==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-FEB-99 1B8N . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.A.FEDOROV,G.A.KICSKA,E.V.FEDOROV,B.V.STROKOPYTOV,P.C.TYLER . 278 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 7.9 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 . 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 . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 0 0 0 0 3 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 1 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 1 1 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 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 Q 0 0 96 0, 0.0 147,-0.2 0, 0.0 146,-0.1 0.000 360.0 360.0 360.0 -86.1 -42.2 79.7 88.2 2 3 A N - 0 0 33 145,-1.2 144,-0.0 1,-0.2 90,-0.0 -0.363 360.0-160.6 -55.5 128.3 -44.9 77.0 88.7 3 4 A G + 0 0 47 2,-0.1 2,-0.4 145,-0.0 -1,-0.2 0.436 57.5 94.3 -94.5 -3.4 -43.8 74.9 91.6 4 5 A Y - 0 0 34 89,-0.0 2,-0.2 4,-0.0 -2,-0.0 -0.770 64.9-141.4 -94.5 137.3 -45.9 71.8 91.0 5 6 A T >> - 0 0 68 -2,-0.4 4,-1.3 1,-0.1 3,-1.0 -0.505 28.4-109.4 -88.0 160.3 -44.4 68.8 89.2 6 7 A Y H 3> S+ 0 0 43 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.930 122.7 56.2 -54.6 -41.3 -46.4 66.8 86.7 7 8 A E H 3> S+ 0 0 94 1,-0.2 4,-3.4 2,-0.2 -1,-0.3 0.755 97.5 61.9 -63.0 -27.3 -46.3 64.0 89.3 8 9 A D H <> S+ 0 0 34 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.926 106.7 44.1 -64.6 -45.1 -47.8 66.3 92.0 9 10 A Y H X S+ 0 0 2 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.878 115.5 49.9 -64.1 -42.1 -51.0 66.7 90.0 10 11 A Q H X S+ 0 0 71 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.960 107.1 53.4 -60.8 -53.9 -50.9 62.9 89.3 11 12 A D H X S+ 0 0 97 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.914 112.6 44.4 -47.8 -50.1 -50.4 62.1 93.0 12 13 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.890 112.5 49.7 -66.6 -39.2 -53.5 64.1 93.9 13 14 A A H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.877 111.3 52.3 -66.3 -34.4 -55.7 62.8 91.1 14 15 A K H X S+ 0 0 140 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.917 108.1 51.2 -64.4 -46.9 -54.6 59.3 92.2 15 16 A W H < S+ 0 0 55 -4,-2.3 3,-0.5 -5,-0.3 4,-0.5 0.954 113.1 43.6 -57.7 -51.8 -55.6 60.1 95.7 16 17 A L H >X S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 4,-0.8 0.912 110.4 55.0 -62.1 -43.8 -59.1 61.3 94.7 17 18 A L H 3< S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.783 110.9 46.3 -61.3 -27.8 -59.6 58.3 92.3 18 19 A S T 3< S+ 0 0 85 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.454 111.6 50.5 -94.6 -2.9 -58.9 55.9 95.1 19 20 A H T <4 S+ 0 0 84 -3,-1.3 2,-0.3 -4,-0.5 -2,-0.2 0.424 115.7 33.2-112.4 -3.1 -61.2 57.6 97.7 20 21 A T < - 0 0 10 -4,-0.8 -1,-0.2 -3,-0.1 25,-0.0 -0.977 59.9-147.1-148.2 148.7 -64.3 57.9 95.6 21 22 A E + 0 0 119 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.1 0.640 67.1 117.0 -88.9 -17.1 -65.9 55.7 92.9 22 23 A Q - 0 0 11 21,-0.1 -2,-0.1 1,-0.1 -3,-0.1 -0.186 47.8-166.6 -54.2 132.6 -67.2 58.9 91.3 23 24 A R - 0 0 129 83,-0.0 53,-0.2 54,-0.0 -1,-0.1 -0.716 17.1-156.3-123.4 82.3 -65.9 59.6 87.8 24 25 A P - 0 0 3 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.255 21.1-176.2 -64.0 140.5 -66.9 63.2 87.1 25 26 A Q S S+ 0 0 84 51,-2.9 83,-2.7 82,-0.2 84,-1.3 0.588 72.8 45.8-107.8 -17.6 -67.2 64.5 83.6 26 27 A V E -ab 77 109A 15 50,-1.6 52,-1.8 81,-0.2 2,-0.4 -0.949 65.7-157.1-130.5 145.5 -68.0 68.1 84.5 27 28 A A E -ab 78 110A 0 82,-2.3 84,-2.9 -2,-0.3 2,-0.4 -0.979 5.8-169.6-124.8 135.2 -66.4 70.5 87.0 28 29 A V E -ab 79 111A 0 50,-2.1 52,-3.1 -2,-0.4 2,-0.6 -0.981 8.5-156.7-124.9 131.5 -68.0 73.5 88.6 29 30 A I E -ab 80 112A 1 82,-1.9 84,-1.2 -2,-0.4 2,-0.7 -0.964 15.5-147.5-109.3 114.0 -66.1 76.1 90.6 30 31 A C E -a 81 0A 1 50,-3.2 52,-0.8 -2,-0.6 3,-0.1 -0.765 13.7-156.7 -90.5 114.7 -68.5 78.0 93.0 31 32 A G > - 0 0 1 -2,-0.7 3,-2.0 1,-0.2 83,-0.2 0.211 46.8 -32.6 -71.0-166.4 -67.5 81.6 93.7 32 33 A S T 3 S- 0 0 12 1,-0.3 -1,-0.2 83,-0.1 30,-0.1 -0.261 131.0 -2.0 -56.3 128.9 -68.4 83.9 96.6 33 34 A G T 3 S+ 0 0 10 29,-0.8 -1,-0.3 -3,-0.1 3,-0.2 0.659 108.3 102.4 64.3 18.6 -71.8 83.1 98.1 34 35 A L X + 0 0 0 -3,-2.0 3,-1.5 28,-0.4 -2,-0.1 0.195 36.8 110.2-116.8 17.8 -72.4 80.4 95.5 35 36 A G G > + 0 0 15 27,-0.3 3,-1.6 1,-0.3 4,-0.3 0.723 60.5 78.4 -66.2 -21.6 -71.7 77.3 97.6 36 37 A G G > + 0 0 19 1,-0.3 3,-1.4 -3,-0.2 -1,-0.3 0.652 68.6 84.4 -63.6 -14.0 -75.3 76.3 97.6 37 38 A L G < S+ 0 0 5 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.584 83.2 64.7 -65.2 -5.3 -74.9 74.9 94.0 38 39 A V G X S+ 0 0 19 -3,-1.6 3,-2.1 1,-0.2 -1,-0.3 0.809 79.1 86.3 -83.3 -31.1 -73.7 71.8 95.8 39 40 A N T < S+ 0 0 116 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.610 84.1 50.2 -44.2 -33.2 -77.0 71.2 97.5 40 41 A K T 3 S+ 0 0 109 -3,-0.3 -1,-0.3 -4,-0.3 33,-0.2 0.464 78.1 120.5 -93.4 -2.5 -78.7 69.1 94.8 41 42 A L < - 0 0 17 -3,-2.1 3,-0.3 31,-0.1 2,-0.3 -0.353 49.6-151.3 -64.7 138.7 -76.0 66.6 94.1 42 43 A T E S+C 71 0A 82 29,-2.3 29,-2.3 1,-0.2 3,-0.1 -0.785 78.3 22.7-107.6 156.2 -76.9 63.0 94.7 43 44 A Q E S- 0 0 132 -2,-0.3 -1,-0.2 27,-0.2 -21,-0.1 0.808 92.6-176.5 56.4 30.8 -74.5 60.2 95.7 44 45 A A E - 0 0 56 -3,-0.3 2,-0.4 27,-0.1 26,-0.2 -0.256 19.1-173.3 -64.5 135.6 -72.5 63.1 97.1 45 46 A Q E -C 69 0A 57 24,-2.2 24,-3.0 -3,-0.1 2,-0.3 -0.978 10.9-157.7-131.9 123.0 -69.1 62.5 98.6 46 47 A T E -C 68 0A 67 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.768 13.3-176.8-106.2 145.4 -67.3 65.4 100.2 47 48 A F E -C 67 0A 4 20,-2.1 20,-3.1 -2,-0.3 2,-0.3 -0.994 25.9-129.6-135.5 132.4 -63.7 66.0 100.9 48 49 A D E >> -C 66 0A 66 -2,-0.4 3,-1.9 18,-0.2 4,-0.6 -0.652 23.5-121.9 -78.5 146.0 -62.4 69.1 102.8 49 50 A Y G >4 S+ 0 0 1 16,-3.0 3,-1.2 -2,-0.3 6,-0.3 0.856 111.2 67.8 -56.1 -32.1 -59.6 70.9 100.9 50 51 A S G 34 S+ 0 0 91 15,-0.4 -1,-0.3 1,-0.3 16,-0.1 0.740 100.2 47.4 -59.4 -23.7 -57.5 70.3 104.1 51 52 A E G <4 S+ 0 0 88 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.538 91.6 88.1 -97.5 -9.8 -57.5 66.6 103.5 52 53 A I S X< S- 0 0 5 -3,-1.2 3,-1.4 -4,-0.6 -40,-0.1 -0.816 84.4-118.3 -92.5 120.8 -56.5 66.6 99.8 53 54 A P T 3 S+ 0 0 55 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.182 93.4 8.6 -55.9 149.9 -52.7 66.6 99.3 54 55 A N T 3 S+ 0 0 59 1,-0.2 43,-0.1 -43,-0.0 -45,-0.0 0.255 94.2 132.9 64.4 -12.7 -51.3 69.6 97.5 55 56 A F < - 0 0 22 -3,-1.4 -1,-0.2 -6,-0.3 40,-0.1 -0.429 53.1-131.4 -71.8 138.2 -54.7 71.5 97.6 56 57 A P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.222 27.0-113.1 -75.3-179.5 -54.6 75.2 98.7 57 58 A E - 0 0 68 -7,-0.1 2,-0.3 -2,-0.0 8,-0.1 -0.959 14.2-124.4-123.5 139.5 -57.1 76.3 101.3 58 59 A S + 0 0 12 -2,-0.4 26,-0.1 1,-0.1 -9,-0.0 -0.632 31.9 168.4 -77.2 129.4 -60.1 78.7 101.0 59 60 A T + 0 0 95 -2,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.218 43.3 101.2-125.1 11.3 -59.8 81.5 103.5 60 61 A V S > S- 0 0 15 23,-0.3 3,-1.4 3,-0.1 2,-0.1 -0.808 80.3-108.4 -99.9 138.8 -62.5 83.9 102.2 61 62 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -28,-0.1 -0.410 108.0 38.4 -63.0 136.9 -65.9 84.0 103.9 62 63 A G T 3 S+ 0 0 32 1,-0.1 -29,-0.8 -30,-0.1 2,-0.5 0.492 93.9 101.6 99.7 1.5 -68.5 82.4 101.6 63 64 A H < - 0 0 16 -3,-1.4 19,-0.2 -31,-0.1 -1,-0.1 -0.932 52.8-167.5-122.8 103.9 -66.0 79.7 100.5 64 65 A A - 0 0 49 -2,-0.5 18,-0.2 2,-0.1 -1,-0.1 0.830 28.9-135.6 -58.7 -37.6 -66.6 76.4 102.3 65 66 A G + 0 0 2 16,-2.1 -16,-3.0 1,-0.3 -15,-0.4 0.887 58.4 127.5 78.7 42.3 -63.3 74.9 101.1 66 67 A R E -CD 48 81A 105 15,-1.5 15,-2.8 -18,-0.3 2,-0.5 -0.961 52.7-144.3-133.5 145.0 -64.8 71.5 100.2 67 68 A L E -CD 47 80A 0 -20,-3.1 -20,-2.1 -2,-0.3 2,-0.5 -0.964 24.4-166.9-107.3 121.7 -64.6 69.4 97.0 68 69 A V E -CD 46 79A 1 11,-2.4 11,-2.5 -2,-0.5 2,-0.3 -0.951 8.3-166.1-120.2 119.2 -67.9 67.6 96.4 69 70 A F E +CD 45 78A 1 -24,-3.0 -24,-2.2 -2,-0.5 2,-0.3 -0.690 34.0 112.3 -94.7 154.9 -68.5 64.8 93.9 70 71 A G E - D 0 77A 0 7,-1.8 7,-2.2 -2,-0.3 2,-0.4 -0.979 62.5 -72.3 170.6-169.8 -72.0 63.7 93.0 71 72 A I E -CD 42 76A 35 -29,-2.3 -29,-2.3 -2,-0.3 2,-0.4 -0.944 36.3-175.9-115.9 135.6 -74.7 63.5 90.3 72 73 A L E > S- D 0 75A 6 3,-3.3 3,-2.5 -2,-0.4 -31,-0.1 -0.989 73.1 -21.3-136.7 120.1 -76.6 66.6 89.2 73 74 A N T 3 S- 0 0 87 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.876 128.2 -50.9 46.7 46.9 -79.4 66.3 86.6 74 75 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.099 116.8 113.7 83.7 -23.0 -78.0 63.0 85.5 75 76 A R E < - D 0 72A 81 -3,-2.5 -3,-3.3 200,-0.1 2,-0.7 -0.601 67.5-128.0 -89.0 141.5 -74.5 64.3 85.0 76 77 A A E + D 0 71A 11 -2,-0.3 -51,-2.9 -5,-0.2 -50,-1.6 -0.802 43.5 168.2 -84.8 117.6 -71.5 63.2 87.1 77 78 A C E -aD 26 70A 0 -7,-2.2 -7,-1.8 -2,-0.7 2,-0.4 -0.859 33.4-149.0-129.8 164.9 -69.8 66.4 88.5 78 79 A V E -aD 27 69A 0 -52,-1.8 -50,-2.1 -2,-0.3 2,-0.4 -0.995 22.9-156.4-132.8 129.3 -67.3 67.5 91.0 79 80 A M E -aD 28 68A 0 -11,-2.5 -11,-2.4 -2,-0.4 2,-1.0 -0.928 16.9-142.7-115.3 137.8 -67.8 71.0 92.5 80 81 A M E -aD 29 67A 2 -52,-3.1 -50,-3.2 -2,-0.4 2,-1.9 -0.868 17.5-161.8 -94.2 99.7 -65.3 73.3 94.1 81 82 A Q E S+aD 30 66A 23 -15,-2.8 -16,-2.1 -2,-1.0 -15,-1.5 -0.642 75.3 3.6 -84.4 81.1 -67.4 74.7 97.0 82 83 A G S S- 0 0 1 -2,-1.9 -52,-0.2 -52,-0.8 2,-0.2 -0.161 79.9-146.2 115.7 147.2 -65.2 77.6 97.4 83 84 A R - 0 0 1 -2,-0.1 2,-0.3 -54,-0.1 -23,-0.3 -0.665 14.3-102.5-132.8-170.6 -62.2 78.7 95.4 84 85 A F - 0 0 1 11,-0.3 2,-0.3 -2,-0.2 -26,-0.1 -0.896 27.1-161.8-122.9 151.8 -58.8 80.3 95.8 85 86 A H > > - 0 0 8 -2,-0.3 3,-1.1 1,-0.1 5,-0.9 -0.926 29.6-122.7-133.9 156.6 -57.6 83.8 94.9 86 87 A M G > 5S+ 0 0 42 132,-0.5 3,-2.0 -2,-0.3 4,-0.2 0.853 108.2 63.5 -62.2 -40.3 -54.4 85.7 94.3 87 88 A Y G 3 5S+ 0 0 64 108,-0.5 -1,-0.2 131,-0.3 109,-0.1 0.607 90.6 67.7 -63.9 -12.1 -55.1 88.2 97.1 88 89 A E G < 5S- 0 0 40 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.561 128.6 -92.4 -82.6 -9.8 -55.0 85.4 99.7 89 90 A G T < 5S+ 0 0 64 -3,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.413 84.3 134.0 112.5 5.9 -51.3 85.0 99.0 90 91 A Y < - 0 0 36 -5,-0.9 -1,-0.3 -4,-0.2 2,-0.1 -0.677 51.9-135.0 -93.4 131.2 -51.5 82.3 96.3 91 92 A P >> - 0 0 39 0, 0.0 3,-2.2 0, 0.0 4,-2.0 -0.515 36.9-105.1 -73.9 158.9 -49.5 82.5 93.1 92 93 A F H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.827 119.6 66.4 -57.4 -27.5 -51.7 81.6 90.1 93 94 A W H 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.778 107.4 41.0 -66.1 -20.8 -50.0 78.2 89.9 94 95 A K H X4 S+ 0 0 72 -3,-2.2 3,-1.4 2,-0.2 -2,-0.2 0.890 110.6 56.1 -87.1 -46.0 -51.6 77.3 93.3 95 96 A V H 3< S+ 0 0 3 -4,-2.0 -11,-0.3 1,-0.3 -2,-0.2 0.817 114.4 39.4 -52.4 -40.9 -54.9 78.9 92.6 96 97 A T T >X S+ 0 0 1 -4,-2.1 4,-1.1 -5,-0.2 3,-0.8 0.398 81.6 108.9 -93.2 -1.8 -55.4 76.8 89.4 97 98 A F H <> S+ 0 0 0 -3,-1.4 4,-1.6 1,-0.2 3,-0.4 0.882 76.8 53.9 -43.5 -49.0 -54.0 73.5 90.8 98 99 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.904 98.7 64.9 -56.7 -39.8 -57.5 71.8 91.0 99 100 A V H <> S+ 0 0 1 -3,-0.8 4,-1.7 1,-0.3 -2,-0.2 0.919 104.6 42.9 -51.4 -48.5 -58.1 72.6 87.3 100 101 A R H X S+ 0 0 13 -4,-1.1 4,-1.9 -3,-0.4 -1,-0.3 0.851 111.5 55.3 -69.0 -29.7 -55.3 70.4 86.1 101 102 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.930 104.7 54.3 -66.9 -38.9 -56.3 67.7 88.6 102 103 A F H X>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 4,-0.8 0.905 106.6 50.9 -59.6 -43.4 -59.8 67.8 87.1 103 104 A R H ><5S+ 0 0 74 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.920 110.9 48.4 -60.1 -42.5 -58.4 67.2 83.7 104 105 A L H 3<5S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 105.0 60.2 -67.7 -29.7 -56.4 64.2 85.1 105 106 A L H 3<5S- 0 0 12 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.686 125.4-100.5 -70.1 -20.4 -59.6 63.0 86.7 106 107 A G T <<5S+ 0 0 34 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.513 70.0 151.8 111.1 6.7 -61.3 62.7 83.3 107 108 A V < - 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0 0 39 68,-1.3 4,-0.8 -2,-1.0 -2,-0.1 -0.004 18.3-154.9 -34.0 116.1 -67.3 77.9 74.2 167 168 A R H >> S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 3,-0.7 0.889 90.4 58.7 -66.8 -41.5 -69.9 79.6 71.9 168 169 A D H >> S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.956 105.2 50.2 -52.6 -51.2 -72.1 76.5 71.7 169 170 A M H 3> S+ 0 0 43 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.701 108.4 51.8 -62.5 -24.8 -72.6 76.5 75.5 170 171 A R H X S+ 0 0 98 -4,-2.7 4,-2.8 1,-0.2 3,-0.5 0.960 108.9 58.0 -53.9 -57.5 -77.6 76.7 74.8 173 174 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.3 -1,-0.2 0.797 105.9 52.7 -43.9 -37.4 -77.3 78.6 78.1 174 175 A H H X>S+ 0 0 15 -4,-1.3 4,-0.9 -5,-0.3 3,-0.9 0.863 98.9 61.1 -65.8 -37.6 -82.8 80.4 80.4 178 179 A K H ><5S+ 0 0 145 -4,-1.3 3,-1.0 -3,-0.4 -2,-0.2 0.951 104.0 49.1 -53.6 -49.5 -85.9 80.7 78.3 179 180 A Q H 3<5S+ 0 0 133 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.696 96.5 76.2 -62.4 -21.6 -87.1 77.5 80.0 180 181 A M H <<5S- 0 0 18 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.895 92.5-137.3 -58.6 -42.9 -86.2 79.2 83.4 181 182 A G T <<5 + 0 0 62 -3,-1.0 2,-0.2 -4,-0.9 -3,-0.1 0.770 45.7 158.4 86.0 26.6 -89.2 81.4 83.4 182 183 A E < - 0 0 55 -5,-0.7 -1,-0.3 1,-0.1 4,-0.1 -0.609 41.4-143.9 -86.2 148.4 -87.1 84.4 84.6 183 184 A Q S S+ 0 0 169 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.986 86.3 57.0 -69.8 -65.0 -88.3 88.0 84.1 184 185 A R S S- 0 0 77 1,-0.1 -2,-0.1 3,-0.0 3,-0.0 -0.486 91.1-122.0 -73.0 132.9 -84.9 89.5 83.5 185 186 A E - 0 0 106 -2,-0.2 2,-0.7 1,-0.1 -57,-0.4 0.045 31.7 -87.5 -65.8 179.6 -82.9 88.0 80.6 186 187 A L - 0 0 5 -59,-0.1 -57,-0.2 -12,-0.1 -1,-0.1 -0.861 45.8-146.0 -96.5 113.1 -79.5 86.4 80.7 187 188 A Q E -h 129 0A 27 -59,-1.8 -57,-2.5 -2,-0.7 2,-0.3 -0.113 12.7-162.2 -70.2 174.5 -76.9 89.1 80.2 188 189 A E E +h 130 0A 48 -59,-0.3 2,-0.3 49,-0.0 -57,-0.2 -0.975 24.9 110.0-158.4 144.7 -73.6 88.5 78.4 189 190 A G E -h 131 0A 0 -59,-2.3 -57,-2.7 -2,-0.3 -56,-1.0 -0.996 57.6 -46.7 173.9-170.3 -70.3 90.3 78.3 190 191 A T E -h 133 0A 19 -2,-0.3 24,-3.0 22,-0.3 25,-1.4 -0.791 40.6-153.5 -95.4 126.9 -66.6 90.8 79.0 191 192 A Y E -hj 134 215A 0 -58,-2.3 -56,-1.9 -2,-0.4 2,-0.4 -0.847 6.4-157.6 -99.9 132.9 -65.2 90.0 82.6 192 193 A V E -hj 135 216A 0 23,-3.0 25,-2.1 -2,-0.4 2,-0.4 -0.923 4.7-155.1-112.9 134.7 -62.1 91.8 83.7 193 194 A M E +hj 136 217A 1 -58,-2.0 -56,-1.3 -2,-0.4 2,-0.3 -0.917 17.1 168.7-109.1 139.2 -59.9 90.4 86.5 194 195 A L - 0 0 29 23,-2.3 -2,-0.0 -2,-0.4 -58,-0.0 -0.866 42.4-101.6-135.1 172.3 -57.6 92.4 88.7 195 196 A G + 0 0 24 -2,-0.3 -108,-0.5 1,-0.1 -109,-0.1 0.899 60.5 151.3 -67.7 -49.9 -55.8 91.5 91.9 196 197 A G + 0 0 29 1,-0.1 -1,-0.1 -110,-0.1 3,-0.1 -0.366 45.1 162.1 85.8-165.4 -57.7 92.9 94.8 197 198 A P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 21,-0.0 -0.999 82.5 64.5 -81.8 -13.7 -58.5 92.6 97.8 198 199 A N S S- 0 0 100 1,-0.1 2,-0.1 0, 0.0 -2,-0.1 -0.351 88.4-112.7 -69.4 154.0 -59.5 96.2 98.0 199 200 A F - 0 0 75 1,-0.1 -1,-0.1 55,-0.1 -3,-0.0 -0.439 44.5 -81.8 -83.2 162.3 -62.5 97.4 95.9 200 201 A E - 0 0 40 -2,-0.1 54,-0.2 1,-0.1 2,-0.2 -0.087 33.0-129.5 -62.7 159.1 -62.1 99.8 93.0 201 202 A T > - 0 0 70 1,-0.1 4,-2.2 43,-0.1 5,-0.1 -0.454 34.5-102.8 -95.1 175.0 -61.9 103.6 93.2 202 203 A V H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.951 122.3 50.1 -67.1 -44.8 -64.1 105.7 91.0 203 204 A A H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.894 111.2 48.8 -59.0 -44.5 -61.3 106.5 88.5 204 205 A E H > S+ 0 0 79 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.967 110.2 51.6 -60.7 -50.8 -60.4 102.8 88.2 205 206 A C H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.907 112.2 45.3 -52.9 -48.1 -64.1 101.9 87.6 206 207 A R H X S+ 0 0 112 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.938 114.1 50.8 -63.4 -41.3 -64.4 104.4 84.8 207 208 A L H X S+ 0 0 96 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.930 109.6 49.0 -60.2 -50.4 -61.1 103.2 83.4 208 209 A L H ><>S+ 0 0 5 -4,-3.4 5,-1.4 1,-0.2 3,-1.0 0.895 110.4 50.5 -60.9 -41.7 -62.1 99.5 83.4 209 210 A R H ><5S+ 0 0 84 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.920 107.2 54.2 -63.3 -42.0 -65.4 100.2 81.7 210 211 A N H 3<5S+ 0 0 141 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.591 98.0 64.5 -68.2 -11.3 -63.7 102.2 79.0 211 212 A L T <<5S- 0 0 90 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.496 127.7-101.3 -84.1 -8.2 -61.4 99.1 78.5 212 213 A G T < 5S+ 0 0 40 -3,-2.1 2,-0.3 1,-0.3 -22,-0.3 0.707 73.3 147.2 96.4 24.5 -64.6 97.5 77.4 213 214 A A < - 0 0 0 -5,-1.4 -1,-0.3 -4,-0.1 -22,-0.2 -0.715 31.9-173.7 -97.1 146.0 -65.4 95.5 80.5 214 215 A D S S+ 0 0 13 -24,-3.0 -95,-3.6 1,-0.3 -94,-2.2 0.603 75.5 16.8-105.7 -22.3 -68.9 94.7 81.8 215 216 A A E -Fj 118 191A 0 -25,-1.4 -23,-3.0 -97,-0.3 2,-0.4 -0.991 64.9-152.4-153.3 150.5 -68.0 93.2 85.1 216 217 A V E +Fj 117 192A 4 -99,-2.0 -99,-2.1 -2,-0.3 2,-0.3 -0.970 22.2 149.2-131.9 139.3 -64.9 93.0 87.3 217 218 A G E - j 0 193A 8 -25,-2.1 -23,-2.3 -2,-0.4 -101,-0.1 -0.865 47.2-116.0-149.8-172.3 -63.6 90.5 89.8 218 219 A M S S+ 0 0 24 -2,-0.3 -132,-0.5 -25,-0.2 -131,-0.3 0.017 88.8 34.2-124.3 28.2 -60.5 89.0 91.4 219 220 A S S S+ 0 0 8 -134,-0.1 2,-2.7 -133,-0.1 -2,-0.1 -0.683 77.4 63.0-152.9-160.4 -60.8 85.4 90.2 220 221 A T S >> S+ 0 0 0 1,-0.2 4,-1.9 -2,-0.2 3,-1.1 -0.289 83.3 81.9 66.8 -59.6 -61.9 83.1 87.4 221 222 A V H 3> S+ 0 0 0 -2,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.862 91.4 49.1 -46.6 -49.0 -59.5 84.3 84.6 222 223 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.831 109.8 52.8 -64.9 -25.5 -56.5 82.2 85.7 223 224 A E H <> S+ 0 0 2 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.918 109.0 49.7 -72.5 -40.7 -58.6 79.1 86.0 224 225 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.873 108.4 52.5 -65.2 -42.4 -59.9 79.5 82.4 225 226 A I H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.929 113.7 43.5 -62.1 -44.3 -56.4 80.0 81.0 226 227 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.920 112.7 52.7 -68.1 -41.3 -55.3 76.8 82.7 227 228 A A H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 4,-0.2 0.949 112.8 44.2 -57.7 -50.1 -58.4 74.9 81.6 228 229 A R H ><5S+ 0 0 64 -4,-2.9 3,-2.0 3,-0.2 -1,-0.2 0.923 107.5 59.9 -61.7 -43.6 -57.9 76.0 78.0 229 230 A H H 3<5S+ 0 0 9 -4,-2.4 -73,-0.4 1,-0.3 -1,-0.2 0.915 111.3 40.0 -52.0 -44.3 -54.3 75.1 78.2 230 231 A C T 3<5S- 0 0 11 -4,-2.2 -1,-0.3 -75,-0.1 -2,-0.2 0.350 123.0-104.8 -92.1 11.3 -55.2 71.6 79.0 231 232 A G T < 5 + 0 0 43 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.597 63.2 155.0 83.2 15.2 -58.0 71.5 76.5 232 233 A L < - 0 0 0 -5,-2.8 2,-0.5 -6,-0.2 -123,-0.2 -0.431 48.0-117.8 -74.3 146.2 -61.1 71.7 78.8 233 234 A R E -e 109 0A 108 -125,-2.5 -123,-3.2 -2,-0.1 2,-0.4 -0.777 38.0-149.6 -82.5 127.9 -64.3 73.1 77.3 234 235 A V E +ei 110 165A 0 -70,-0.6 -68,-1.3 -2,-0.5 2,-0.4 -0.834 26.2 167.9-111.9 134.6 -65.1 76.3 79.3 235 236 A F E +e 111 0A 5 -125,-2.5 -123,-2.3 -2,-0.4 2,-0.3 -0.992 15.9 171.3-136.1 136.4 -68.4 78.0 80.3 236 237 A G E -e 112 0A 0 -105,-0.4 -105,-2.9 -2,-0.4 2,-0.3 -0.985 15.3-176.0-151.3 155.4 -68.7 80.7 82.8 237 238 A F E -eG 113 130A 0 -125,-1.9 -123,-1.1 -2,-0.3 2,-0.4 -0.995 14.7-143.9-149.5 151.7 -70.9 83.3 84.4 238 239 A S E -eG 114 129A 0 -109,-2.4 -109,-3.1 -2,-0.3 2,-0.6 -0.903 14.1-140.1-113.2 143.6 -70.8 86.1 86.9 239 240 A L E -eG 115 128A 0 -125,-2.6 -123,-2.4 -2,-0.4 2,-1.3 -0.908 27.0-126.8 -99.2 123.9 -73.6 86.9 89.3 240 241 A I E +e 116 0A 0 -113,-3.2 -114,-2.9 -2,-0.6 -113,-0.3 -0.670 36.9 173.4 -74.6 98.9 -73.7 90.7 89.4 241 242 A T E - 0 0 5 -125,-1.8 2,-0.3 -2,-1.3 -124,-0.2 0.679 61.0 -7.1 -83.2 -17.3 -73.5 91.2 93.2 242 243 A N E -e 117 0A 25 -126,-0.8 -124,-3.0 -3,-0.1 2,-0.6 -0.963 68.7-109.9-168.8 160.5 -73.2 94.9 93.3 243 244 A K E -e 118 0A 63 -2,-0.3 -124,-0.1 -126,-0.3 -126,-0.1 -0.922 40.6-119.9-103.6 119.3 -72.7 97.9 91.0 244 245 A V - 0 0 11 -126,-1.5 2,-0.4 -2,-0.6 -43,-0.1 -0.362 33.8-104.8 -61.1 136.8 -69.3 99.4 91.3 245 246 A I + 0 0 45 -45,-0.2 -40,-0.2 1,-0.1 -1,-0.1 -0.528 41.2 175.8 -65.3 115.6 -69.5 103.0 92.4 246 247 A M + 0 0 104 -2,-0.4 2,-0.3 -41,-0.1 -1,-0.1 0.115 55.4 61.3-113.0 25.2 -68.6 105.2 89.4 247 248 A D S > S- 0 0 50 3,-0.0 3,-0.6 1,-0.0 -1,-0.0 -0.995 74.7-127.3-151.7 145.1 -69.2 108.7 90.9 248 249 A Y T 3 S+ 0 0 154 -2,-0.3 -1,-0.0 1,-0.2 -3,-0.0 0.521 104.8 55.1 -69.1 -6.0 -67.7 110.8 93.7 249 250 A E T 3 S+ 0 0 168 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.791 74.5 114.4 -98.6 -27.8 -71.1 111.5 95.3 250 251 A S < - 0 0 45 -3,-0.6 -5,-0.0 1,-0.2 -3,-0.0 -0.121 53.0-157.0 -49.4 126.0 -72.4 108.0 95.8 251 252 A Q + 0 0 182 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.565 63.9 115.2 -78.2 -12.3 -72.7 107.2 99.5 252 253 A G - 0 0 38 -8,-0.0 2,-0.3 1,-0.0 -7,-0.0 -0.226 45.3-175.7 -60.6 148.1 -72.5 103.6 98.2 253 254 A K - 0 0 174 -9,-0.0 -2,-0.0 2,-0.0 -9,-0.0 -0.960 27.7-117.6-150.1 124.9 -69.5 101.4 99.1 254 255 A A + 0 0 27 -2,-0.3 2,-0.3 -54,-0.2 -55,-0.1 -0.327 40.1 176.5 -61.7 142.3 -68.8 98.0 97.8 255 256 A N > - 0 0 34 1,-0.1 4,-1.6 -2,-0.0 3,-0.2 -0.971 40.7-131.8-155.5 141.7 -68.7 95.3 100.6 256 257 A H H > S+ 0 0 42 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.777 105.1 63.0 -61.0 -28.6 -68.3 91.6 100.9 257 258 A E H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.956 106.0 42.2 -63.1 -51.4 -71.3 91.4 103.2 258 259 A E H > S+ 0 0 123 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.831 111.7 58.0 -63.1 -35.1 -73.7 92.6 100.5 259 260 A V H X S+ 0 0 9 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.940 108.0 44.2 -61.2 -48.4 -72.0 90.4 97.9 260 261 A L H X S+ 0 0 26 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.883 112.5 53.9 -65.0 -36.6 -72.6 87.2 99.9 261 262 A E H X S+ 0 0 94 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.941 108.1 48.2 -63.2 -46.4 -76.2 88.4 100.5 262 263 A A H X S+ 0 0 8 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.881 109.7 54.7 -61.8 -36.1 -76.8 88.8 96.8 263 264 A G H >X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.8 0.910 108.4 48.0 -62.9 -42.2 -75.3 85.4 96.2 264 265 A K H 3< S+ 0 0 109 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.909 108.5 53.5 -65.0 -42.0 -77.8 83.9 98.7 265 266 A Q H 3< S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.601 119.8 35.0 -69.9 -10.9 -80.7 85.6 97.1 266 267 A A H S+ 0 0 108 -4,-0.4 4,-2.0 2,-0.2 5,-0.2 0.957 110.1 42.1 -73.7 -57.7 -81.8 79.3 93.9 269 270 A K H > S+ 0 0 36 1,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.895 119.4 47.4 -54.8 -42.3 -82.1 80.7 90.4 270 271 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.857 104.6 61.7 -68.6 -36.6 -78.5 79.6 89.9 271 272 A E H X S+ 0 0 56 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.928 111.3 36.2 -55.0 -52.2 -79.3 76.2 91.4 272 273 A Q H X S+ 0 0 85 -4,-2.0 4,-3.6 2,-0.2 5,-0.4 0.906 114.4 56.0 -71.6 -42.7 -81.8 75.3 88.7 273 274 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.958 110.9 43.5 -55.2 -55.2 -80.0 77.0 85.8 274 275 A V H X S+ 0 0 2 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.849 118.8 45.5 -60.5 -35.5 -76.7 75.1 86.3 275 276 A S H < S+ 0 0 20 -4,-1.4 3,-0.4 -5,-0.3 -2,-0.2 0.915 114.3 44.6 -74.1 -48.6 -78.7 71.8 86.8 276 277 A L H < S+ 0 0 70 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.910 111.3 58.3 -59.5 -38.7 -81.0 72.2 83.9 277 278 A L H < 0 0 31 -4,-2.8 -1,-0.3 -5,-0.4 -2,-0.2 0.798 360.0 360.0 -59.1 -32.3 -77.8 73.3 82.1 278 279 A M < 0 0 33 -4,-0.7 -3,-0.0 -3,-0.4 -205,-0.0 -0.373 360.0 360.0 -61.9 360.0 -76.4 69.9 83.0