==== 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 28-JUN-01 1JHP . COMPND 2 MOLECULE: NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZO . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR C.G.CHEONG,J.ESCALANTE-SEMERENA,I.RAYMENT . 346 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 0 0.0 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 0.3 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 . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 2 2 1 0 2 1 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 0 0 0 1 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A L > 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -50.2 48.2 11.6 13.8 2 5 A H H > + 0 0 81 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.891 360.0 51.4 -62.4 -33.4 46.0 9.6 11.5 3 6 A A H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.990 108.3 47.9 -59.9 -65.1 44.1 9.2 14.8 4 7 A L H 4 S+ 0 0 23 1,-0.3 3,-0.3 2,-0.2 -2,-0.2 0.918 114.5 47.1 -38.3 -62.7 43.9 12.8 15.6 5 8 A L H >< S+ 0 0 39 -4,-2.8 3,-1.1 1,-0.2 -1,-0.3 0.821 110.6 51.3 -52.7 -40.7 42.8 13.6 12.0 6 9 A R H 3< S+ 0 0 176 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.910 104.3 58.7 -66.8 -40.8 40.2 10.9 12.0 7 10 A D T 3< + 0 0 68 -4,-2.7 -1,-0.2 -3,-0.3 -2,-0.2 0.288 70.0 126.5 -74.4 8.4 38.7 12.1 15.3 8 11 A I < - 0 0 14 -3,-1.1 244,-0.2 -5,-0.2 245,-0.1 -0.581 60.7-127.9 -72.1 117.8 37.9 15.7 14.1 9 12 A P - 0 0 38 0, 0.0 245,-0.1 0, 0.0 -1,-0.1 -0.297 9.6-126.0 -69.1 146.3 34.2 16.1 14.8 10 13 A A - 0 0 78 1,-0.1 2,-0.0 -2,-0.1 267,-0.0 -0.526 41.6 -89.5 -82.5 156.6 31.7 17.3 12.4 11 14 A P - 0 0 55 0, 0.0 2,-1.2 0, 0.0 35,-0.2 -0.335 39.3-108.0 -68.0 149.4 29.6 20.3 13.3 12 15 A D > - 0 0 65 33,-2.7 4,-2.2 1,-0.2 3,-0.2 -0.654 32.2-175.7 -82.6 94.5 26.3 19.8 15.2 13 16 A A H > S+ 0 0 71 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.792 82.4 58.9 -59.3 -31.8 23.6 20.5 12.6 14 17 A E H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 106.5 45.8 -64.8 -47.6 20.9 20.1 15.3 15 18 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.921 112.2 54.1 -59.3 -44.6 22.4 22.8 17.5 16 19 A M H X S+ 0 0 59 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.899 105.5 51.3 -58.8 -42.9 22.7 25.0 14.3 17 20 A A H X S+ 0 0 67 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.904 110.5 49.3 -64.7 -37.5 19.1 24.6 13.4 18 21 A R H X S+ 0 0 130 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.876 109.9 52.2 -67.9 -33.9 18.1 25.6 16.9 19 22 A T H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.949 108.4 49.0 -66.5 -46.8 20.3 28.6 16.8 20 23 A Q H X S+ 0 0 70 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.915 110.1 51.7 -58.4 -47.2 18.9 29.9 13.5 21 24 A Q H X S+ 0 0 63 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.924 112.2 46.1 -55.4 -49.4 15.4 29.5 14.8 22 25 A H H >< S+ 0 0 61 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.883 111.7 51.8 -61.7 -41.4 16.3 31.5 17.9 23 26 A I H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.934 103.6 58.1 -62.3 -44.6 18.1 34.1 15.9 24 27 A D H 3< S+ 0 0 66 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.731 103.8 53.8 -59.0 -23.9 15.1 34.5 13.6 25 28 A G T << S+ 0 0 28 -4,-0.8 313,-2.5 -3,-0.7 314,-0.4 0.422 83.2 116.0 -94.2 2.7 12.9 35.4 16.5 26 29 A L B < S-A 337 0A 0 -3,-1.8 2,-2.9 -4,-0.3 311,-0.3 -0.271 86.5 -80.2 -72.2 162.6 15.0 38.2 17.9 27 30 A L S S+ 0 0 74 309,-2.7 -1,-0.2 311,-0.0 309,-0.1 -0.263 101.5 64.0 -58.8 66.2 13.9 41.9 18.1 28 31 A K S S- 0 0 13 -2,-2.9 310,-0.1 -4,-0.2 317,-0.1 -0.971 95.0 -67.6-177.6 164.3 14.7 42.7 14.5 29 32 A P S > S- 0 0 76 0, 0.0 3,-2.7 0, 0.0 4,-0.2 -0.441 70.8 -93.6 -65.2 127.8 14.0 42.2 10.9 30 33 A P T 3 S+ 0 0 66 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.176 106.4 4.8 -50.7 133.2 15.1 38.7 10.1 31 34 A G T > S+ 0 0 42 -8,-0.1 3,-1.8 -3,-0.1 6,-0.1 0.379 90.0 126.4 73.4 0.8 18.6 38.5 8.7 32 35 A S T < + 0 0 58 -3,-2.7 -1,-0.1 1,-0.3 0, 0.0 0.674 65.7 60.9 -60.3 -20.8 19.1 42.2 9.3 33 36 A L T > S- 0 0 62 -4,-0.2 3,-1.9 1,-0.2 4,-0.5 0.310 85.1-173.6 -93.4 10.5 22.2 41.4 11.4 34 37 A G T X> + 0 0 40 -3,-1.8 4,-1.5 1,-0.3 3,-1.0 -0.023 64.7 9.7 43.0-123.7 24.0 39.7 8.4 35 38 A R H 3> S+ 0 0 108 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.679 121.9 67.2 -60.1 -22.2 27.4 38.1 9.1 36 39 A L H <> S+ 0 0 51 -3,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.905 103.6 46.3 -68.0 -34.8 26.8 38.4 12.8 37 40 A E H <> S+ 0 0 9 -3,-1.0 4,-2.0 -4,-0.5 -2,-0.2 0.945 113.8 46.7 -69.3 -49.0 24.0 36.0 12.5 38 41 A T H X S+ 0 0 88 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.939 110.3 53.7 -57.8 -50.3 26.0 33.6 10.3 39 42 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.967 108.7 49.6 -50.7 -54.5 28.9 33.8 12.7 40 43 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.850 110.7 48.9 -54.7 -38.8 26.6 32.9 15.6 41 44 A V H X S+ 0 0 17 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.930 108.2 55.0 -69.1 -39.0 25.2 29.9 13.8 42 45 A Q H >< S+ 0 0 43 -4,-3.0 3,-0.6 1,-0.2 4,-0.4 0.908 108.1 49.0 -57.3 -43.5 28.7 28.8 12.9 43 46 A L H >< S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.888 103.8 59.4 -65.2 -38.4 29.7 28.9 16.6 44 47 A A H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 7,-0.2 0.763 99.4 59.0 -61.8 -25.6 26.6 26.9 17.6 45 48 A G T << S+ 0 0 0 -4,-1.1 -33,-2.7 -3,-0.6 -1,-0.3 0.590 82.0 100.8 -79.8 -12.8 27.7 24.0 15.4 46 49 A M X - 0 0 3 -3,-1.5 3,-2.1 -4,-0.4 5,-0.4 -0.684 65.2-149.3 -80.5 116.2 31.1 23.6 17.3 47 50 A P G > S+ 0 0 53 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.795 94.5 59.3 -55.7 -36.5 31.0 20.7 19.7 48 51 A G G 3 S+ 0 0 28 206,-1.7 207,-0.1 1,-0.3 206,-0.1 0.592 97.2 67.3 -69.5 -8.0 33.4 22.2 22.2 49 52 A L G X S- 0 0 0 -3,-2.1 3,-1.0 205,-0.4 -1,-0.3 0.377 105.6-121.6 -94.1 -0.3 30.9 25.1 22.5 50 53 A N T < - 0 0 126 -3,-1.5 -2,-0.1 1,-0.2 -6,-0.1 0.918 64.2 -57.9 61.0 48.4 28.1 23.1 24.1 51 54 A G T 3 S+ 0 0 21 -5,-0.4 -1,-0.2 -7,-0.2 -7,-0.1 0.564 118.6 79.2 62.0 14.3 25.4 23.8 21.6 52 55 A T S < S- 0 0 32 -3,-1.0 2,-0.6 -6,-0.2 -1,-0.1 -0.994 88.0 -99.7-149.2 154.7 25.5 27.5 21.9 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.643 64.4 145.4 -73.3 115.6 27.4 30.5 20.7 54 57 A Q - 0 0 65 -2,-0.6 2,-0.4 -11,-0.1 -2,-0.1 -0.987 39.2-152.1-153.5 150.7 29.6 31.2 23.7 55 58 A V + 0 0 35 -2,-0.3 3,-0.1 1,-0.1 109,-0.1 -0.973 19.2 166.1-131.1 116.3 33.1 32.5 24.5 56 59 A G - 0 0 36 -2,-0.4 2,-0.2 1,-0.4 108,-0.2 0.636 63.3 -8.9 -90.6-112.5 34.9 31.5 27.7 57 60 A E E -b 164 0B 129 106,-2.4 108,-3.1 103,-0.1 109,-1.4 -0.612 67.7-144.8 -90.5 155.4 38.6 32.2 27.9 58 61 A K E -b 166 0B 27 46,-0.5 48,-3.1 -2,-0.2 2,-0.4 -0.952 15.8-177.7-123.8 135.3 40.6 33.4 24.9 59 62 A A E -bc 167 106B 0 107,-2.4 109,-1.8 -2,-0.4 2,-0.5 -0.983 16.4-153.2-135.4 145.9 44.1 32.7 23.9 60 63 A V E -bc 168 107B 0 46,-3.2 48,-3.9 -2,-0.4 2,-0.6 -0.976 15.6-154.1-115.9 120.7 46.5 33.8 21.1 61 64 A L E -bc 169 108B 0 107,-2.7 109,-2.6 -2,-0.5 2,-0.6 -0.869 6.2-163.3 -99.7 118.9 49.2 31.4 20.1 62 65 A V E -bc 170 109B 0 46,-3.4 48,-3.1 -2,-0.6 2,-0.6 -0.890 3.2-158.2-109.2 114.3 52.3 32.8 18.6 63 66 A M E -bc 171 110B 1 107,-2.5 109,-2.2 -2,-0.6 2,-0.5 -0.768 12.8-167.6 -91.6 115.8 54.7 30.5 16.7 64 67 A C E +bc 172 111B 0 46,-2.9 48,-2.4 -2,-0.6 49,-1.0 -0.908 19.2 142.8-111.1 134.4 58.2 31.8 16.5 65 68 A A E - c 0 113B 0 107,-2.1 49,-0.3 -2,-0.5 2,-0.2 -0.967 38.2-125.6-165.6 151.1 60.9 30.4 14.3 66 69 A D - 0 0 3 47,-2.3 65,-1.7 -2,-0.3 2,-0.4 -0.592 23.5-141.3 -97.2 159.1 63.8 31.5 12.1 67 70 A H B > -g 131 0C 2 107,-0.5 3,-1.7 63,-0.2 4,-0.2 -0.982 14.0-143.3-129.7 135.5 64.2 30.5 8.4 68 71 A G G > S+ 0 0 11 63,-1.0 3,-2.5 -2,-0.4 65,-0.3 0.879 96.5 74.9 -59.0 -38.3 67.3 29.6 6.5 69 72 A V G > >S+ 0 0 2 63,-0.5 3,-2.2 1,-0.3 5,-0.6 0.641 71.3 87.4 -51.8 -12.8 66.0 31.4 3.4 70 73 A W G X 5S+ 0 0 70 -3,-1.7 3,-1.2 1,-0.3 5,-0.5 0.848 77.7 65.4 -56.9 -31.2 66.8 34.6 5.2 71 74 A D G < 5S+ 0 0 108 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.565 84.2 73.9 -69.6 -8.3 70.3 34.3 3.6 72 75 A E G < 5S- 0 0 48 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.1 0.244 114.0-109.7 -88.6 11.0 68.8 34.7 0.2 73 76 A G T < 5S+ 0 0 50 -3,-1.2 137,-0.1 2,-0.1 -2,-0.1 0.751 80.5 129.2 68.0 27.6 68.3 38.5 0.8 74 77 A V < + 0 0 4 -5,-0.6 2,-0.4 -4,-0.3 -4,-0.1 0.608 61.1 54.9 -86.7 -14.8 64.5 38.2 1.0 75 78 A A - 0 0 21 -5,-0.5 -1,-0.1 -6,-0.1 4,-0.1 -0.965 53.2-166.4-130.8 124.6 64.1 40.1 4.3 76 79 A V + 0 0 88 -2,-0.4 -1,-0.1 124,-0.2 125,-0.1 0.617 67.9 93.2 -80.9 -10.8 65.3 43.5 5.4 77 80 A S S S- 0 0 32 1,-0.1 2,-0.1 2,-0.1 -2,-0.1 -0.658 90.4-106.6 -78.4 141.7 64.7 43.0 9.1 78 81 A P > - 0 0 76 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.439 27.1-118.6 -68.4 139.3 67.8 41.7 10.8 79 82 A K T > S+ 0 0 40 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.809 108.4 66.2 -44.7 -43.3 67.5 38.0 11.7 80 83 A I T 3> S+ 0 0 105 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.608 77.5 84.8 -59.1 -17.0 67.9 38.7 15.4 81 84 A V H <> S+ 0 0 39 -3,-2.5 4,-3.1 1,-0.2 5,-0.4 0.856 81.8 61.5 -58.3 -32.9 64.6 40.5 15.5 82 85 A T H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.961 109.6 40.4 -55.5 -51.5 62.8 37.1 15.9 83 86 A A H > S+ 0 0 19 -4,-0.4 4,-1.9 -3,-0.3 -2,-0.2 0.895 118.2 47.3 -63.0 -45.7 64.6 36.5 19.2 84 87 A I H X S+ 0 0 81 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.964 115.2 43.9 -59.8 -56.8 64.3 40.1 20.4 85 88 A Q H X S+ 0 0 38 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.837 109.8 57.8 -57.9 -38.9 60.6 40.4 19.5 86 89 A A H X S+ 0 0 0 -4,-2.1 4,-0.8 -5,-0.4 -1,-0.2 0.931 106.9 48.0 -60.5 -41.9 59.9 37.0 21.0 87 90 A A H >< S+ 0 0 14 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.917 108.1 55.2 -63.1 -42.2 61.4 38.3 24.2 88 91 A N H >X>S+ 0 0 40 -4,-2.2 3,-2.3 1,-0.3 5,-1.2 0.853 95.9 65.6 -60.0 -35.1 59.2 41.4 24.0 89 92 A M H ><5S+ 0 0 7 -4,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.846 96.9 57.4 -53.7 -36.0 56.2 39.1 23.7 90 93 A T T <<5S+ 0 0 62 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.595 106.2 49.5 -72.4 -11.1 57.0 38.1 27.2 91 94 A R T <45S- 0 0 154 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.474 107.0-120.4-107.0 -4.2 56.8 41.8 28.3 92 95 A G T <<5S+ 0 0 41 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.763 80.5 115.1 71.7 28.5 53.5 42.7 26.8 93 96 A T < + 0 0 94 -5,-1.2 -4,-0.1 4,-0.1 -5,-0.1 0.452 48.1 96.5-105.4 -6.0 54.9 45.5 24.6 94 97 A T S > S- 0 0 5 -6,-0.4 4,-2.3 -9,-0.1 5,-0.2 -0.290 87.5-104.3 -81.6 170.2 54.3 44.0 21.2 95 98 A G H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.908 121.3 46.7 -59.5 -44.6 51.4 44.7 18.8 96 99 A V H > S+ 0 0 0 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.891 110.5 53.6 -63.3 -43.2 49.7 41.4 19.6 97 100 A C H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.929 110.9 45.3 -54.1 -51.5 50.2 41.8 23.3 98 101 A V H X S+ 0 0 83 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.911 117.2 44.1 -62.0 -45.8 48.5 45.2 23.3 99 102 A L H X S+ 0 0 55 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.901 113.4 50.7 -68.8 -41.3 45.6 44.1 21.1 100 103 A A H X>S+ 0 0 1 -4,-3.5 5,-2.6 2,-0.2 4,-0.7 0.939 108.5 51.8 -61.1 -49.7 45.1 40.8 23.1 101 104 A A H ><5S+ 0 0 71 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.877 108.0 52.5 -53.9 -40.6 45.0 42.6 26.4 102 105 A Q H 3<5S+ 0 0 164 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.861 112.8 45.1 -64.1 -34.0 42.4 44.9 24.9 103 106 A A H 3<5S- 0 0 11 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.418 114.3-117.7 -87.8 -1.5 40.5 41.8 23.9 104 107 A G T <<5 + 0 0 55 -3,-0.9 -46,-0.5 -4,-0.7 2,-0.2 0.747 69.8 139.0 70.4 22.4 41.0 40.2 27.3 105 108 A A < - 0 0 13 -5,-2.6 2,-0.5 -6,-0.1 -1,-0.2 -0.619 51.5-126.1 -97.7 157.4 42.9 37.4 25.6 106 109 A K E -c 59 0B 52 -48,-3.1 -46,-3.2 -2,-0.2 2,-0.4 -0.898 18.1-139.5-107.8 135.4 46.0 35.7 26.8 107 110 A V E -c 60 0B 36 -2,-0.5 2,-0.6 -48,-0.2 -46,-0.2 -0.776 11.0-163.0 -93.9 129.8 49.1 35.4 24.5 108 111 A H E -c 61 0B 49 -48,-3.9 -46,-3.4 -2,-0.4 2,-0.6 -0.955 6.4-155.5-116.4 116.3 51.1 32.3 24.4 109 112 A V E -c 62 0B 12 -2,-0.6 14,-2.9 12,-0.3 2,-0.5 -0.805 13.0-172.5 -93.8 121.6 54.6 32.5 22.9 110 113 A I E -cd 63 123B 2 -48,-3.1 -46,-2.9 -2,-0.6 2,-0.8 -0.974 16.5-149.2-122.6 126.3 55.9 29.3 21.5 111 114 A D E +cd 64 124B 3 12,-3.4 14,-2.7 -2,-0.5 -46,-0.2 -0.843 27.9 159.9 -93.2 109.0 59.5 28.8 20.3 112 115 A V E S- 0 0 0 -48,-2.4 15,-2.0 -2,-0.8 16,-0.4 0.383 79.9 -13.5-108.0 -2.5 59.4 26.2 17.5 113 116 A G E S+c 65 0B 0 -49,-1.0 -47,-2.3 13,-0.2 17,-0.8 0.344 73.0 164.3 170.6 39.0 62.7 27.0 15.8 114 117 A I - 0 0 0 -50,-0.3 2,-1.8 -49,-0.3 59,-0.0 -0.496 38.5-131.6 -74.0 135.7 64.3 30.3 16.8 115 118 A D S S+ 0 0 66 14,-0.2 2,-0.3 -2,-0.2 -32,-0.1 -0.510 78.9 68.8 -87.4 71.6 68.0 30.6 15.8 116 119 A A S S- 0 0 19 -2,-1.8 3,-0.1 -34,-0.1 14,-0.1 -0.968 95.4 -63.5-168.7 172.7 69.1 31.8 19.2 117 120 A E S S- 0 0 152 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.380 72.8 -81.4 -67.8 151.2 69.6 30.7 22.8 118 121 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.132 41.7-134.6 -53.3 148.6 66.4 29.8 24.6 119 122 A I > - 0 0 27 -3,-0.1 3,-2.0 4,-0.1 -8,-0.1 -0.920 17.6-125.6-110.9 117.9 64.3 32.6 25.9 120 123 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -30,-0.1 -0.239 95.8 30.7 -60.0 143.8 62.9 32.2 29.4 121 124 A G T 3 S+ 0 0 74 1,-0.3 2,-0.4 3,-0.0 -12,-0.3 0.231 96.8 108.3 94.2 -18.1 59.2 32.6 29.6 122 125 A V S < S- 0 0 16 -3,-2.0 -1,-0.3 -14,-0.1 2,-0.3 -0.756 79.3-111.2 -94.5 135.2 58.8 31.3 26.1 123 126 A V E -d 110 0B 39 -14,-2.9 -12,-3.4 -2,-0.4 2,-0.9 -0.495 33.3-134.5 -68.9 128.3 57.3 27.9 25.6 124 127 A N E +d 111 0B 95 -2,-0.3 -12,-0.1 -14,-0.2 -1,-0.1 -0.774 54.5 133.1 -93.2 108.5 59.9 25.6 24.3 125 128 A M + 0 0 20 -14,-2.7 2,-0.2 -2,-0.9 -1,-0.1 -0.140 33.2 166.1-134.2 27.8 59.0 23.4 21.4 126 129 A R - 0 0 57 1,-0.2 -13,-0.2 -13,-0.0 -14,-0.2 -0.296 21.8-175.9 -57.2 119.7 62.1 24.1 19.4 127 130 A V - 0 0 43 -15,-2.0 2,-0.3 1,-0.4 -14,-0.2 0.898 67.9 -32.6 -80.1 -44.4 62.7 21.8 16.5 128 131 A A S S- 0 0 42 -16,-0.4 2,-1.9 3,-0.0 -1,-0.4 -0.935 73.8 -78.3-164.2 172.3 66.0 23.3 15.5 129 132 A R S S- 0 0 135 -2,-0.3 -14,-0.2 -3,-0.1 -15,-0.2 -0.595 106.4 -32.6 -83.1 75.7 67.8 26.6 15.4 130 133 A G S S- 0 0 14 -2,-1.9 -63,-0.2 -17,-0.8 2,-0.1 0.103 81.8 -88.5 88.9 154.5 66.0 27.8 12.3 131 134 A C B -g 67 0C 11 -65,-1.7 -63,-1.0 1,-0.2 9,-0.2 -0.455 51.6 -80.7 -92.3 169.9 64.7 25.7 9.4 132 135 A G - 0 0 31 7,-2.8 2,-0.8 -2,-0.1 -63,-0.5 -0.260 52.4 -94.4 -67.2 158.0 66.6 24.7 6.3 133 136 A N >> - 0 0 29 -65,-0.3 3,-1.7 1,-0.2 4,-0.8 -0.648 31.2-156.2 -77.4 108.4 66.9 27.2 3.4 134 137 A I T 34 S+ 0 0 2 -2,-0.8 87,-0.2 1,-0.3 -1,-0.2 0.669 85.1 72.7 -62.0 -19.2 64.1 26.3 1.0 135 138 A A T 34 S+ 0 0 1 1,-0.2 -1,-0.3 85,-0.1 85,-0.1 0.744 114.4 22.1 -67.8 -24.3 65.9 27.9 -1.9 136 139 A V T <4 S- 0 0 100 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.347 133.9 -18.8-125.2 4.7 68.3 25.0 -2.0 137 140 A G S < S- 0 0 11 -4,-0.8 -1,-0.3 97,-0.1 84,-0.1 -0.973 88.1 -42.5 173.9-178.1 66.5 22.2 -0.2 138 141 A P - 0 0 74 0, 0.0 96,-0.2 0, 0.0 97,-0.2 -0.297 41.7-129.2 -69.3 152.6 63.6 21.2 2.1 139 142 A A S S- 0 0 4 95,-1.3 -7,-2.8 94,-0.8 2,-0.3 0.787 81.2 -34.3 -68.5 -31.7 62.9 23.2 5.3 140 143 A M S S- 0 0 16 93,-1.8 2,-0.2 -9,-0.2 -1,-0.2 -0.955 77.4 -64.6-171.5-176.3 62.9 20.1 7.3 141 144 A S > - 0 0 47 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.522 38.5-119.7 -89.4 154.6 62.1 16.4 7.4 142 145 A R H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.933 116.7 52.1 -54.7 -47.4 58.6 14.9 7.0 143 146 A L H > S+ 0 0 122 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.916 106.6 53.0 -53.5 -49.5 59.0 13.3 10.5 144 147 A Q H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.839 111.3 47.7 -56.1 -37.9 60.0 16.6 11.9 145 148 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.957 111.1 47.4 -69.3 -52.8 56.9 18.1 10.5 146 149 A E H X S+ 0 0 57 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.897 111.4 53.8 -55.3 -41.9 54.4 15.4 11.7 147 150 A A H X S+ 0 0 55 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.945 109.1 45.4 -60.2 -51.3 56.0 15.6 15.1 148 151 A L H X S+ 0 0 3 -4,-1.8 4,-3.4 1,-0.2 5,-0.4 0.919 110.1 56.9 -59.7 -40.7 55.5 19.3 15.6 149 152 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.932 111.2 43.7 -51.0 -49.9 52.0 18.9 14.2 150 153 A L H X S+ 0 0 68 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.927 115.2 46.7 -59.9 -54.5 51.3 16.4 17.0 151 154 A E H X S+ 0 0 100 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.905 115.5 43.7 -60.2 -46.2 52.9 18.4 19.7 152 155 A V H X S+ 0 0 2 -4,-3.4 4,-2.5 -5,-0.2 -1,-0.2 0.938 112.1 55.1 -66.2 -42.7 51.3 21.7 18.9 153 156 A S H X S+ 0 0 6 -4,-2.3 4,-2.3 -5,-0.4 5,-0.2 0.923 110.4 44.8 -48.8 -57.2 47.9 20.0 18.4 154 157 A R H X S+ 0 0 61 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.942 110.9 51.9 -56.9 -54.6 48.0 18.4 21.8 155 158 A Y H X S+ 0 0 57 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.905 111.1 51.3 -50.7 -42.4 49.2 21.6 23.5 156 159 A T H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 3,-0.5 0.937 111.8 42.4 -60.6 -52.9 46.3 23.4 21.8 157 160 A a H X S+ 0 0 38 -4,-2.3 4,-0.8 1,-0.2 3,-0.2 0.823 108.2 62.8 -66.2 -31.9 43.6 21.0 22.9 158 161 A D H >X S+ 0 0 54 -4,-2.9 4,-0.8 1,-0.3 3,-0.7 0.845 97.2 56.5 -62.5 -35.2 45.1 20.8 26.4 159 162 A L H ><>S+ 0 0 21 -4,-1.4 5,-1.5 -3,-0.5 3,-0.9 0.854 94.3 69.3 -63.6 -35.7 44.4 24.5 26.8 160 163 A A H ><5S+ 0 0 25 -4,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.862 94.4 55.4 -49.0 -38.3 40.8 23.7 26.1 161 164 A Q H <<5S+ 0 0 181 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.873 98.4 61.3 -65.1 -35.1 40.8 21.9 29.4 162 165 A R T <<5S- 0 0 83 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.376 130.8 -89.2 -73.9 6.9 41.9 25.1 31.1 163 166 A G T < 5S+ 0 0 33 -3,-1.4 -106,-2.4 1,-0.3 2,-0.4 0.594 78.0 146.6 97.7 10.4 38.8 26.9 30.0 164 167 A V E < +b 57 0B 13 -5,-1.5 -1,-0.3 -108,-0.2 -106,-0.2 -0.656 11.1 162.9 -81.8 133.8 39.9 28.2 26.6 165 168 A T E + 0 0 21 -108,-3.1 2,-0.4 -2,-0.4 -107,-0.2 0.536 61.2 51.6-121.5 -11.9 37.1 28.3 24.0 166 169 A L E -b 58 0B 1 -109,-1.4 -107,-2.4 89,-0.1 2,-0.3 -0.988 63.8-165.7-135.3 122.3 38.5 30.7 21.4 167 170 A F E -be 59 257B 0 89,-2.3 91,-3.0 -2,-0.4 2,-0.4 -0.804 5.8-167.3-110.2 150.4 41.9 30.5 19.8 168 171 A G E -be 60 258B 0 -109,-1.8 -107,-2.7 -2,-0.3 2,-0.4 -0.977 16.4-145.7-129.0 139.7 43.7 33.1 17.8 169 172 A V E +b 61 0B 0 89,-1.8 2,-0.3 -2,-0.4 149,-0.3 -0.888 24.7 157.4-114.6 143.7 46.8 32.1 15.8 170 173 A G E -b 62 0B 0 -109,-2.6 -107,-2.5 -2,-0.4 2,-0.3 -0.956 18.9-148.3-152.2 173.1 49.9 34.1 15.1 171 174 A E E -b 63 0B 13 -2,-0.3 143,-1.0 -109,-0.3 2,-0.3 -0.924 7.5-164.2-144.9 169.2 53.5 33.9 14.1 172 175 A L E +b 64 0B 8 -109,-2.2 -107,-2.1 -2,-0.3 2,-0.2 -0.854 35.7 121.7-157.4 112.2 56.9 35.6 14.4 173 176 A G > - 0 0 3 -2,-0.3 3,-1.7 -109,-0.2 4,-0.2 -0.623 55.9-115.8-177.2 114.8 59.9 34.9 12.2 174 177 A M T 3 S+ 0 0 22 -95,-0.3 -107,-0.5 1,-0.3 -104,-0.2 -0.294 101.8 17.3 -56.7 135.7 62.0 37.2 10.0 175 178 A A T > S+ 0 0 10 -101,-0.1 3,-1.2 -109,-0.1 -1,-0.3 0.548 84.1 131.6 79.4 11.0 61.6 36.3 6.3 176 179 A N T <> + 0 0 12 -3,-1.7 4,-1.7 1,-0.2 5,-0.1 0.694 54.5 72.0 -70.9 -18.7 58.5 34.3 6.8 177 180 A T H 3> S+ 0 0 25 1,-0.2 4,-1.5 2,-0.2 20,-0.3 0.649 92.6 63.3 -70.7 -9.7 56.4 35.8 4.0 178 181 A T H <> S+ 0 0 2 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.962 104.4 39.0 -78.3 -56.8 58.7 34.0 1.6 179 182 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.911 115.4 58.7 -59.7 -33.9 57.9 30.4 2.5 180 183 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.922 104.8 47.8 -58.7 -45.5 54.3 31.7 2.8 181 184 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.915 109.6 54.2 -62.7 -39.9 54.3 32.8 -0.8 182 185 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.927 109.3 46.6 -59.7 -47.3 55.7 29.5 -1.9 183 186 A M H X S+ 0 0 0 -4,-2.5 4,-3.1 52,-0.3 5,-0.4 0.918 112.2 50.0 -61.2 -47.1 53.0 27.5 -0.2 184 187 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 6,-0.4 0.967 110.3 50.2 -56.6 -51.0 50.2 29.7 -1.6 185 188 A S H X>S+ 0 0 14 -4,-2.8 4,-2.5 1,-0.2 5,-0.8 0.935 114.5 45.4 -50.8 -51.0 51.7 29.4 -5.0 186 189 A V H <5S+ 0 0 20 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.926 117.4 39.8 -62.3 -50.8 51.8 25.7 -4.7 187 190 A F H <5S+ 0 0 35 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.824 124.9 40.3 -69.0 -30.2 48.4 25.0 -3.2 188 191 A T H <5S- 0 0 18 -4,-2.6 -2,-0.2 -5,-0.4 -1,-0.2 0.664 97.2-130.3 -93.3 -24.7 46.8 27.6 -5.4 189 192 A G T <5 + 0 0 72 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.746 59.9 140.3 75.3 22.4 48.5 27.1 -8.8 190 193 A S < - 0 0 30 -5,-0.8 -1,-0.3 -6,-0.4 2,-0.2 -0.692 58.2-105.1 -94.8 150.5 49.3 30.8 -9.0 191 194 A D >> - 0 0 96 -2,-0.3 3,-1.4 1,-0.1 4,-0.9 -0.508 29.8-115.1 -75.7 146.3 52.5 32.1 -10.3 192 195 A A H 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.767 112.9 63.4 -47.4 -37.7 54.9 33.5 -7.8 193 196 A K H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 3,-0.0 0.927 102.2 52.3 -58.2 -38.8 54.7 37.0 -9.2 194 197 A E H <4 S+ 0 0 36 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.778 117.9 33.8 -65.2 -31.1 51.1 37.0 -8.2 195 198 A V H < S+ 0 0 0 -4,-0.9 97,-0.8 -3,-0.4 2,-0.5 0.619 88.6 104.5-106.5 -13.3 51.6 35.9 -4.6 196 199 A V < - 0 0 5 -4,-2.2 2,-0.1 -5,-0.2 -18,-0.1 -0.605 49.7-175.2 -78.6 122.7 54.9 37.5 -3.6 197 200 A G - 0 0 4 -2,-0.5 93,-0.1 -20,-0.3 -2,-0.1 -0.445 40.1-101.6-107.6-178.8 54.5 40.6 -1.4 198 201 A I > - 0 0 44 1,-0.2 4,-2.8 -2,-0.1 92,-0.1 0.554 49.9-169.4 -81.1 -6.4 56.7 43.3 0.2 199 202 A G T 4 + 0 0 7 1,-0.2 2,-2.2 2,-0.2 -1,-0.2 -0.188 67.5 1.8 51.0-137.3 56.6 41.6 3.6 200 203 A A T 4 S- 0 0 61 1,-0.2 -124,-0.2 -123,-0.0 -1,-0.2 -0.490 134.2 -54.5 -83.0 79.2 58.1 43.9 6.3 201 204 A N T 4 S- 0 0 111 -2,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.923 74.7-175.4 56.1 53.1 58.8 46.8 4.0 202 205 A L < - 0 0 14 -4,-2.8 -1,-0.2 1,-0.1 5,-0.1 -0.681 33.2-108.0 -80.2 126.2 60.8 45.1 1.4 203 206 A P > - 0 0 66 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.247 21.7-121.8 -57.4 137.9 62.1 47.6 -1.1 204 207 A P G > S+ 0 0 87 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.765 111.4 59.8 -50.2 -33.0 60.5 47.5 -4.5 205 208 A S G 3 S+ 0 0 108 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.844 101.5 54.5 -67.0 -32.4 63.8 46.9 -6.1 206 209 A R G <> S+ 0 0 30 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.481 83.9 88.0 -82.7 -1.6 64.3 43.7 -4.1 207 210 A I H <> S+ 0 0 40 -3,-0.9 4,-2.0 -4,-0.4 3,-0.5 0.973 79.7 59.6 -59.4 -56.2 61.1 42.1 -5.2 208 211 A D H > S+ 0 0 132 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.2 0.871 105.3 49.3 -39.9 -49.5 62.5 40.5 -8.3 209 212 A N H > S+ 0 0 68 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.937 106.3 56.1 -61.8 -42.8 64.9 38.6 -6.2 210 213 A K H X S+ 0 0 2 -4,-1.6 4,-2.1 -3,-0.5 -1,-0.2 0.900 107.4 49.6 -54.5 -42.3 62.2 37.4 -3.8 211 214 A V H X S+ 0 0 9 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.919 109.1 51.2 -64.7 -42.9 60.2 35.9 -6.7 212 215 A D H X S+ 0 0 37 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.934 108.7 52.2 -59.0 -45.4 63.2 34.1 -8.1 213 216 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.919 110.9 47.6 -54.9 -48.0 63.9 32.6 -4.7 214 217 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.941 111.0 49.3 -60.1 -52.4 60.3 31.4 -4.5 215 218 A R H X S+ 0 0 112 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.890 112.2 50.9 -54.6 -40.9 60.3 29.9 -8.0 216 219 A R H X S+ 0 0 90 -4,-2.7 4,-3.1 -5,-0.2 5,-0.4 0.941 104.5 54.7 -61.9 -50.1 63.6 28.1 -7.0 217 220 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 112.9 46.0 -49.4 -43.9 62.2 26.7 -3.8 218 221 A I H X S+ 0 0 34 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.953 113.1 44.6 -64.5 -57.5 59.5 25.2 -5.8 219 222 A A H < S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.918 116.9 47.0 -57.5 -46.8 61.5 23.7 -8.7 220 223 A I H < S+ 0 0 98 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.908 121.2 34.7 -64.4 -43.4 64.1 22.3 -6.5 221 224 A N H < S- 0 0 16 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.744 82.4-153.6 -86.3 -28.1 61.8 20.7 -3.9 222 225 A Q < - 0 0 129 -4,-3.1 -3,-0.1 -5,-0.2 2,-0.1 0.942 19.7-161.9 52.0 52.5 58.9 19.6 -6.1 223 226 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.429 16.3-121.9 -66.8 139.7 56.4 19.8 -3.3 224 227 A N > - 0 0 75 3,-0.2 3,-2.1 1,-0.1 7,-0.5 -0.775 13.6-155.8 -91.9 116.3 53.2 17.9 -4.0 225 228 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.692 93.1 59.5 -61.8 -22.8 50.1 20.1 -3.8 226 229 A R T 3 S+ 0 0 73 1,-0.2 2,-0.4 2,-0.0 -2,-0.0 0.458 101.0 63.6 -88.0 5.1 47.9 17.2 -3.0 227 230 A D <> - 0 0 44 -3,-2.1 4,-2.5 1,-0.1 -3,-0.2 -0.837 60.3-176.1-133.2 95.1 50.0 16.5 0.1 228 231 A G H > S+ 0 0 1 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.814 87.7 52.7 -57.6 -40.4 49.9 19.4 2.7 229 232 A I H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 110.1 50.3 -65.5 -37.7 52.4 17.7 5.0 230 233 A D H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.962 112.2 46.4 -61.5 -49.8 54.7 17.4 2.0 231 234 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -7,-0.5 5,-0.4 0.937 111.7 50.7 -57.4 -51.8 54.3 21.0 1.1 232 235 A L H X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.883 113.0 45.0 -52.6 -49.1 54.8 22.2 4.6 233 236 A S H < S+ 0 0 6 -4,-2.1 -93,-1.8 -5,-0.2 -94,-0.8 0.812 117.6 43.1 -69.3 -33.4 58.0 20.3 5.2 234 237 A K H < S+ 0 0 46 -4,-2.0 -95,-1.3 -96,-0.2 -2,-0.2 0.964 136.8 4.1 -79.9 -58.2 59.6 21.1 1.9 235 238 A V H < S+ 0 0 0 -4,-2.5 -52,-0.3 -5,-0.2 -3,-0.2 0.137 115.5 80.1-118.6 19.3 58.9 24.8 1.4 236 239 A G < - 0 0 0 -4,-1.3 2,-0.3 -5,-0.4 -102,-0.1 0.179 68.1-129.8 -95.9-138.1 57.2 25.7 4.6 237 240 A G > - 0 0 0 1,-0.1 4,-2.6 -58,-0.1 5,-0.1 -0.967 29.4 -92.2-168.8 169.3 58.8 26.5 8.1 238 241 A F H > S+ 0 0 4 -172,-0.3 4,-2.6 -2,-0.3 5,-0.1 0.900 125.4 48.6 -58.9 -43.3 58.6 25.6 11.8 239 242 A D H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 110.2 50.4 -65.6 -39.9 56.2 28.5 12.4 240 243 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.950 111.3 49.9 -62.0 -48.0 54.0 27.5 9.4 241 244 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.953 108.8 51.4 -53.7 -53.2 53.9 24.0 10.8 242 245 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.798 108.4 51.9 -55.2 -37.0 53.0 25.2 14.3 243 246 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.937 108.9 49.4 -67.3 -47.1 50.1 27.3 12.9 244 247 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.930 109.3 55.3 -55.6 -41.1 48.7 24.4 11.0 245 248 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.874 104.2 51.7 -59.8 -42.0 49.0 22.4 14.3 246 249 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.942 110.3 50.5 -61.1 -43.9 46.9 24.9 16.3 247 250 A M H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.889 110.6 47.2 -61.0 -42.9 44.3 24.6 13.6 248 251 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.889 113.8 49.2 -68.7 -37.0 44.2 20.9 13.7 249 252 A G H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.885 109.2 49.3 -68.8 -42.1 44.1 20.9 17.5 250 253 A A H <>S+ 0 0 0 -4,-2.8 5,-4.0 1,-0.2 -1,-0.2 0.888 113.3 49.0 -65.0 -36.2 41.3 23.3 17.8 251 254 A A H ><5S+ 0 0 0 -4,-1.6 3,-1.3 -5,-0.3 -2,-0.2 0.917 110.7 48.2 -69.2 -43.2 39.3 21.4 15.3 252 255 A R H 3<5S+ 0 0 95 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.904 112.4 50.4 -62.1 -39.6 39.9 18.1 17.0 253 256 A a T 3<5S- 0 0 26 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.486 118.2-117.5 -74.3 -8.0 38.9 19.8 20.3 254 257 A G T < 5S+ 0 0 1 -3,-1.3 -206,-1.7 1,-0.2 -205,-0.4 0.748 70.3 131.6 73.9 26.6 35.7 21.0 18.5 255 258 A L < - 0 0 7 -5,-4.0 -1,-0.2 -6,-0.2 2,-0.2 -0.766 57.0-104.5-117.2 159.1 36.7 24.7 18.9 256 259 A P - 0 0 3 0, 0.0 -89,-2.3 0, 0.0 2,-0.4 -0.514 25.4-161.2 -82.7 144.1 37.0 27.8 16.9 257 260 A V E -ef 167 282B 0 24,-2.6 26,-2.2 -2,-0.2 2,-0.5 -0.985 9.8-143.8-127.5 130.3 40.1 29.4 15.6 258 261 A L E -ef 168 283B 0 -91,-3.0 -89,-1.8 -2,-0.4 60,-0.1 -0.796 17.9-142.5 -93.5 127.6 40.6 32.9 14.4 259 262 A L - 0 0 0 24,-2.9 27,-0.2 -2,-0.5 -89,-0.0 -0.366 9.8-158.8 -80.3 167.7 43.0 33.3 11.5 260 263 A D - 0 0 3 1,-0.4 26,-0.6 25,-0.1 25,-0.5 0.374 41.9 -51.1-110.1-114.0 45.3 36.3 11.2 261 264 A G S > S- 0 0 8 26,-0.1 4,-2.3 24,-0.1 -1,-0.4 0.003 83.1 -40.0-109.0-148.5 46.8 37.5 7.9 262 265 A F H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.851 130.9 50.6 -49.5 -51.3 48.7 36.1 4.9 263 266 A L H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.964 112.5 49.0 -55.9 -49.2 51.0 33.7 6.8 264 267 A S H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.884 105.7 56.8 -59.4 -37.6 48.0 32.3 8.6 265 268 A Y H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.933 105.4 52.9 -58.6 -43.6 46.1 31.9 5.3 266 269 A S H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.899 109.6 46.9 -54.9 -48.2 49.1 29.7 4.1 267 270 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.812 110.0 54.6 -65.8 -32.4 48.8 27.5 7.1 268 271 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.817 103.3 54.7 -72.8 -32.8 45.1 27.3 6.7 269 272 A L H X S+ 0 0 16 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.943 111.2 46.7 -64.7 -41.0 45.4 26.1 3.1 270 273 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.929 111.5 49.3 -66.4 -46.1 47.7 23.3 4.4 271 274 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 7,-0.2 0.903 113.3 46.7 -62.2 -40.0 45.4 22.3 7.2 272 275 A C H < S+ 0 0 25 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.835 112.2 52.0 -69.7 -30.5 42.4 22.2 4.9 273 276 A Q H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.900 115.7 39.8 -68.7 -44.3 44.5 20.2 2.5 274 277 A I H < S+ 0 0 34 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.813 138.2 9.1 -73.1 -36.0 45.5 17.8 5.2 275 278 A A >< - 0 0 8 -4,-3.0 3,-2.3 -5,-0.2 4,-0.3 -0.723 54.7-170.9-155.0 98.0 42.0 17.7 6.7 276 279 A P G > S+ 0 0 98 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.816 86.1 75.3 -56.5 -31.9 39.0 19.3 5.1 277 280 A A G 3 S+ 0 0 46 1,-0.3 4,-0.1 2,-0.1 -5,-0.1 0.590 84.6 69.7 -56.1 -11.4 37.1 18.6 8.3 278 281 A V G X> S+ 0 0 0 -3,-2.3 3,-2.0 -7,-0.2 4,-0.5 0.807 77.0 81.2 -77.0 -29.6 39.1 21.6 9.6 279 282 A R G X4 S+ 0 0 80 -3,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.825 81.3 58.5 -43.0 -55.8 37.3 24.2 7.6 280 283 A P G 34 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.605 102.9 56.0 -58.1 -14.7 34.2 24.7 9.6 281 284 A Y G <4 S+ 0 0 1 -3,-2.0 -24,-2.6 -4,-0.1 2,-0.2 0.594 87.4 98.8 -94.1 -13.5 36.3 25.7 12.7 282 285 A L E << -f 257 0B 3 -3,-1.8 -24,-0.2 -4,-0.5 -35,-0.0 -0.546 50.4-171.9 -80.0 140.3 38.1 28.5 10.9 283 286 A I E -f 258 0B 0 -26,-2.2 -24,-2.9 -2,-0.2 19,-0.0 -0.979 19.0-134.1-135.3 117.0 37.1 32.1 11.2 284 287 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 -23,-0.1 -0.243 21.0-176.7 -64.1 156.5 38.6 34.8 9.1 285 288 A S - 0 0 0 1,-0.5 21,-2.1 -25,-0.5 20,-1.4 0.550 53.7 -8.4-115.9 -81.3 39.7 38.0 10.9 286 289 A H B -h 306 0D 4 -26,-0.6 2,-0.9 19,-0.2 -1,-0.5 -0.676 64.1-107.1-120.4 172.1 41.0 40.7 8.7 287 290 A F - 0 0 68 19,-2.7 22,-0.6 -2,-0.2 21,-0.3 -0.846 41.6-134.4-104.1 98.6 42.0 41.2 5.2 288 291 A S - 0 0 7 -2,-0.9 23,-0.2 -28,-0.2 5,-0.1 -0.149 6.6-134.7 -54.3 142.1 45.8 41.4 5.0 289 292 A A + 0 0 52 21,-2.6 22,-0.1 4,-0.1 -1,-0.1 0.503 69.9 118.8 -75.1 -4.3 47.6 44.1 3.0 290 293 A E S > S- 0 0 16 20,-0.4 3,-1.8 1,-0.1 4,-0.3 -0.419 74.4-121.8 -65.2 139.2 49.9 41.4 1.6 291 294 A K T 3 S+ 0 0 126 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.823 108.8 50.7 -49.1 -46.2 49.8 41.0 -2.2 292 295 A G T 3> S+ 0 0 0 -97,-0.8 4,-2.4 1,-0.2 -1,-0.3 0.433 82.8 100.6 -78.5 2.6 48.8 37.3 -2.2 293 296 A A H <> S+ 0 0 1 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.921 77.5 50.1 -51.7 -55.3 45.9 37.9 0.3 294 297 A R H > S+ 0 0 60 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.870 113.8 44.7 -56.0 -41.4 43.1 37.9 -2.3 295 298 A I H > S+ 0 0 42 -4,-0.3 4,-2.4 2,-0.2 5,-0.2 0.953 113.0 49.2 -68.8 -51.0 44.1 34.7 -3.9 296 299 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.900 114.2 47.0 -53.7 -43.5 44.8 32.8 -0.8 297 300 A L H X>S+ 0 0 5 -4,-2.6 5,-2.5 -5,-0.2 4,-1.0 0.847 108.1 54.7 -67.4 -39.0 41.4 33.9 0.6 298 301 A A H <5S+ 0 0 63 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.894 107.6 50.4 -63.6 -39.8 39.6 33.0 -2.5 299 302 A H H <5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.807 113.0 46.0 -68.7 -26.6 41.0 29.5 -2.3 300 303 A L H <5S- 0 0 6 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.607 107.1-131.7 -86.3 -15.3 39.8 29.3 1.3 301 304 A S T <5 + 0 0 95 -4,-1.0 2,-0.4 -3,-0.3 -3,-0.2 0.913 58.7 142.8 63.2 43.0 36.4 30.7 0.2 302 305 A M < - 0 0 19 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.953 42.2-162.8-121.5 139.8 36.7 33.2 3.1 303 306 A E - 0 0 57 -2,-0.4 -16,-0.1 -3,-0.1 -5,-0.0 -0.947 25.3-136.6-118.1 110.7 35.6 36.9 3.3 304 307 A P - 0 0 5 0, 0.0 -18,-0.2 0, 0.0 -17,-0.1 -0.227 2.8-139.6 -64.5 158.7 37.3 38.6 6.3 305 308 A Y S S+ 0 0 49 -20,-1.4 2,-0.4 1,-0.1 -19,-0.2 0.855 81.1 59.6 -82.0 -41.2 35.3 40.9 8.5 306 309 A L B -h 286 0D 34 -21,-2.1 -19,-2.7 11,-0.0 2,-0.7 -0.809 53.4-169.4-100.9 131.4 38.0 43.7 9.0 307 310 A H + 0 0 138 -2,-0.4 -19,-0.1 -21,-0.2 -21,-0.1 -0.893 35.7 138.1-117.2 91.1 39.6 45.8 6.3 308 311 A M - 0 0 100 -2,-0.7 -1,-0.1 -21,-0.3 3,-0.1 0.404 64.7-122.0-116.2 -2.3 42.4 47.5 8.2 309 312 A A + 0 0 73 -22,-0.6 2,-0.2 1,-0.2 -21,-0.1 0.799 55.0 167.7 60.8 31.3 45.3 47.3 5.7 310 313 A M + 0 0 35 -23,-0.3 -21,-2.6 1,-0.1 -20,-0.4 -0.469 24.6 159.3 -80.9 148.9 47.2 45.4 8.4 311 314 A R + 0 0 134 -23,-0.2 -1,-0.1 -2,-0.2 -23,-0.0 -0.037 43.5 103.6-157.8 34.6 50.4 43.5 7.7 312 315 A L - 0 0 101 1,-0.2 2,-0.2 -112,-0.1 -217,-0.1 0.840 56.4-166.9 -89.9 -40.2 52.1 43.2 11.0 313 316 A G > + 0 0 15 1,-0.1 3,-2.3 -141,-0.1 -1,-0.2 -0.606 46.6 120.2 86.2-147.0 51.4 39.5 11.7 314 317 A E T 3 S- 0 0 8 -143,-1.0 -144,-0.1 1,-0.3 -1,-0.1 0.360 108.8 -72.5 68.0 -7.5 52.0 38.2 15.3 315 318 A G T 3> S+ 0 0 0 -145,-0.1 4,-1.9 -253,-0.0 -1,-0.3 0.639 96.7 137.8 93.5 18.1 48.4 37.3 15.5 316 319 A S H <> S+ 0 0 2 -3,-2.3 4,-1.7 1,-0.2 -2,-0.1 0.883 71.0 49.7 -65.1 -37.1 47.5 41.0 15.8 317 320 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.912 107.2 55.8 -66.0 -42.9 44.5 40.6 13.4 318 321 A A H >> S+ 0 0 0 -149,-0.3 4,-0.8 1,-0.2 3,-0.7 0.945 109.0 45.6 -54.1 -52.3 43.2 37.6 15.3 319 322 A A H >< S+ 0 0 1 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.906 107.8 59.1 -58.8 -42.7 43.1 39.6 18.6 320 323 A L H 3< S+ 0 0 54 -4,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.830 105.3 49.3 -58.3 -32.4 41.5 42.4 16.8 321 324 A A H XX S+ 0 0 1 -4,-1.6 4,-1.6 -3,-0.7 3,-0.7 0.604 84.0 91.2 -85.7 -11.4 38.5 40.2 15.7 322 325 A M H S+ 0 0 65 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.852 103.5 57.5 -62.1 -31.5 35.2 41.3 20.1 324 327 A I H <> S+ 0 0 43 -3,-0.7 4,-1.8 -4,-0.3 -2,-0.2 0.949 106.9 48.1 -63.5 -43.8 33.3 40.6 17.0 325 328 A V H X S+ 0 0 1 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.906 112.1 49.1 -63.3 -38.6 33.1 37.0 18.1 326 329 A E H X S+ 0 0 71 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.899 106.2 57.9 -66.6 -37.2 31.9 38.2 21.5 327 330 A A H X S+ 0 0 43 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.880 101.0 54.8 -59.1 -41.9 29.4 40.5 19.9 328 331 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.854 109.4 48.5 -62.7 -32.4 27.7 37.6 18.1 329 332 A C H X S+ 0 0 12 -4,-1.1 4,-2.3 -3,-0.3 5,-0.3 0.921 111.0 48.9 -72.2 -43.9 27.3 35.8 21.4 330 333 A A H X S+ 0 0 44 -4,-2.2 4,-3.6 2,-0.2 5,-0.5 0.906 111.3 50.9 -59.8 -45.0 25.8 38.8 23.1 331 334 A M H X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.986 111.6 48.0 -54.6 -58.7 23.5 39.3 20.3 332 335 A F H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.792 124.3 29.3 -49.3 -42.0 22.4 35.7 20.5 333 336 A H H < S+ 0 0 91 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.783 122.0 40.8 -97.2 -35.0 21.9 35.8 24.2 334 337 A N H < S+ 0 0 129 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.654 84.1 101.6 -96.7 -11.8 20.9 39.2 25.2 335 338 A M < - 0 0 58 -4,-1.8 2,-0.0 -5,-0.5 -4,-0.0 -0.451 69.1-120.5 -73.6 149.3 18.5 40.4 22.6 336 339 A G - 0 0 35 -2,-0.1 -309,-2.7 -309,-0.1 2,-0.4 -0.230 29.0-105.0 -78.9 170.8 14.8 40.4 23.3 337 340 A E B > -A 26 0A 98 -311,-0.3 3,-0.7 1,-0.1 4,-0.5 -0.830 8.0-134.4-107.9 142.8 12.2 38.5 21.2 338 341 A L G >>>S+ 0 0 23 -313,-2.5 5,-2.1 -2,-0.4 3,-1.7 0.864 105.6 57.2 -50.8 -47.1 9.7 39.8 18.7 339 342 A A G >45S+ 0 0 78 -314,-0.4 3,-0.8 1,-0.3 -1,-0.3 0.861 99.1 59.1 -57.5 -37.3 6.9 37.7 20.2 340 343 A A G <45S+ 0 0 80 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.613 109.2 44.9 -68.9 -12.6 7.4 39.3 23.6 341 344 A S G <45S- 0 0 59 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.484 110.6-121.2-106.1 -6.6 6.7 42.7 22.0 342 345 A N T <<5 + 0 0 145 -3,-0.8 2,-0.4 -4,-0.8 -3,-0.2 0.737 63.4 149.8 71.2 21.6 3.7 41.4 20.0 343 346 A I < - 0 0 75 -5,-2.1 2,-0.5 -6,-0.1 -1,-0.3 -0.724 29.4-166.1 -90.8 136.2 5.5 42.5 16.9 344 347 A V - 0 0 128 -2,-0.4 -5,-0.0 -3,-0.1 0, 0.0 -0.986 6.7-179.0-126.0 124.6 5.0 40.5 13.7 345 348 A L 0 0 74 -2,-0.5 -317,-0.0 -317,-0.1 -2,-0.0 -0.958 360.0 360.0-125.6 141.7 7.2 40.9 10.7 346 349 A P 0 0 168 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.233 360.0 360.0 -49.7 360.0 7.0 39.2 7.3