E -ab 85 58A 3 41,-2.4 43,-2.2 -2,-0.4 70,-0.2 -0.835 17.1-154.3 -94.7 132.6 -15.4 -46.7 -10.4 17 18 A L E +a 86 0A 0 68,-3.4 70,-0.8 -2,-0.5 43,-0.2 -0.694 17.6 173.1-117.7 80.1 -12.3 -48.4 -11.7 18 19 A P - 0 0 4 0, 0.0 43,-1.6 0, 0.0 44,-0.3 -0.497 35.1-130.9 -74.3 153.4 -11.1 -47.3 -15.1 19 20 A G S S+ 0 0 14 68,-0.3 43,-1.8 41,-0.2 69,-0.1 0.911 90.9 71.3 -68.5 -40.6 -7.7 -48.7 -16.2 20 21 A D > - 0 0 73 1,-0.1 4,-1.5 41,-0.1 3,-0.3 -0.637 67.8-155.2 -86.1 122.3 -6.5 -45.2 -17.2 21 22 A P H > S+ 0 0 26 0, 0.0 4,-1.0 0, 0.0 24,-0.2 0.608 98.4 55.1 -69.3 -11.5 -5.7 -42.8 -14.4 22 23 A L H > S+ 0 0 106 2,-0.2 4,-2.4 3,-0.1 5,-0.0 0.723 105.0 49.1 -91.1 -27.3 -6.4 -39.9 -16.9 23 24 A R H > S+ 0 0 102 -3,-0.3 4,-3.1 2,-0.2 5,-0.2 0.787 106.3 60.8 -75.6 -26.3 -9.9 -41.2 -17.8 24 25 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.948 106.6 43.8 -59.4 -50.4 -10.2 -41.3 -14.0 25 26 A K H >X S+ 0 0 87 -4,-1.0 4,-1.9 2,-0.2 3,-0.6 0.987 114.0 51.0 -51.1 -63.2 -9.6 -37.5 -14.1 26 27 A F H 3X S+ 0 0 84 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.873 107.9 51.3 -41.9 -56.9 -11.9 -37.1 -17.0 27 28 A I H 3X S+ 0 0 1 -4,-3.1 4,-0.9 2,-0.2 5,-0.3 0.859 111.5 48.0 -53.5 -43.2 -14.8 -39.0 -15.4 28 29 A A H XX S+ 0 0 0 -4,-1.6 4,-2.8 -3,-0.6 3,-1.1 0.993 116.0 41.5 -61.2 -64.0 -14.6 -37.0 -12.2 29 30 A E H 3< S+ 0 0 127 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.845 121.1 42.2 -50.5 -43.7 -14.5 -33.5 -13.8 30 31 A T H 3< S+ 0 0 82 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.512 128.8 22.7 -89.6 -6.3 -17.2 -34.4 -16.5 31 32 A Y H << S+ 0 0 30 -3,-1.1 2,-0.4 -4,-0.9 -2,-0.2 0.594 105.1 71.0-133.7 -19.2 -19.7 -36.3 -14.2 32 33 A L < - 0 0 10 -4,-2.8 2,-0.3 -5,-0.3 3,-0.2 -0.877 59.7-138.7-120.8 141.6 -19.3 -35.4 -10.5 33 34 A E E S+C 50 0A 138 17,-2.3 17,-2.7 -2,-0.4 -3,-0.0 -0.750 85.1 20.8 -95.0 142.8 -20.1 -32.4 -8.3 34 35 A N E S- 0 0 125 -2,-0.3 2,-0.6 15,-0.2 -1,-0.2 0.998 84.2-149.8 62.7 72.4 -17.7 -31.2 -5.6 35 36 A V E - 0 0 69 -3,-0.2 2,-0.3 14,-0.1 14,-0.2 -0.616 17.6-176.7 -83.4 113.7 -14.5 -32.9 -6.9 36 37 A E E -C 48 0A 65 12,-3.5 12,-1.5 -2,-0.6 2,-0.5 -0.743 15.9-149.2 -98.6 154.7 -11.9 -34.0 -4.3 37 38 A C E + 0 0 54 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.857 24.2 164.3-126.2 98.7 -8.6 -35.6 -5.2 38 39 A Y E + 0 0 13 -2,-0.5 2,-0.4 8,-0.5 9,-0.2 0.907 61.9 48.4 -77.2 -43.4 -7.4 -38.0 -2.5 39 40 A N E +C 46 0A 0 7,-0.8 7,-1.8 1,-0.1 -1,-0.1 -0.872 36.7 150.4-114.2 134.2 -4.6 -39.8 -4.4 40 41 A E > + 0 0 145 -2,-0.4 3,-1.3 5,-0.2 2,-0.2 0.177 37.6 131.1-130.7 9.5 -1.7 -38.6 -6.6 41 42 A V G > S- 0 0 58 3,-0.3 3,-1.8 1,-0.3 -2,-0.0 -0.501 85.6 -4.8 -70.5 130.5 0.7 -41.5 -5.9 42 43 A R G 3 S- 0 0 182 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.620 117.3 -79.6 63.2 15.3 2.2 -43.0 -9.1 43 44 A G G < S+ 0 0 26 -3,-1.3 2,-1.9 1,-0.2 -1,-0.3 0.499 98.3 135.9 69.9 2.9 -0.0 -40.6 -11.1 44 45 A M < - 0 0 22 -3,-1.8 -3,-0.3 17,-0.1 -1,-0.2 -0.567 50.4-150.8 -83.3 77.3 -2.7 -43.2 -10.4 45 46 A Y - 0 0 71 -2,-1.9 15,-1.6 -5,-0.2 2,-0.4 -0.155 16.4-164.0 -67.1 140.3 -5.2 -40.5 -9.6 46 47 A G E -CD 39 59A 0 -7,-1.8 -7,-0.8 13,-0.2 -8,-0.5 -0.964 9.8-176.9-122.8 140.3 -8.1 -41.0 -7.2 47 48 A F E - D 0 58A 18 11,-2.3 11,-2.8 -2,-0.4 2,-0.3 -0.962 13.4-162.5-137.9 150.4 -11.2 -38.8 -6.9 48 49 A T E +CD 36 57A 2 -12,-1.5 -12,-3.5 -2,-0.3 2,-0.3 -0.995 27.8 132.3-133.3 140.7 -14.3 -38.4 -4.8 49 50 A G E - D 0 56A 0 7,-2.2 7,-3.2 -2,-0.3 2,-0.3 -0.894 45.9 -90.9-162.3-171.5 -17.5 -36.4 -5.6 50 51 A T E -CD 33 55A 25 -17,-2.7 -17,-2.3 -2,-0.3 2,-0.3 -0.826 22.2-172.0-116.2 158.3 -21.2 -36.6 -5.6 51 52 A Y E > S- D 0 54A 51 3,-2.1 3,-1.7 -2,-0.3 -19,-0.1 -0.900 84.1 -5.9-150.0 126.4 -23.7 -37.6 -8.3 52 53 A K T 3 S- 0 0 175 -2,-0.3 3,-0.1 1,-0.3 -20,-0.0 0.842 133.5 -58.5 48.5 38.5 -27.5 -37.0 -7.8 53 54 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 -20,-0.0 -1,-0.3 0.282 114.9 117.4 83.3 -8.0 -26.4 -36.0 -4.3 54 55 A K E < S- D 0 51A 108 -3,-1.7 -3,-2.1 1,-0.1 2,-0.3 -0.683 70.2-108.9-100.1 143.8 -24.7 -39.4 -3.6 55 56 A K E + D 0 50A 110 -2,-0.3 2,-0.4 -5,-0.2 -41,-0.3 -0.564 40.4 174.1 -75.7 126.8 -21.0 -39.9 -2.9 56 57 A I E - D 0 49A 7 -7,-3.2 -7,-2.2 -2,-0.3 2,-0.3 -0.998 13.9-155.4-136.0 133.5 -19.0 -41.7 -5.7 57 58 A S E -bD 15 48A 0 -43,-3.0 -41,-2.4 -2,-0.4 2,-0.4 -0.734 0.3-157.2-109.5 160.5 -15.3 -42.3 -5.9 58 59 A V E +bD 16 47A 0 -11,-2.8 -11,-2.3 -2,-0.3 2,-0.4 -0.939 14.5 173.8-142.9 111.8 -13.1 -42.9 -9.0 59 60 A Q E - D 0 46A 0 -43,-2.2 -13,-0.2 -2,-0.4 2,-0.2 -0.985 25.2-135.3-126.8 129.6 -9.8 -44.7 -8.9 60 61 A G - 0 0 0 -15,-1.6 -41,-0.2 -2,-0.4 -40,-0.1 -0.505 14.1-166.9 -74.9 149.1 -7.5 -45.7 -11.8 61 62 A T - 0 0 0 -43,-1.6 10,-0.2 1,-0.3 -42,-0.2 0.575 23.3-135.4-112.7 -15.9 -6.2 -49.2 -11.6 62 63 A G - 0 0 9 -43,-1.8 2,-0.3 -44,-0.3 -1,-0.3 -0.344 43.4 -53.9 69.8-167.0 -3.4 -49.4 -14.1 63 64 A M S S+ 0 0 156 -2,-0.1 4,-0.4 4,-0.1 116,-0.1 -0.824 91.0 24.6-116.6 145.3 -3.2 -52.5 -16.4 64 65 A G S > S- 0 0 7 -2,-0.3 4,-2.0 114,-0.2 3,-0.3 0.070 87.4 -79.6 88.2 157.5 -3.1 -56.2 -15.8 65 66 A V H > S+ 0 0 4 90,-0.3 4,-2.6 1,-0.2 5,-0.2 0.896 123.7 56.3 -59.2 -46.6 -4.2 -58.3 -12.9 66 67 A P H > S+ 0 0 88 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.849 110.7 46.2 -60.0 -36.5 -1.3 -57.7 -10.6 67 68 A S H > S+ 0 0 29 -4,-0.4 4,-1.3 -3,-0.3 -2,-0.2 0.921 113.9 43.2 -70.0 -52.9 -1.9 -53.9 -10.8 68 69 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.913 108.9 61.4 -63.0 -35.3 -5.6 -53.7 -10.3 69 70 A S H X S+ 0 0 17 -4,-2.6 4,-2.5 -5,-0.3 5,-0.3 0.923 99.9 56.5 -54.5 -43.5 -5.2 -56.3 -7.5 70 71 A I H X S+ 0 0 62 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.923 113.2 37.3 -53.7 -49.5 -3.1 -53.8 -5.7 71 72 A Y H X S+ 0 0 9 -4,-1.3 4,-3.3 -10,-0.2 5,-0.3 0.902 114.1 54.0 -74.8 -40.1 -5.7 -51.1 -5.7 72 73 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.909 109.7 49.5 -61.0 -44.0 -8.7 -53.4 -5.1 73 74 A N H X S+ 0 0 39 -4,-2.5 4,-3.3 -5,-0.3 5,-0.3 0.949 115.2 41.3 -60.2 -52.4 -7.1 -54.9 -2.0 74 75 A E H X>S+ 0 0 26 -4,-1.8 4,-2.8 -5,-0.3 5,-0.8 0.946 113.8 52.6 -64.6 -46.8 -6.2 -51.6 -0.4 75 76 A L H X5S+ 0 0 0 -4,-3.3 6,-1.5 3,-0.2 4,-0.9 0.936 119.1 37.4 -50.7 -48.7 -9.5 -50.0 -1.3 76 77 A I H X5S+ 0 0 2 -4,-2.6 4,-0.9 -5,-0.3 -2,-0.2 0.979 125.0 35.7 -65.9 -58.3 -11.3 -52.9 0.3 77 78 A Q H <5S+ 0 0 138 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.815 128.0 31.6 -70.3 -38.4 -9.0 -53.6 3.3 78 79 A S H <5S+ 0 0 62 -4,-2.8 -1,-0.2 -5,-0.3 -3,-0.2 0.585 131.6 31.0-100.3 -15.1 -8.0 -50.1 4.3 79 80 A Y H < - 0 0 114 -2,-0.6 3,-0.6 1,-0.1 102,-0.1 -0.608 22.8-118.6 -97.4 152.4 -21.3 -54.9 -31.8 99 100 A V T 3 S+ 0 0 18 1,-0.3 101,-0.6 -2,-0.2 -1,-0.1 0.781 116.9 51.0 -57.1 -28.9 -19.2 -51.8 -31.3 100 101 A R T 3 S+ 0 0 110 99,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.833 86.6 110.4 -76.9 -32.9 -22.2 -50.1 -29.7 101 102 A D < - 0 0 21 -3,-0.6 2,-0.4 1,-0.1 99,-0.4 -0.012 60.0-145.0 -48.8 138.9 -22.9 -53.0 -27.3 102 103 A V E -g 147 0A 0 44,-1.1 46,-2.9 97,-0.1 2,-0.5 -0.932 20.3-137.4-105.5 134.6 -22.1 -52.4 -23.6 103 104 A I E -gH 148 198A 0 95,-3.2 95,-2.6 -2,-0.4 2,-0.6 -0.829 19.0-170.4-110.4 128.7 -20.8 -55.5 -21.9 104 105 A L E -gH 149 197A 0 44,-2.6 46,-1.2 -2,-0.5 2,-0.5 -0.947 20.9-144.4-110.5 110.7 -21.7 -56.9 -18.5 105 106 A A E -g 150 0A 0 91,-1.7 91,-0.5 -2,-0.6 46,-0.2 -0.621 19.7-178.5 -79.8 117.7 -19.3 -59.7 -17.4 106 107 A M E S- 0 0 85 44,-1.8 22,-2.4 -2,-0.5 2,-0.2 0.804 76.5 -22.3 -73.9 -31.5 -21.0 -62.4 -15.4 107 108 A T E - 0 0 42 43,-0.4 45,-1.0 20,-0.2 2,-0.3 -0.866 66.1-131.3-160.8 174.1 -17.6 -64.1 -15.2 108 109 A S E -g 152 0A 4 18,-0.3 45,-0.2 -2,-0.2 2,-0.2 -0.941 6.1-139.9-149.6 141.0 -14.2 -64.3 -16.9 109 110 A S E -g 153 0A 51 43,-2.4 45,-3.4 -2,-0.3 2,-0.3 -0.569 31.6-174.0 -75.1 150.6 -11.7 -66.8 -18.1 110 111 A T E -g 154 0A 38 43,-0.2 45,-0.2 -2,-0.2 68,-0.0 -0.990 38.2-157.3-144.4 155.9 -8.1 -66.0 -17.4 111 112 A D + 0 0 51 43,-1.3 44,-0.1 -2,-0.3 -1,-0.1 0.330 64.6 116.5-105.2 1.6 -4.7 -67.2 -18.2 112 113 A S - 0 0 12 42,-0.7 3,-0.4 1,-0.1 4,-0.3 -0.400 65.4-141.1 -62.8 145.2 -3.3 -65.4 -15.1 113 114 A Q S > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.1 5,-0.2 0.284 74.4 108.6 -93.0 12.5 -1.9 -67.8 -12.6 114 115 A M H > S+ 0 0 50 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.912 84.3 36.3 -54.3 -45.8 -3.4 -65.7 -9.8 115 116 A N H > S+ 0 0 10 -3,-0.4 4,-2.6 1,-0.2 3,-0.4 0.897 110.9 57.9 -77.5 -42.3 -6.1 -68.3 -8.9 116 117 A R H > S+ 0 0 150 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.785 102.3 58.3 -60.1 -29.7 -4.1 -71.5 -9.6 117 118 A V H < S+ 0 0 123 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.925 115.9 33.9 -60.1 -46.3 -1.6 -70.3 -7.0 118 119 A A H < S+ 0 0 76 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.812 132.5 27.6 -82.7 -32.2 -4.3 -70.2 -4.3 119 120 A F H < S- 0 0 97 -4,-2.6 2,-1.0 3,-0.2 -3,-0.2 0.706 77.7-169.7-107.8 -30.3 -6.5 -73.1 -5.4 120 121 A G S < S+ 0 0 48 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.605 77.4 27.6 81.1 -97.0 -4.2 -75.6 -7.2 121 122 A S S S+ 0 0 130 -2,-1.0 2,-0.5 2,-0.1 -1,-0.2 0.356 105.0 96.3 -81.4 1.9 -6.3 -78.3 -8.9 122 123 A V - 0 0 72 -7,-0.1 2,-0.9 -6,-0.1 -3,-0.2 -0.851 64.6-146.9-106.1 126.1 -9.3 -76.0 -9.3 123 124 A D - 0 0 134 -2,-0.5 2,-0.7 -4,-0.1 -2,-0.1 -0.849 33.0-151.0 -73.2 105.4 -10.4 -73.9 -12.3 124 125 A F - 0 0 67 -2,-0.9 -9,-0.1 1,-0.0 -8,-0.1 -0.805 7.1-155.0 -91.8 117.5 -11.9 -71.1 -10.2 125 126 A A - 0 0 75 -2,-0.7 -16,-0.1 -18,-0.1 -2,-0.0 -0.820 15.1-145.1 -93.7 103.4 -14.7 -69.4 -12.0 126 127 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -18,-0.3 -0.117 14.2-140.3 -63.1 165.7 -15.0 -65.8 -10.6 127 128 A C - 0 0 89 57,-0.2 67,-0.2 -20,-0.1 -20,-0.2 -0.962 8.3-136.4-144.0 120.7 -18.4 -64.1 -10.2 128 129 A A - 0 0 10 -22,-2.4 2,-0.4 -2,-0.4 67,-0.2 -0.367 43.4-102.9 -59.4 148.6 -20.0 -60.7 -10.7 129 130 A D > - 0 0 43 65,-2.9 4,-1.9 1,-0.1 5,-0.1 -0.671 27.9-144.3 -75.6 128.9 -22.3 -59.7 -7.9 130 131 A F H > S+ 0 0 146 -2,-0.4 4,-3.8 2,-0.2 5,-0.4 0.950 94.8 55.6 -64.2 -50.3 -25.9 -60.2 -9.2 131 132 A E H > S+ 0 0 113 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.939 113.1 42.9 -47.2 -57.2 -27.5 -57.2 -7.4 132 133 A L H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.870 118.1 47.0 -51.8 -41.2 -24.9 -54.9 -9.0 133 134 A L H X S+ 0 0 14 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.956 112.0 46.8 -74.5 -51.0 -25.3 -56.6 -12.3 134 135 A K H X S+ 0 0 107 -4,-3.8 4,-3.1 1,-0.2 5,-0.2 0.931 111.7 53.6 -52.1 -49.2 -29.1 -56.7 -12.4 135 136 A N H X S+ 0 0 51 -4,-2.6 4,-2.9 -5,-0.4 -1,-0.2 0.892 109.4 48.1 -56.4 -39.9 -29.1 -53.1 -11.4 136 137 A A H X S+ 0 0 0 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.918 111.1 50.0 -68.5 -39.7 -26.8 -52.3 -14.3 137 138 A Y H X S+ 0 0 100 -4,-2.5 4,-2.8 2,-0.2 3,-0.2 0.923 113.5 46.4 -61.9 -45.1 -29.0 -54.3 -16.7 138 139 A D H X S+ 0 0 63 -4,-3.1 4,-2.3 1,-0.2 5,-0.3 0.967 111.1 50.7 -59.7 -53.8 -32.1 -52.4 -15.5 139 140 A A H X S+ 0 0 17 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.2 0.704 114.1 48.6 -57.7 -19.5 -30.3 -49.1 -15.7 140 141 A A H X>S+ 0 0 0 -4,-1.1 5,-3.0 -3,-0.2 4,-1.0 0.930 111.5 44.5 -84.2 -51.9 -29.4 -50.1 -19.3 141 142 A K H <5S+ 0 0 94 -4,-2.8 -2,-0.2 3,-0.3 -3,-0.2 0.805 107.3 58.0 -67.5 -33.9 -32.8 -51.3 -20.6 142 143 A D H <5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.1 0.925 115.0 36.9 -63.6 -45.0 -34.8 -48.3 -19.2 143 144 A K H <5S- 0 0 119 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.649 118.8-121.0 -78.3 -15.2 -32.7 -45.8 -21.1 144 145 A G T <5 + 0 0 54 -4,-1.0 -3,-0.3 1,-0.2 -2,-0.1 0.779 48.3 170.2 83.8 31.3 -32.7 -48.5 -23.9 145 146 A V < - 0 0 6 -5,-3.0 2,-0.2 -6,-0.1 -1,-0.2 -0.496 42.3-108.2 -75.3 138.5 -28.9 -49.0 -24.2 146 147 A P + 0 0 43 0, 0.0 -44,-1.1 0, 0.0 2,-0.4 -0.504 51.8 174.7 -61.8 129.7 -27.6 -51.9 -26.3 147 148 A V E -g 102 0A 16 -2,-0.2 2,-0.4 -46,-0.2 -44,-0.2 -0.973 23.2-165.3-149.4 127.0 -26.3 -54.4 -23.7 148 149 A T E -g 103 0A 36 -46,-2.9 -44,-2.6 -2,-0.4 2,-0.5 -0.927 8.4-156.5-112.2 144.3 -24.8 -57.9 -23.8 149 150 A V E +g 104 0A 58 -2,-0.4 2,-0.2 -46,-0.2 -44,-0.2 -0.952 44.8 89.3-123.4 109.3 -24.4 -60.2 -20.8 150 151 A G E -g 105 0A 13 -46,-1.2 -44,-1.8 -2,-0.5 -43,-0.4 -0.862 69.3 -51.0-166.3-157.9 -21.8 -63.0 -20.9 151 152 A S E - 0 0 26 21,-0.3 23,-2.6 -2,-0.2 24,-0.5 -0.412 37.3-164.5 -93.9 165.1 -18.2 -63.8 -20.1 152 153 A V E -g 108 0A 0 -45,-1.0 -43,-2.4 21,-0.2 2,-0.4 -0.683 23.3-110.1-130.9-174.1 -14.9 -62.2 -21.0 153 154 A F E -gi 109 176A 9 22,-2.1 24,-2.1 -45,-0.2 2,-1.0 -0.943 14.8-154.6-132.0 111.8 -11.2 -63.1 -20.9 154 155 A T E -gi 110 177A 0 -45,-3.4 -43,-1.3 -2,-0.4 -42,-0.7 -0.741 26.1-167.8 -86.1 104.6 -8.7 -61.6 -18.5 155 156 A A - 0 0 3 22,-3.0 -90,-0.3 -2,-1.0 3,-0.1 -0.571 29.1-150.2 -96.5 157.2 -5.4 -62.0 -20.2 156 157 A D S S+ 0 0 66 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.599 86.1 52.1 -92.6 -17.5 -1.8 -61.5 -18.9 157 158 A Q - 0 0 124 1,-0.2 -1,-0.2 -93,-0.0 5,-0.1 -0.926 55.7-165.4-133.7 111.4 -0.4 -60.5 -22.3 158 159 A F S S+ 0 0 157 -2,-0.5 2,-0.5 1,-0.1 -1,-0.2 0.907 96.5 42.7 -51.3 -48.3 -1.8 -57.7 -24.6 159 160 A Y S S+ 0 0 193 2,-0.0 2,-0.2 3,-0.0 -1,-0.1 -0.924 86.4 155.6-100.9 125.6 0.4 -59.2 -27.4 160 161 A N - 0 0 66 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.725 67.6-105.4-132.2 176.4 0.1 -63.0 -27.3 161 162 A D - 0 0 131 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.723 59.9-160.7 -67.2 -28.0 0.5 -66.1 -29.5 162 163 A D > + 0 0 55 1,-0.1 4,-1.1 -5,-0.1 3,-0.4 0.533 45.2 138.0 64.4 14.5 -3.2 -65.4 -28.9 163 164 A S H > + 0 0 60 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.737 65.7 67.1 -55.8 -21.7 -4.2 -69.0 -29.9 164 165 A Q H > S+ 0 0 69 2,-0.2 4,-3.3 1,-0.2 3,-0.4 0.939 92.5 49.2 -71.1 -54.5 -6.6 -68.7 -26.9 165 166 A I H > S+ 0 0 10 -3,-0.4 4,-3.0 1,-0.3 5,-0.2 0.836 107.8 56.7 -62.8 -32.2 -9.1 -66.1 -28.0 166 167 A E H X S+ 0 0 89 -4,-1.1 4,-0.8 2,-0.2 -1,-0.3 0.903 115.3 38.6 -61.5 -41.4 -9.6 -67.9 -31.3 167 168 A K H < S+ 0 0 134 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.842 116.0 52.9 -73.5 -35.6 -10.5 -71.0 -29.2 168 169 A L H ><>S+ 0 0 32 -4,-3.3 5,-1.8 1,-0.2 3,-1.3 0.824 101.3 58.1 -72.9 -35.2 -12.4 -68.9 -26.6 169 170 A A H ><5S+ 0 0 16 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.873 98.7 62.4 -54.7 -39.9 -14.6 -67.1 -29.2 170 171 A K T 3<5S+ 0 0 181 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.573 104.2 48.8 -63.2 -12.4 -15.7 -70.7 -30.2 171 172 A Y T < 5S- 0 0 176 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.229 123.9-101.8-112.0 7.7 -17.1 -71.0 -26.6 172 173 A G T < 5 + 0 0 28 -3,-2.0 -21,-0.3 1,-0.3 -3,-0.2 0.590 62.6 158.5 86.1 11.0 -19.0 -67.6 -26.7 173 174 A V < - 0 0 5 -5,-1.8 -1,-0.3 1,-0.1 -21,-0.2 -0.473 31.4-149.8 -63.5 140.3 -16.6 -65.5 -24.7 174 175 A L - 0 0 18 -23,-2.6 -81,-3.0 1,-0.2 -80,-1.2 0.924 54.3 -20.6 -89.5 -46.0 -17.3 -61.9 -25.6 175 176 A G E -F 92 0A 0 -24,-0.5 -22,-2.1 -83,-0.3 2,-0.4 -0.960 54.4-109.2-161.6 169.7 -14.1 -60.0 -25.3 176 177 A V E +Fi 91 153A 30 -85,-2.3 -85,-2.6 -2,-0.3 2,-0.2 -0.931 39.1 143.0-117.5 131.4 -10.6 -59.7 -23.9 177 178 A E E - i 0 154A 9 -24,-2.1 -22,-3.0 -2,-0.4 -87,-0.1 -0.681 44.9-119.4-141.3-159.6 -9.3 -57.3 -21.2 178 179 A M S S+ 0 0 35 -24,-0.3 -114,-0.2 -2,-0.2 -24,-0.1 0.076 89.1 46.4-141.3 27.2 -6.8 -57.5 -18.4 179 180 A E S >> S+ 0 0 11 -116,-0.1 4,-1.6 -115,-0.1 3,-0.6 0.652 76.5 85.5-139.0 -36.0 -8.6 -56.8 -15.1 180 181 A T H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-0.4 0.856 87.7 52.4 -59.5 -52.8 -11.8 -58.5 -14.4 181 182 A T H 3> S+ 0 0 0 1,-0.2 4,-2.3 -72,-0.2 5,-0.3 0.900 111.8 51.9 -43.8 -46.1 -10.8 -61.9 -13.0 182 183 A A H <> S+ 0 0 0 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.885 112.2 44.3 -63.1 -43.4 -8.7 -60.0 -10.5 183 184 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.4 5,-0.3 0.986 113.9 48.1 -60.2 -58.2 -11.6 -57.7 -9.5 184 185 A Y H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.844 113.9 46.2 -58.7 -36.9 -14.2 -60.5 -9.2 185 186 A T H X S+ 0 0 12 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.935 114.9 43.8 -74.5 -48.9 -12.1 -62.8 -7.1 186 187 A L H X S+ 0 0 8 -4,-1.7 4,-1.4 -5,-0.3 6,-0.2 0.825 115.1 51.0 -65.8 -32.9 -10.8 -60.2 -4.6 187 188 A A H <>S+ 0 0 1 -4,-2.6 5,-2.3 -5,-0.2 -2,-0.2 0.935 112.3 45.7 -68.6 -48.8 -14.2 -58.7 -4.2 188 189 A A H ><5S+ 0 0 60 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.899 110.1 55.2 -60.2 -42.3 -15.8 -62.1 -3.6 189 190 A K H 3<5S+ 0 0 144 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.2 41.8 -58.2 -39.1 -13.0 -63.0 -1.1 190 191 A H T 3<5S- 0 0 48 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.223 116.3-106.9-102.0 13.8 -13.6 -60.0 1.1 191 192 A G T < 5S+ 0 0 66 -3,-1.2 -3,-0.2 1,-0.2 2,-0.1 0.629 75.8 132.8 76.8 13.6 -17.4 -60.0 1.0 192 193 A R < - 0 0 52 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.2 -0.424 58.5-111.2 -94.8 171.7 -17.7 -57.0 -1.3 193 194 A K E +e 83 0A 55 -111,-2.2 -109,-2.7 -2,-0.1 2,-0.3 -0.915 38.0 176.2-108.9 121.1 -19.8 -56.4 -4.4 194 195 A A E +e 84 0A 3 -2,-0.5 -65,-2.9 -67,-0.2 2,-0.3 -0.876 9.3 171.1-123.6 154.8 -18.0 -56.2 -7.8 195 196 A L E -e 85 0A 0 -111,-1.6 -109,-2.7 -2,-0.3 2,-0.5 -0.942 21.4-142.3-158.7 146.3 -19.0 -55.8 -11.4 196 197 A S E -e 86 0A 0 -91,-0.5 -91,-1.7 -2,-0.3 2,-0.5 -0.960 14.2-171.2-118.4 120.7 -17.2 -55.1 -14.6 197 198 A I E -eH 87 104A 0 -111,-2.9 -109,-1.2 -2,-0.5 2,-0.4 -0.953 15.0-178.7-116.8 123.3 -18.7 -52.9 -17.3 198 199 A L E -eH 88 103A 0 -95,-2.6 -95,-3.2 -2,-0.5 -109,-0.3 -0.943 21.6-157.6-136.5 140.0 -17.0 -52.7 -20.7 199 200 A T E -e 89 0A 9 -111,-1.4 -109,-2.3 -2,-0.4 2,-0.5 -0.537 39.5 -96.4-100.2 170.6 -17.2 -51.0 -24.1 200 201 A V E -e 90 0A 1 -101,-0.6 -109,-0.2 -99,-0.4 3,-0.1 -0.802 29.8-175.5 -92.2 130.0 -15.6 -52.3 -27.3 201 202 A S E - 0 0 38 -111,-2.3 2,-0.3 -2,-0.5 -110,-0.2 0.735 68.7 -43.6 -89.0 -31.3 -12.2 -50.8 -28.1 202 203 A D E -e 91 0A 47 -112,-0.6 -110,-2.2 7,-0.1 2,-0.6 -0.903 65.7 -85.4 176.9 168.1 -11.9 -52.6 -31.5 203 204 A H E > -e 92 0A 5 5,-0.5 3,-0.6 -2,-0.3 -110,-0.2 -0.879 31.1-162.7 -96.2 123.5 -12.6 -56.1 -32.9 204 205 A V T 3 S+ 0 0 69 -112,-2.4 2,-0.8 -2,-0.6 -111,-0.2 0.893 95.1 34.1 -74.9 -45.2 -9.5 -58.3 -32.4 205 206 A L T 3 S- 0 0 68 -113,-0.6 -1,-0.3 -111,-0.1 -112,-0.0 -0.729 119.1-120.5-103.4 74.4 -10.4 -60.9 -35.0 206 207 A T < + 0 0 93 -2,-0.8 3,-0.1 -3,-0.6 -2,-0.1 0.250 59.0 151.2 -39.3 118.7 -12.0 -58.1 -37.0 207 208 A G S S- 0 0 30 1,-0.6 2,-0.3 -113,-0.2 -1,-0.1 0.633 83.6 -18.7-102.6 -41.9 -15.7 -58.4 -37.8 208 209 A E S S- 0 0 136 -109,-0.0 -1,-0.6 -3,-0.0 -5,-0.5 -0.895 73.5-125.8-148.7 175.7 -16.0 -54.6 -37.8 209 210 A E - 0 0 112 -2,-0.3 2,-0.3 -7,-0.1 -110,-0.1 -0.804 15.7-110.2-130.9 175.6 -14.0 -51.6 -36.6 210 211 A T - 0 0 17 -2,-0.2 2,-0.2 -9,-0.2 -9,-0.0 -0.758 12.6-158.9-112.6 147.7 -14.2 -48.4 -34.4 211 212 A T > - 0 0 68 -2,-0.3 4,-1.1 1,-0.1 5,-0.1 -0.618 38.2-109.1-103.7 171.9 -14.1 -44.6 -34.9 212 213 A A H > S+ 0 0 73 -2,-0.2 4,-2.1 2,-0.2 5,-0.1 0.854 119.8 56.1 -67.3 -33.7 -13.3 -42.0 -32.3 213 214 A E H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 102.7 52.3 -63.8 -47.2 -17.0 -41.0 -32.3 214 215 A E H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.835 111.6 47.4 -60.1 -36.7 -18.3 -44.5 -31.5 215 216 A R H X S+ 0 0 100 -4,-1.1 4,-3.9 2,-0.2 5,-0.3 0.960 107.7 53.7 -68.9 -53.0 -16.0 -44.8 -28.5 216 217 A Q H X S+ 0 0 141 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.836 113.5 46.2 -48.7 -38.6 -17.0 -41.3 -27.1 217 218 A T H X S+ 0 0 50 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.954 117.0 39.7 -68.5 -55.3 -20.6 -42.4 -27.3 218 219 A T H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.840 113.8 55.8 -69.2 -36.8 -20.2 -45.9 -25.7 219 220 A F H X S+ 0 0 13 -4,-3.9 4,-2.1 2,-0.2 3,-0.4 0.992 114.0 38.0 -54.2 -66.1 -17.8 -44.6 -23.1 220 221 A H H X S+ 0 0 78 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.910 115.1 57.4 -48.0 -47.2 -20.2 -41.9 -21.9 221 222 A D H X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.894 107.4 46.8 -52.4 -46.6 -22.9 -44.5 -22.4 222 223 A M H X S+ 0 0 3 -4,-2.9 4,-2.5 -3,-0.4 -1,-0.2 0.846 107.1 55.7 -67.5 -40.5 -21.1 -46.9 -20.0 223 224 A I H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.935 108.3 49.6 -60.3 -46.4 -20.5 -44.4 -17.3 224 225 A D H X S+ 0 0 17 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.981 108.9 50.7 -52.8 -59.2 -24.2 -43.6 -17.1 225 226 A V H < S+ 0 0 3 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.866 114.6 45.6 -48.6 -43.1 -25.1 -47.3 -16.9 226 227 A A H >< S+ 0 0 1 -4,-2.5 3,-2.3 2,-0.2 -1,-0.2 0.993 113.1 48.4 -60.1 -62.8 -22.6 -47.6 -14.0 227 228 A L H >< S+ 0 0 10 -4,-3.1 3,-0.6 1,-0.3 -2,-0.2 0.837 112.1 47.6 -47.9 -48.3 -23.7 -44.4 -12.2 228 229 A H T 3< S+ 0 0 61 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.545 86.3 94.0 -73.4 -5.6 -27.5 -45.2 -12.4 229 230 A S T < 0 0 1 -3,-2.3 -1,-0.2 -4,-0.4 -93,-0.2 0.271 360.0 360.0 -70.4 13.9 -26.6 -48.8 -11.1 230 231 A V < 0 0 74 -3,-0.6 -1,-0.1 -95,-0.1 -98,-0.0 -0.922 360.0 360.0-153.7 360.0 -27.3 -47.5 -7.5