==== 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 HYDROLASE, LYASE/DNA 26-AUG-06 2I5W . COMPND 2 MOLECULE: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*A)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.BANERJEE,G.L.VERDINE . 311 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.7 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 . 4 1.3 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 1 1 1 2 0 3 3 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 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 1 1 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 . 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 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 9 A S 0 0 128 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.6 28.5 -14.4 37.3 2 10 A E + 0 0 168 4,-0.1 2,-0.3 9,-0.0 4,-0.1 0.261 360.0 72.6 -82.4 11.9 24.7 -14.7 37.5 3 11 A F S S+ 0 0 158 2,-0.1 159,-0.1 159,-0.0 0, 0.0 -0.875 84.2 14.9-127.2 159.6 25.0 -12.0 40.2 4 12 A G S S- 0 0 13 -2,-0.3 2,-0.2 157,-0.2 157,-0.0 -0.197 108.2 -21.6 73.9-171.7 25.8 -8.3 40.3 5 13 A H S S- 0 0 28 157,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.499 73.0-124.7 -73.8 139.9 25.8 -6.0 37.3 6 14 A R - 0 0 31 -2,-0.2 2,-0.3 -4,-0.1 37,-0.1 -0.374 16.2-152.3 -84.7 160.9 26.2 -7.8 33.9 7 15 A T >> - 0 0 40 1,-0.1 4,-0.9 -2,-0.1 3,-0.7 -0.966 27.3-120.9-130.8 146.6 28.7 -7.1 31.2 8 16 A L T 34 S+ 0 0 51 -2,-0.3 2,-0.9 1,-0.3 3,-0.5 0.897 115.1 50.2 -52.7 -40.4 28.3 -7.7 27.4 9 17 A A T 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 -0.511 113.2 40.3 -99.2 63.8 31.3 -10.1 27.7 10 18 A S T <4 S+ 0 0 62 -2,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.239 125.4 27.7-179.7 -8.5 30.2 -12.3 30.7 11 19 A T >< + 0 0 21 -4,-0.9 3,-1.8 -3,-0.5 -2,-0.1 -0.187 68.2 155.1-162.2 49.1 26.5 -12.8 30.0 12 20 A P G > + 0 0 81 0, 0.0 3,-2.2 0, 0.0 -3,-0.1 0.828 65.4 69.0 -51.3 -43.2 26.1 -12.6 26.2 13 21 A A G 3 S+ 0 0 71 1,-0.3 63,-0.7 63,-0.0 -5,-0.0 0.658 100.5 51.3 -55.7 -15.0 23.0 -14.7 26.0 14 22 A L G < S+ 0 0 29 -3,-1.8 2,-0.5 61,-0.2 55,-0.3 0.151 88.7 96.3-110.7 18.6 21.1 -11.9 27.7 15 23 A W < - 0 0 15 -3,-2.2 2,-0.2 61,-0.2 53,-0.2 -0.936 46.2-175.8-116.8 119.8 22.1 -8.9 25.6 16 24 A A E -A 67 0A 12 51,-2.3 51,-3.0 -2,-0.5 2,-0.4 -0.641 17.6-141.0-100.7 164.2 20.0 -7.6 22.7 17 25 A S E -A 66 0A 50 49,-0.2 49,-0.2 -2,-0.2 43,-0.1 -0.989 8.9-151.9-135.2 142.3 21.3 -4.8 20.5 18 26 A I E -A 65 0A 8 47,-2.6 47,-1.6 -2,-0.4 2,-0.4 -0.942 36.2-112.3-108.8 124.5 19.7 -1.7 18.9 19 27 A P E +A 64 0A 94 0, 0.0 45,-0.3 0, 0.0 44,-0.0 -0.423 59.8 147.8 -58.8 112.0 21.4 -0.6 15.6 20 28 A C - 0 0 3 43,-1.7 2,-0.1 -2,-0.4 -2,-0.1 -0.880 41.1-137.3-154.9 117.1 23.0 2.7 16.7 21 29 A P >> - 0 0 42 0, 0.0 3,-2.1 0, 0.0 4,-0.8 -0.482 24.4-122.5 -75.1 146.3 26.2 4.4 15.5 22 30 A R T 34 S+ 0 0 43 40,-2.0 41,-0.1 1,-0.3 40,-0.0 0.571 113.4 63.9 -63.1 -8.2 28.4 6.0 18.1 23 31 A S T 34 S+ 0 0 52 39,-0.3 95,-1.6 1,-0.2 -1,-0.3 0.709 102.5 48.0 -86.2 -22.7 27.9 9.2 16.1 24 32 A E T <4 S+ 0 0 23 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.582 127.7 12.1 -90.5 -14.0 24.2 9.1 16.9 25 33 A L < - 0 0 0 -4,-0.8 2,-0.4 94,-0.1 -1,-0.3 -0.920 48.0-174.1-167.4 138.6 24.9 8.5 20.6 26 34 A R >> - 0 0 71 92,-1.8 3,-2.9 -2,-0.3 4,-1.5 -0.828 10.9-163.4-136.9 95.0 27.5 8.5 23.3 27 35 A L H 3> S+ 0 0 2 -2,-0.4 4,-2.3 1,-0.3 3,-0.2 0.830 90.8 59.7 -45.1 -40.6 26.3 7.3 26.6 28 36 A D H 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.2 13,-0.0 0.675 110.1 43.0 -67.2 -15.4 29.4 8.8 28.3 29 37 A L H <4 S+ 0 0 21 -3,-2.9 -1,-0.2 89,-0.2 -2,-0.2 0.705 123.0 32.5-101.2 -24.2 28.3 12.2 27.1 30 38 A V H <>S+ 0 0 0 -4,-1.5 5,-0.5 -3,-0.2 6,-0.5 0.818 110.9 56.8-101.8 -36.7 24.5 12.1 27.7 31 39 A L T <5S+ 0 0 1 -4,-2.3 8,-0.3 -5,-0.2 5,-0.2 0.824 117.3 28.9 -68.2 -36.4 24.0 10.0 30.8 32 40 A P T 5S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.293 94.8 97.5-107.9 11.1 26.2 11.8 33.4 33 41 A S T 5S- 0 0 46 -3,-0.4 -2,-0.1 1,-0.1 4,-0.1 -0.084 106.1 -87.1 -91.7 33.3 25.8 15.3 31.9 34 42 A G T 5S+ 0 0 19 2,-0.4 3,-0.1 -3,-0.2 -3,-0.1 0.558 106.2 96.1 79.6 6.0 23.1 16.7 34.0 35 43 A Q S S-B 46 0A 27 3,-0.9 3,-2.7 -3,-0.2 -1,-0.1 -0.960 113.3 -62.3-138.8 153.3 31.5 -1.1 35.4 44 52 A P T 3 S- 0 0 112 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.080 119.7 -7.1 -42.5 120.2 33.7 0.4 32.6 45 53 A A T 3 S+ 0 0 52 1,-0.2 2,-0.5 -4,-0.1 15,-0.4 0.562 110.6 113.0 68.5 9.7 31.5 1.6 29.6 46 54 A H E < -B 43 0A 17 -3,-2.7 -3,-0.9 13,-0.1 2,-0.5 -0.960 49.0-164.3-117.1 124.0 28.5 0.0 31.2 47 55 A W E - C 0 58A 17 11,-3.0 11,-2.5 -2,-0.5 2,-0.4 -0.918 3.9-169.8-112.9 131.1 25.6 2.2 32.5 48 56 A S E +BC 40 57A 2 -8,-2.7 -8,-2.3 -2,-0.5 2,-0.3 -0.905 24.1 117.5-119.1 145.4 22.9 1.0 34.8 49 57 A G E - C 0 56A 1 7,-1.8 7,-2.5 -2,-0.4 2,-0.6 -0.969 60.5 -66.7 175.5 173.5 19.7 2.7 35.8 50 58 A V E + C 0 55A 19 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.728 47.9 164.3 -89.0 122.2 15.9 2.7 35.9 51 59 A L E > S- C 0 54A 10 3,-2.9 3,-0.9 -2,-0.6 34,-0.1 -0.999 71.5 -3.8-136.6 130.1 14.2 3.0 32.5 52 60 A A T 3 S- 0 0 54 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.894 130.2 -58.5 53.4 42.6 10.5 2.2 31.9 53 61 A D T 3 S+ 0 0 135 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.777 120.6 94.7 59.2 32.3 10.2 1.0 35.5 54 62 A Q E < S-C 51 0A 47 -3,-0.9 -3,-2.9 17,-0.1 2,-0.4 -0.985 78.0-108.9-147.2 153.4 13.0 -1.6 35.1 55 63 A V E +CD 50 70A 1 15,-1.2 15,-3.1 -2,-0.3 2,-0.3 -0.722 41.6 177.5 -88.0 132.0 16.7 -1.8 35.7 56 64 A W E -CD 49 69A 1 -7,-2.5 -7,-1.8 -2,-0.4 2,-0.4 -0.890 24.0-150.3-129.8 162.6 18.9 -1.8 32.6 57 65 A T E -CD 48 68A 0 11,-2.0 11,-1.8 -2,-0.3 2,-0.4 -0.997 19.0-168.3-130.8 132.3 22.5 -1.8 31.7 58 66 A L E +CD 47 67A 0 -11,-2.5 -11,-3.0 -2,-0.4 2,-0.3 -0.974 14.1 161.5-127.0 140.0 23.7 -0.2 28.5 59 67 A T E - D 0 66A 10 7,-2.0 7,-3.0 -2,-0.4 2,-0.3 -0.974 19.0-151.4-150.7 149.1 27.0 -0.4 26.7 60 68 A Q E - D 0 65A 34 -15,-0.4 5,-0.2 -2,-0.3 -2,-0.0 -0.950 14.7-172.5-132.1 151.7 27.9 0.4 23.1 61 69 A T - 0 0 72 3,-1.6 -1,-0.2 -2,-0.3 4,-0.1 0.688 60.3 -72.5-100.7 -97.3 30.4 -0.7 20.5 62 70 A E S S+ 0 0 107 -41,-0.1 -40,-2.0 -40,-0.0 -39,-0.3 0.562 122.6 17.6-137.2 -35.9 30.4 1.3 17.3 63 71 A E S S+ 0 0 125 -42,-0.2 -43,-1.7 -41,-0.1 2,-0.3 0.371 120.7 60.5-119.6 -2.1 27.3 0.4 15.2 64 72 A Q E -A 19 0A 52 -45,-0.3 -3,-1.6 -47,-0.0 2,-0.5 -0.905 60.1-149.9-130.7 157.1 25.3 -1.2 18.1 65 73 A L E -AD 18 60A 0 -47,-1.6 -47,-2.6 -2,-0.3 2,-0.5 -0.982 25.1-149.1-123.2 110.9 23.8 -0.3 21.4 66 74 A H E -AD 17 59A 24 -7,-3.0 -7,-2.0 -2,-0.5 2,-0.4 -0.734 17.5-175.0 -90.5 129.5 23.8 -3.3 23.7 67 75 A C E +AD 16 58A 0 -51,-3.0 -51,-2.3 -2,-0.5 2,-0.4 -0.955 12.9 179.3-127.4 142.0 21.0 -3.6 26.2 68 76 A T E - D 0 57A 0 -11,-1.8 -11,-2.0 -2,-0.4 2,-0.4 -0.998 14.2-153.1-138.7 137.8 20.2 -6.0 29.0 69 77 A V E - D 0 56A 3 -2,-0.4 2,-0.6 -55,-0.3 6,-0.3 -0.886 7.9-152.3-116.7 146.0 17.2 -5.7 31.4 70 78 A Y E D 0 55A 16 -15,-3.1 -15,-1.2 -2,-0.4 4,-0.0 -0.934 360.0 360.0-114.7 105.4 16.7 -7.0 35.0 71 79 A R 0 0 127 -2,-0.6 -17,-0.1 -17,-0.1 3,-0.0 -0.654 360.0 360.0 -87.7 360.0 13.0 -7.7 35.6 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 84 A Q 0 0 223 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.8 13.5 -15.9 34.5 74 85 A A + 0 0 71 -4,-0.0 2,-0.3 -3,-0.0 -4,-0.1 -0.105 360.0 142.8 -53.0 141.1 16.5 -14.2 32.9 75 86 A S - 0 0 53 -6,-0.3 -6,-0.3 -61,-0.1 -61,-0.2 -0.890 53.6 -80.9-176.6 146.8 16.5 -13.6 29.1 76 87 A R - 0 0 122 -63,-0.7 -61,-0.2 -2,-0.3 -8,-0.1 -0.041 68.2 -76.4 -49.7 157.1 17.7 -11.0 26.6 77 88 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -60,-0.1 -0.218 49.7-123.3 -57.7 146.9 15.4 -8.0 26.1 78 89 A T > - 0 0 54 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.342 27.9-100.2 -84.9 172.7 12.2 -8.5 24.1 79 90 A P H > S+ 0 0 106 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.900 123.1 49.0 -58.8 -44.6 11.3 -6.5 21.0 80 91 A D H > S+ 0 0 129 1,-0.2 4,-0.9 2,-0.2 0, 0.0 0.861 109.3 53.3 -64.0 -39.7 8.9 -4.3 22.9 81 92 A E H >> S+ 0 0 30 2,-0.2 4,-1.3 1,-0.2 3,-1.0 0.937 108.0 46.6 -64.1 -50.8 11.4 -3.6 25.6 82 93 A L H 3X S+ 0 0 25 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.856 105.9 62.7 -60.7 -32.8 14.3 -2.4 23.4 83 94 A E H 3X S+ 0 0 69 -4,-1.4 4,-2.1 1,-0.3 -1,-0.3 0.831 98.8 55.0 -61.0 -31.4 11.6 -0.3 21.7 84 95 A A H S+ 0 0 82 -4,-1.9 5,-1.6 2,-0.2 -2,-0.2 0.947 108.8 47.3 -62.1 -50.8 14.6 3.6 21.5 87 98 A K H ><5S+ 0 0 138 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.890 108.5 55.0 -57.2 -44.0 11.9 6.0 22.7 88 99 A Y H 3<5S+ 0 0 28 -4,-2.2 35,-2.7 1,-0.3 -1,-0.2 0.861 113.7 40.4 -60.8 -38.5 14.0 7.1 25.7 89 100 A F T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 33,-0.2 -2,-0.2 0.271 103.8-133.0 -94.4 11.5 16.9 8.1 23.5 90 101 A Q T X 5 + 0 0 33 -3,-1.4 3,-1.0 1,-0.1 -3,-0.2 0.878 39.0 172.2 36.0 59.7 14.6 9.6 20.9 91 102 A L T 3 < + 0 0 14 -5,-1.6 -1,-0.1 1,-0.2 4,-0.1 0.757 63.7 71.2 -71.5 -26.0 16.5 7.8 18.2 92 103 A D T 3 S+ 0 0 128 -6,-0.2 2,-1.0 1,-0.1 -1,-0.2 0.762 82.7 87.5 -60.8 -19.6 14.2 8.6 15.3 93 104 A V S < S- 0 0 30 -3,-1.0 2,-0.6 -4,-0.1 -1,-0.1 -0.714 81.5-145.1 -81.8 103.3 15.7 12.1 15.8 94 105 A T > - 0 0 62 -2,-1.0 4,-1.6 1,-0.2 3,-0.3 -0.598 14.1-165.3 -76.9 116.2 18.8 11.9 13.6 95 106 A L H > S+ 0 0 2 -2,-0.6 4,-3.2 1,-0.2 5,-0.3 0.819 86.6 65.6 -68.3 -32.6 21.7 13.9 15.0 96 107 A A H > S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.909 107.2 44.1 -55.8 -40.6 23.7 13.8 11.7 97 108 A Q H > S+ 0 0 120 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.893 114.1 48.4 -71.1 -41.6 20.9 15.9 10.3 98 109 A L H X S+ 0 0 27 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.895 111.9 48.3 -67.3 -40.5 20.7 18.3 13.3 99 110 A Y H X S+ 0 0 29 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.882 109.3 53.9 -66.8 -38.9 24.4 18.9 13.5 100 111 A H H X S+ 0 0 131 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.930 111.4 46.5 -60.7 -45.2 24.5 19.6 9.8 101 112 A H H X S+ 0 0 85 -4,-1.9 4,-0.7 2,-0.2 3,-0.2 0.964 114.4 43.3 -62.8 -56.8 21.8 22.2 10.2 102 113 A W H >X S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.2 4,-1.0 0.908 114.5 53.0 -57.9 -40.9 23.2 24.1 13.2 103 114 A G H 3< S+ 0 0 4 -4,-2.4 7,-0.3 -5,-0.2 3,-0.3 0.873 104.4 54.4 -62.6 -37.5 26.7 23.9 11.7 104 115 A S H 3< S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.571 117.9 35.2 -74.6 -9.1 25.5 25.5 8.4 105 116 A V H << S+ 0 0 65 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 0.385 121.0 47.6-121.0 -3.2 24.0 28.5 10.2 106 117 A D X - 0 0 10 -4,-1.0 4,-1.9 -3,-0.3 3,-0.3 -0.872 58.1-171.2-142.8 102.4 26.5 28.8 13.0 107 118 A S H > S+ 0 0 104 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.731 90.2 57.4 -67.6 -21.6 30.2 28.7 12.0 108 119 A H H > S+ 0 0 36 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.853 105.9 47.3 -75.6 -36.2 31.2 28.5 15.7 109 120 A F H > S+ 0 0 2 -3,-0.3 4,-3.0 -7,-0.2 5,-0.3 0.891 104.0 68.7 -67.7 -36.8 29.1 25.4 16.2 110 121 A Q H X S+ 0 0 116 -4,-1.9 4,-0.7 -7,-0.3 -2,-0.2 0.920 109.2 29.0 -43.8 -63.5 30.8 24.2 13.1 111 122 A E H >X S+ 0 0 81 -4,-1.4 3,-1.8 1,-0.2 4,-0.5 1.000 122.4 47.9 -64.3 -69.4 34.3 23.9 14.6 112 123 A V H >< S+ 0 0 40 -4,-1.4 3,-0.6 1,-0.3 -2,-0.2 0.778 107.5 56.1 -41.3 -43.4 33.4 23.1 18.3 113 124 A A H >< S+ 0 0 5 -4,-3.0 3,-1.7 -5,-0.2 -1,-0.3 0.710 87.1 77.1 -69.9 -22.5 30.8 20.4 17.4 114 125 A Q H X< S+ 0 0 66 -3,-1.8 3,-0.6 -4,-0.7 -1,-0.2 0.908 97.2 46.3 -54.1 -44.6 33.2 18.2 15.4 115 126 A K T << S+ 0 0 72 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.368 111.4 54.4 -82.1 5.6 34.8 16.8 18.5 116 127 A F T < + 0 0 56 -3,-1.7 3,-0.5 -4,-0.1 -1,-0.2 -0.153 66.5 152.8-136.6 47.8 31.5 16.2 20.3 117 128 A Q < + 0 0 99 -3,-0.6 -93,-0.1 1,-0.2 3,-0.1 -0.087 53.2 51.6 -66.9 172.0 29.2 14.0 18.3 118 129 A G + 0 0 0 -95,-1.6 -92,-1.8 1,-0.2 2,-0.7 0.606 68.6 137.5 76.4 12.4 26.6 11.7 19.9 119 130 A V + 0 0 4 -3,-0.5 2,-0.2 -94,-0.2 -1,-0.2 -0.834 22.8 149.9 -97.2 113.6 25.0 14.4 22.1 120 131 A R - 0 0 0 -2,-0.7 2,-0.4 -94,-0.1 -30,-0.1 -0.740 45.0 -95.4-130.3 178.5 21.2 14.1 22.1 121 132 A L - 0 0 3 -2,-0.2 2,-0.3 -31,-0.1 181,-0.1 -0.850 29.9-131.5-104.9 134.8 18.3 14.8 24.5 122 133 A L - 0 0 0 -2,-0.4 2,-1.3 -92,-0.1 -33,-0.2 -0.631 14.3-132.8 -82.0 137.5 16.8 12.1 26.7 123 134 A R - 0 0 73 -35,-2.7 124,-0.2 -2,-0.3 -33,-0.1 -0.748 41.4-178.5 -92.1 91.1 13.0 11.9 26.7 124 135 A Q - 0 0 7 122,-2.5 -88,-0.0 -2,-1.3 -3,-0.0 -0.327 31.9 -92.1 -89.2 170.3 12.3 11.7 30.4 125 136 A D > - 0 0 69 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.665 33.0-127.9 -83.2 132.5 9.3 11.4 32.6 126 137 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.811 104.6 48.1 -47.4 -44.6 7.7 14.8 33.8 127 138 A I H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.964 111.0 49.0 -67.1 -51.4 7.6 14.0 37.5 128 139 A E H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.944 116.5 45.0 -52.7 -49.1 11.2 12.8 37.7 129 140 A C H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.939 109.0 55.5 -59.9 -50.7 12.3 15.9 35.8 130 141 A L H X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.941 118.4 31.2 -48.1 -59.6 10.2 18.3 37.9 131 142 A F H X S+ 0 0 1 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.807 117.3 55.1 -75.0 -30.6 11.6 17.3 41.3 132 143 A S H >X S+ 0 0 2 -4,-2.5 3,-0.8 -5,-0.4 4,-0.7 0.979 114.3 42.8 -64.1 -50.0 15.1 16.4 40.1 133 144 A F H 3< S+ 0 0 7 -4,-3.2 4,-0.4 -5,-0.3 -2,-0.2 0.676 105.1 61.7 -70.6 -17.0 15.3 19.9 38.6 134 145 A I H >< S+ 0 0 3 -4,-1.0 3,-0.6 -5,-0.3 -1,-0.3 0.824 105.7 50.1 -74.4 -28.4 13.7 21.6 41.6 135 146 A C H << S+ 0 0 1 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.2 0.659 92.8 76.0 -79.7 -18.3 16.7 20.2 43.5 136 147 A S T >< + 0 0 20 -4,-0.7 3,-1.4 3,-0.1 -1,-0.2 0.709 67.3 121.1 -66.4 -21.6 19.2 21.6 40.9 137 148 A S T < S- 0 0 49 -3,-0.6 3,-0.1 -4,-0.4 56,-0.1 -0.169 90.3 -8.9 -49.1 128.9 18.7 25.1 42.3 138 149 A C T 3 S+ 0 0 114 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.896 121.9 105.8 47.1 47.4 22.0 26.7 43.5 139 150 A N < - 0 0 40 -3,-1.4 2,-0.3 4,-0.0 -1,-0.2 -0.756 62.4-124.6-142.9-173.7 23.6 23.3 43.0 140 151 A N > - 0 0 81 -2,-0.2 4,-3.2 -3,-0.1 5,-0.2 -0.924 34.7-104.8-136.3 161.3 25.9 20.9 41.0 141 152 A I H > S+ 0 0 71 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.867 117.4 51.7 -55.2 -43.7 25.5 17.5 39.3 142 153 A A H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.936 117.1 39.6 -60.5 -46.2 27.5 15.6 41.9 143 154 A R H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.898 114.7 51.6 -71.8 -41.3 25.3 17.1 44.7 144 155 A I H X S+ 0 0 10 -4,-3.2 4,-3.1 1,-0.2 5,-0.3 0.946 109.6 51.6 -59.8 -47.5 22.0 16.9 42.8 145 156 A T H X S+ 0 0 24 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.882 109.8 48.9 -56.2 -42.1 22.7 13.2 42.0 146 157 A G H X S+ 0 0 16 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.906 113.4 46.9 -65.9 -41.4 23.4 12.5 45.7 147 158 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.941 113.6 46.4 -64.9 -50.2 20.2 14.3 46.8 148 159 A V H X S+ 0 0 3 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.812 109.7 56.0 -62.1 -32.9 18.0 12.6 44.1 149 160 A E H X S+ 0 0 98 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.886 110.8 42.9 -67.3 -40.7 19.5 9.2 45.0 150 161 A R H X S+ 0 0 92 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.848 110.3 57.0 -74.5 -34.0 18.6 9.5 48.7 151 162 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.906 111.4 42.2 -62.8 -42.4 15.1 10.9 47.8 152 163 A C H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.821 111.5 54.6 -74.7 -32.0 14.3 7.8 45.7 153 164 A Q H < S+ 0 0 56 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.902 115.3 42.6 -66.6 -35.9 15.9 5.5 48.3 154 165 A A H < S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.912 134.4 10.9 -77.1 -45.6 13.5 7.1 50.8 155 166 A F H < S+ 0 0 45 -4,-2.6 17,-0.4 -5,-0.1 -3,-0.2 0.454 100.1 102.2-117.2 -0.9 10.2 7.4 48.9 156 167 A G S < S- 0 0 12 -4,-1.9 14,-0.2 -5,-0.3 2,-0.1 -0.574 77.1-102.1 -88.8 150.1 10.7 5.3 45.8 157 168 A P - 0 0 78 0, 0.0 12,-2.6 0, 0.0 2,-0.4 -0.419 42.1-112.2 -64.5 136.8 9.3 1.7 45.2 158 169 A R E +E 168 0B 149 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.589 39.9 175.7 -74.1 125.7 12.0 -0.9 45.6 159 170 A L E - 0 0 45 8,-3.4 2,-0.3 -2,-0.4 -1,-0.2 0.877 49.1 -45.7 -93.7 -80.1 12.7 -2.5 42.2 160 171 A I E - 0 0 35 7,-0.3 7,-2.7 2,-0.0 2,-0.4 -0.906 46.7-117.4-147.9 176.5 15.6 -5.0 42.5 161 172 A Q E -E 166 0B 109 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.981 19.0-177.7-129.4 126.2 19.1 -5.3 43.9 162 173 A L E > -E 165 0B 13 3,-2.2 3,-2.5 -2,-0.4 -157,-0.1 -0.985 69.5 -39.5-120.4 125.5 22.4 -5.8 42.0 163 174 A D T 3 S- 0 0 100 -2,-0.5 -159,-0.1 1,-0.3 -2,-0.0 -0.382 125.0 -28.0 56.5-127.5 25.6 -6.2 44.1 164 175 A D T 3 S+ 0 0 144 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.051 117.6 101.0-107.3 27.0 25.1 -3.8 47.0 165 176 A V E < -E 162 0B 40 -3,-2.5 -3,-2.2 2,-0.0 2,-0.7 -0.944 54.2-162.2-113.7 118.4 23.0 -1.4 45.0 166 177 A T E -E 161 0B 58 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.889 15.4-145.6-102.8 116.1 19.2 -1.4 45.6 167 178 A Y E - 0 0 19 -7,-2.7 -8,-3.4 -2,-0.7 2,-0.3 -0.574 15.7-171.0 -83.4 142.4 17.3 0.3 42.7 168 179 A H E -E 158 0B 34 -10,-0.3 -10,-0.2 -2,-0.2 -118,-0.1 -0.936 23.1-119.4-129.0 152.1 14.1 2.3 43.4 169 180 A G - 0 0 9 -12,-2.6 3,-0.1 -2,-0.3 -14,-0.1 -0.452 50.1 -84.3 -81.7 164.0 11.6 3.8 41.0 170 181 A F - 0 0 28 -14,-0.2 -1,-0.1 -2,-0.1 -42,-0.1 -0.450 58.9 -94.0 -68.0 143.2 11.1 7.5 41.2 171 182 A P - 0 0 1 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.168 39.5-120.2 -56.8 150.7 8.7 8.5 44.0 172 183 A S > - 0 0 56 -17,-0.4 4,-1.8 -3,-0.1 5,-0.2 -0.327 26.5-104.0 -83.5 172.8 5.0 8.9 43.1 173 184 A L H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.941 120.6 49.4 -63.3 -49.6 3.1 12.2 43.6 174 185 A Q H > S+ 0 0 118 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.825 108.1 56.2 -61.0 -31.6 1.2 11.0 46.6 175 186 A A H >4 S+ 0 0 29 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.950 111.9 40.4 -66.0 -48.1 4.4 9.8 48.2 176 187 A L H 3< S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.748 114.0 54.8 -72.0 -24.6 6.1 13.2 47.9 177 188 A A H 3< S+ 0 0 15 -4,-2.0 -1,-0.2 24,-0.2 -2,-0.2 0.563 88.1 114.1 -84.5 -8.9 2.8 14.9 49.0 178 189 A G S X< S- 0 0 15 -3,-0.8 3,-1.2 -4,-0.7 24,-0.1 0.025 78.7 -72.4 -59.1 166.5 2.6 12.8 52.1 179 190 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.356 110.3 2.4 -66.3 139.1 2.9 14.1 55.7 180 191 A E T 3> S+ 0 0 161 -3,-0.1 4,-1.7 1,-0.1 5,-0.1 0.664 82.2 133.6 61.3 22.5 6.3 15.2 57.1 181 192 A V H <> S+ 0 0 4 -3,-1.2 4,-2.6 2,-0.2 5,-0.2 0.875 70.3 54.9 -67.6 -34.8 8.1 14.6 53.8 182 193 A E H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.967 106.7 47.8 -62.1 -54.1 9.8 17.9 54.1 183 194 A A H > S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.885 114.6 49.4 -53.5 -38.8 11.3 17.2 57.5 184 195 A H H < S+ 0 0 84 -4,-1.7 4,-0.4 1,-0.2 3,-0.3 0.902 110.1 48.9 -68.7 -41.3 12.4 13.9 56.2 185 196 A L H <>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-0.4 0.779 105.6 57.9 -70.1 -27.1 14.0 15.4 53.0 186 197 A R H ><5S+ 0 0 127 -4,-2.2 3,-1.3 1,-0.2 5,-0.3 0.809 101.0 56.5 -72.7 -27.0 15.8 18.0 55.1 187 198 A K T 3<5S+ 0 0 189 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.661 102.4 57.4 -74.7 -15.2 17.4 15.1 57.0 188 199 A L T 3 5S- 0 0 34 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.311 123.1-109.4 -95.3 7.5 18.6 14.0 53.6 189 200 A G T < 5S+ 0 0 37 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.697 77.5 133.1 75.6 22.0 20.3 17.3 53.1 190 201 A L > < - 0 0 0 -5,-2.0 3,-1.6 1,-0.2 -4,-0.2 0.644 44.8-166.9 -77.5 -12.3 18.1 18.9 50.5 191 202 A G T > - 0 0 22 -5,-0.3 3,-3.0 1,-0.3 4,-0.4 -0.240 64.2 -9.2 60.9-150.6 17.9 22.1 52.4 192 203 A Y T >> S+ 0 0 90 1,-0.3 4,-1.0 2,-0.2 3,-0.7 0.611 126.9 75.3 -54.0 -13.5 15.3 24.6 51.4 193 204 A R H <> S+ 0 0 10 -3,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.710 80.6 69.9 -72.9 -20.5 14.7 22.4 48.4 194 205 A A H <> S+ 0 0 0 -3,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.823 97.3 52.7 -64.1 -32.0 12.8 20.0 50.7 195 206 A R H <> S+ 0 0 79 -3,-0.7 4,-2.6 -4,-0.4 -1,-0.2 0.930 107.9 47.4 -69.9 -48.9 10.1 22.6 51.0 196 207 A Y H X S+ 0 0 81 -4,-1.0 4,-2.7 2,-0.2 5,-0.3 0.894 109.3 54.4 -62.4 -41.2 9.6 23.1 47.2 197 208 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.979 112.6 42.9 -54.2 -59.4 9.4 19.3 46.6 198 209 A S H X S+ 0 0 9 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.905 115.5 48.4 -52.5 -51.3 6.7 18.9 49.2 199 210 A A H X S+ 0 0 35 -4,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.897 111.5 48.5 -61.4 -43.6 4.7 21.9 48.1 200 211 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 33,-0.2 -1,-0.2 0.855 109.0 54.4 -66.6 -34.4 4.8 21.1 44.4 201 212 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.3 -24,-0.2 0.961 115.6 38.6 -61.9 -50.5 3.7 17.5 45.1 202 213 A R H X S+ 0 0 93 -4,-2.2 4,-3.9 -26,-0.2 5,-0.2 0.899 113.6 56.1 -66.8 -42.4 0.6 18.8 47.0 203 214 A A H X>S+ 0 0 8 -4,-3.3 5,-1.9 1,-0.2 4,-1.4 0.941 107.6 47.7 -57.2 -50.2 -0.0 21.7 44.6 204 215 A I H <>S+ 0 0 0 -4,-2.5 6,-2.1 3,-0.2 5,-0.6 0.917 122.0 35.4 -59.1 -44.1 -0.3 19.4 41.6 205 216 A L H <5S+ 0 0 59 -4,-1.7 -2,-0.2 4,-0.2 -1,-0.2 0.867 125.7 37.7 -77.9 -39.2 -2.6 17.0 43.4 206 217 A E H <5S+ 0 0 146 -4,-3.9 -2,-0.2 -5,-0.2 -3,-0.2 0.343 135.0 12.2 -98.6 8.0 -4.6 19.5 45.5 207 218 A E T <5S+ 0 0 141 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.492 122.5 48.3-148.2 -38.8 -4.9 22.4 43.0 208 219 A Q T < - 0 0 55 -5,-0.6 4,-0.7 -6,-0.3 -4,-0.2 0.812 60.1 -95.6 99.9 36.0 -5.8 18.3 38.9 210 221 A G H >> S- 0 0 11 -6,-2.1 3,-1.1 -7,-0.2 4,-0.8 0.088 75.5 -23.7 57.4-162.4 -3.1 15.7 39.6 211 222 A L H >> S+ 0 0 83 1,-0.3 4,-2.0 2,-0.2 3,-0.9 0.879 126.8 63.3 -48.5 -54.1 -0.8 13.8 37.4 212 223 A A H 3> S+ 0 0 70 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.787 96.4 61.5 -45.4 -36.3 -2.9 14.1 34.2 213 224 A W H < S+ 0 0 63 -4,-2.0 3,-3.2 1,-0.2 4,-0.4 0.975 99.3 61.7 -55.7 -62.1 1.0 14.9 31.3 216 227 A Q H >< S+ 0 0 53 -4,-2.8 3,-1.0 1,-0.3 4,-0.5 0.659 86.4 79.2 -40.3 -22.3 -1.3 17.0 29.1 217 228 A L T << S+ 0 0 9 -3,-1.0 3,-0.4 -4,-0.5 -1,-0.3 0.726 79.8 66.6 -64.6 -20.8 1.5 19.6 28.9 218 229 A R T < S+ 0 0 61 -3,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.861 105.3 43.2 -66.6 -34.1 3.2 17.4 26.2 219 230 A E S < S+ 0 0 136 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.490 102.8 87.0 -88.4 -5.6 0.3 18.1 23.9 220 231 A S S S- 0 0 42 -4,-0.5 2,-0.1 -3,-0.4 -3,-0.0 -0.399 91.3 -91.4 -86.9 170.8 0.2 21.8 24.9 221 232 A S > - 0 0 57 -2,-0.1 4,-3.1 1,-0.1 5,-0.2 -0.350 34.2-113.3 -76.7 163.9 2.3 24.5 23.2 222 233 A Y H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.904 119.0 46.8 -64.7 -42.4 5.8 25.3 24.6 223 234 A E H > S+ 0 0 122 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.818 116.5 46.0 -69.1 -30.1 4.8 28.8 25.6 224 235 A E H > S+ 0 0 97 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.891 114.5 46.1 -78.3 -42.4 1.6 27.3 27.2 225 236 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.840 110.8 53.6 -69.8 -33.8 3.4 24.5 28.9 226 237 A H H X S+ 0 0 29 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.927 108.5 48.9 -66.9 -43.2 6.1 26.8 30.2 227 238 A K H < S+ 0 0 131 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.807 109.2 54.6 -65.3 -31.2 3.5 29.2 31.8 228 239 A A H >< S+ 0 0 15 -4,-1.4 3,-1.5 1,-0.2 4,-0.4 0.965 107.2 48.4 -66.9 -52.8 1.8 26.2 33.4 229 240 A L H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.861 98.8 66.4 -56.7 -42.3 4.9 24.9 35.1 230 241 A C T 3< S+ 0 0 48 -4,-1.8 -1,-0.3 1,-0.3 5,-0.2 0.719 87.4 72.3 -55.2 -20.3 6.0 28.3 36.6 231 242 A I T < S+ 0 0 100 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.893 80.4 90.5 -60.9 -40.3 2.8 28.1 38.7 232 243 A L S X S- 0 0 3 -3,-1.6 3,-1.8 -4,-0.4 2,-0.2 -0.290 89.8-107.9 -61.9 134.5 4.4 25.4 40.9 233 244 A P T 3 S+ 0 0 49 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.452 106.0 23.9 -66.5 130.3 6.5 26.5 43.9 234 245 A G T 3 S+ 0 0 27 1,-0.2 2,-0.7 -2,-0.2 -97,-0.1 0.349 97.5 112.6 95.5 -4.2 10.2 26.1 43.4 235 246 A V < + 0 0 11 -3,-1.8 -1,-0.2 -5,-0.2 2,-0.1 -0.890 39.3 167.1-108.0 112.2 9.8 26.3 39.6 236 247 A G > - 0 0 39 -2,-0.7 4,-1.8 -3,-0.1 5,-0.1 -0.230 54.6 -76.1-104.1-162.9 11.3 29.3 37.9 237 248 A T H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.898 127.8 47.7 -66.0 -41.5 12.0 30.1 34.3 238 249 A K H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.980 113.6 44.6 -64.2 -57.8 15.1 27.9 34.0 239 250 A V H > S+ 0 0 13 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.868 111.3 56.3 -55.1 -36.3 13.6 24.8 35.6 240 251 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.913 109.2 45.7 -63.0 -40.3 10.5 25.3 33.5 241 252 A D H X S+ 0 0 11 -4,-1.8 4,-2.6 -3,-0.4 5,-0.2 0.808 110.9 53.2 -71.9 -30.9 12.6 25.2 30.4 242 253 A C H X S+ 0 0 8 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.956 112.8 43.7 -67.6 -48.7 14.5 22.1 31.6 243 254 A I H X>S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-1.6 0.889 115.3 49.3 -63.3 -39.6 11.2 20.3 32.2 244 255 A C H <5S+ 0 0 0 -4,-2.3 6,-2.3 -5,-0.2 4,-0.3 0.936 118.0 39.2 -64.5 -46.8 9.9 21.6 28.8 245 256 A L H <5S+ 0 0 9 -4,-2.6 -2,-0.2 4,-0.2 -3,-0.2 0.891 125.3 35.7 -70.5 -42.2 13.0 20.5 26.9 246 257 A M H <5S+ 0 0 18 -4,-3.3 -122,-2.5 -5,-0.2 -3,-0.2 0.725 135.0 10.4 -91.0 -21.2 13.6 17.3 28.7 247 258 A A T <5S+ 0 0 0 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.591 119.4 57.8-130.4 -20.7 10.2 15.8 29.5 248 259 A L S + 0 0 12 -6,-2.3 3,-1.7 -7,-0.2 -1,-0.2 -0.725 22.4 173.8-112.4 80.1 9.7 21.0 23.6 251 262 A P T 3 S+ 0 0 25 0, 0.0 50,-2.3 0, 0.0 51,-0.7 0.532 73.2 62.7 -63.3 -8.9 13.1 21.0 21.8 252 263 A Q T 3 S+ 0 0 42 48,-0.2 2,-0.4 47,-0.2 47,-0.1 0.482 74.8 112.4 -96.4 -2.1 13.1 24.7 21.2 253 264 A A < - 0 0 0 -3,-1.7 -3,-0.0 45,-0.1 -12,-0.0 -0.569 50.2-166.1 -72.6 126.0 13.2 25.4 25.0 254 265 A V - 0 0 1 -2,-0.4 2,-0.3 50,-0.1 -12,-0.1 -0.824 12.1-145.4-119.5 92.7 16.6 26.9 25.9 255 266 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 5,-0.1 -0.370 18.9-151.3 -58.4 114.3 17.2 26.9 29.7 256 267 A V + 0 0 16 -2,-0.3 2,-0.3 4,-0.1 -15,-0.1 -0.786 28.6 150.5 -95.1 130.5 19.2 30.1 30.3 257 268 A D > - 0 0 30 -2,-0.5 4,-1.9 -19,-0.1 3,-0.4 -0.933 64.0 -84.3-147.4 166.1 21.7 30.2 33.2 258 269 A V H > S+ 0 0 117 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.773 127.0 59.6 -45.8 -28.8 24.9 32.0 34.0 259 270 A H H >> S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 3,-0.6 0.986 103.6 47.3 -64.2 -57.5 26.7 29.2 32.1 260 271 A M H 3> S+ 0 0 0 -3,-0.4 4,-1.3 1,-0.3 -1,-0.2 0.829 108.2 60.0 -51.9 -34.2 24.9 29.9 28.9 261 272 A W H 3X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.929 103.5 47.8 -61.8 -46.2 25.7 33.5 29.5 262 273 A H H - 0 0 19 1,-0.1 4,-2.9 -4,-0.1 5,-0.5 -0.932 68.5 -83.6-175.9 162.0 17.7 39.3 34.8 282 293 A P H > S+ 0 0 106 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.885 129.0 41.6 -44.8 -46.2 14.1 38.2 33.9 283 294 A Q H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.975 116.7 45.3 -67.6 -57.3 14.2 40.3 30.7 284 295 A T H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.877 112.6 49.9 -56.4 -44.7 17.8 39.6 29.6 285 296 A N H X S+ 0 0 45 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.908 111.1 50.3 -62.8 -39.6 17.6 35.8 30.1 286 297 A K H X S+ 0 0 147 -4,-1.3 4,-1.5 -5,-0.5 -2,-0.2 0.912 111.8 49.0 -63.1 -41.0 14.3 35.7 28.1 287 298 A E H X S+ 0 0 27 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.915 107.7 53.7 -64.5 -44.1 16.1 37.7 25.4 288 299 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.889 106.1 53.5 -58.5 -40.4 19.1 35.3 25.4 289 300 A G H X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.879 107.9 49.9 -62.3 -38.2 16.7 32.4 24.9 290 301 A N H X S+ 0 0 75 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.863 103.8 61.7 -67.7 -36.3 15.2 34.0 21.9 291 302 A F H X S+ 0 0 60 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.917 109.6 38.5 -55.0 -49.5 18.6 34.7 20.5 292 303 A F H X>S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-0.7 0.800 113.9 53.1 -75.8 -30.6 19.5 31.0 20.2 293 304 A R H X5S+ 0 0 52 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.913 113.6 45.7 -69.4 -38.2 16.1 29.9 19.1 294 305 A S H <5S+ 0 0 86 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.918 118.7 44.1 -66.8 -42.9 16.5 32.5 16.4 295 306 A L H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.975 129.0 19.7 -67.6 -59.5 20.0 31.2 15.7 296 307 A W H <5S- 0 0 1 -4,-3.4 3,-0.3 1,-0.2 -3,-0.2 0.749 98.4-144.2 -88.3 -24.2 19.6 27.4 15.8 297 308 A G ><< - 0 0 15 -4,-1.5 3,-2.5 -5,-0.7 -1,-0.2 -0.528 57.2 -5.5 98.6-165.8 15.9 27.1 15.2 298 309 A P T 3 S+ 0 0 92 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.656 135.6 45.7 -39.5 -29.8 13.2 24.6 16.5 299 310 A Y T >> + 0 0 78 -3,-0.3 4,-1.9 1,-0.2 3,-1.1 0.013 66.7 131.9-109.1 27.9 15.9 22.5 18.2 300 311 A A H <> S+ 0 0 0 -3,-2.5 4,-1.6 1,-0.3 -48,-0.2 0.747 71.4 61.9 -50.0 -25.1 17.8 25.3 19.9 301 312 A G H 3> S+ 0 0 0 -50,-2.3 4,-1.5 -3,-0.2 -1,-0.3 0.927 103.7 44.8 -69.0 -45.2 17.6 23.2 23.1 302 313 A W H <> S+ 0 0 5 -3,-1.1 4,-2.1 -51,-0.7 -2,-0.2 0.888 109.0 56.9 -65.9 -40.2 19.5 20.3 21.7 303 314 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.917 104.3 54.0 -56.8 -43.3 22.2 22.6 20.1 304 315 A Q H X S+ 0 0 10 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.917 103.9 54.8 -57.8 -45.9 22.8 24.0 23.6 305 316 A A H X S+ 0 0 19 -4,-1.5 4,-1.9 1,-0.2 3,-0.3 0.956 108.2 49.5 -52.1 -53.6 23.4 20.5 25.0 306 317 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.911 112.6 46.5 -52.1 -48.6 26.0 19.9 22.4 307 318 A L H X S+ 0 0 4 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.816 109.4 55.1 -65.9 -32.1 27.8 23.2 23.2 308 319 A F H < S+ 0 0 45 -4,-2.5 -1,-0.2 -3,-0.3 -2,-0.2 0.832 108.6 48.2 -69.3 -35.0 27.6 22.6 26.9 309 320 A S H >< S+ 0 0 13 -4,-1.9 3,-2.6 -5,-0.2 -2,-0.2 0.946 108.9 51.8 -69.8 -49.8 29.4 19.3 26.5 310 321 A A H 3< S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 105.9 57.3 -56.8 -28.2 32.1 20.8 24.4 311 322 A D T 3< 0 0 54 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.340 360.0 360.0 -84.9 5.6 32.5 23.4 27.1 312 323 A L < 0 0 179 -3,-2.6 -2,-0.2 -5,-0.1 -1,-0.1 0.925 360.0 360.0 -95.9 360.0 33.2 20.6 29.6