==== 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 07-MAR-02 1L5K . COMPND 2 MOLECULE: NICOTINATE-NUCLEOTIDE--DIMETHYLBENZIMIDAZOLE . 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) . 12761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.5 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 . 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 . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 38.7 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 1 1 1 2 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 0 0 0 0 2 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 64 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -34.8 48.4 11.7 13.9 2 5 A H H > + 0 0 80 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.909 360.0 52.0 -65.5 -40.0 46.1 9.6 11.8 3 6 A A H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 108.8 51.6 -58.6 -48.3 44.0 9.1 14.9 4 7 A L H 4 S+ 0 0 31 1,-0.2 3,-0.4 2,-0.2 -2,-0.2 0.958 111.9 42.9 -51.9 -62.4 44.0 12.8 15.4 5 8 A L H >< S+ 0 0 43 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.808 113.7 54.6 -57.6 -32.6 42.7 13.7 11.9 6 9 A R H 3< S+ 0 0 177 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.878 104.6 52.9 -70.1 -39.2 40.2 10.9 12.1 7 10 A D T 3< S+ 0 0 65 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.196 72.7 126.7 -85.7 16.2 38.6 12.0 15.3 8 11 A I < - 0 0 15 -3,-0.8 244,-0.2 -4,-0.1 245,-0.1 -0.651 62.0-125.4 -75.4 119.5 37.9 15.6 14.2 9 12 A P - 0 0 38 0, 0.0 245,-0.1 0, 0.0 3,-0.1 -0.327 13.0-126.4 -69.1 145.7 34.2 16.1 14.9 10 13 A A - 0 0 75 1,-0.1 267,-0.0 -2,-0.1 268,-0.0 -0.463 43.6 -82.4 -82.7 162.3 31.7 17.2 12.3 11 14 A P - 0 0 59 0, 0.0 2,-1.2 0, 0.0 35,-0.2 -0.334 41.2-112.7 -66.3 149.5 29.5 20.3 13.0 12 15 A D > - 0 0 64 33,-2.7 4,-2.0 1,-0.2 3,-0.2 -0.700 31.2-176.0 -86.6 94.3 26.3 19.8 15.1 13 16 A A H > S+ 0 0 74 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.816 80.7 58.4 -60.3 -32.5 23.5 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 0.934 107.4 44.8 -64.2 -47.5 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 0.904 112.3 53.2 -63.8 -40.8 22.4 22.8 17.5 16 19 A M H X S+ 0 0 53 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.870 106.5 52.8 -62.3 -37.8 22.7 25.1 14.4 17 20 A A H X S+ 0 0 64 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.923 110.2 46.6 -65.0 -45.0 19.1 24.6 13.5 18 21 A R H X S+ 0 0 135 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.865 111.8 54.2 -64.9 -33.3 17.9 25.6 17.0 19 22 A T H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.939 107.1 48.2 -65.3 -48.4 20.3 28.5 16.8 20 23 A Q H X S+ 0 0 73 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.931 111.3 50.7 -58.1 -48.1 18.9 29.8 13.5 21 24 A Q H X S+ 0 0 65 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.910 111.6 48.2 -57.2 -44.7 15.3 29.6 14.8 22 25 A H H >< S+ 0 0 63 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.920 112.0 48.2 -63.8 -44.1 16.2 31.5 17.9 23 26 A I H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.893 106.2 58.3 -64.0 -39.0 18.1 34.3 16.0 24 27 A D H 3< S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.797 104.5 52.5 -62.3 -27.0 15.1 34.6 13.6 25 28 A G T << S+ 0 0 27 -4,-1.1 313,-2.4 -3,-0.5 314,-0.4 0.417 84.9 116.5 -91.0 4.1 12.9 35.4 16.5 26 29 A L B < S-A 337 0A 0 -3,-1.7 2,-2.9 311,-0.2 311,-0.3 -0.257 86.6 -84.9 -72.3 160.5 15.0 38.2 18.0 27 30 A L S S+ 0 0 72 309,-2.8 -1,-0.1 311,-0.0 309,-0.1 -0.315 100.8 72.4 -64.4 68.8 13.8 41.8 18.2 28 31 A K S S- 0 0 13 -2,-2.9 310,-0.1 -4,-0.2 3,-0.1 -0.971 95.6 -72.7-173.3 159.9 14.9 42.7 14.6 29 32 A P S > S- 0 0 77 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.437 71.1 -90.4 -62.8 134.0 14.0 42.3 11.0 30 33 A P T 3 S+ 0 0 63 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.200 108.5 3.4 -49.4 132.0 14.9 38.7 10.1 31 34 A G T > S+ 0 0 40 -8,-0.1 3,-1.7 -3,-0.1 6,-0.1 0.441 90.3 127.5 71.1 2.6 18.5 38.5 8.8 32 35 A S T < + 0 0 64 -3,-2.4 -1,-0.1 1,-0.3 0, 0.0 0.690 66.9 58.3 -64.9 -20.4 19.2 42.2 9.4 33 36 A L T >> S- 0 0 66 -4,-0.3 3,-1.9 1,-0.2 4,-0.5 0.272 87.4-175.2 -93.4 12.7 22.3 41.5 11.4 34 37 A G H X> + 0 0 35 -3,-1.7 3,-1.7 1,-0.3 4,-1.4 0.083 62.5 12.3 36.1-122.8 23.8 39.6 8.4 35 38 A R H 3> S+ 0 0 114 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.697 121.0 66.1 -58.7 -20.9 27.2 38.0 9.0 36 39 A L H <> S+ 0 0 47 -3,-1.9 4,-1.6 2,-0.2 -1,-0.3 0.850 104.4 46.9 -69.4 -30.5 26.9 38.4 12.7 37 40 A E H < S+ 0 0 47 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.935 109.3 48.4 -56.9 -49.4 28.6 28.7 13.0 43 46 A L H >< S+ 0 0 1 -4,-2.5 3,-2.0 1,-0.2 6,-0.2 0.912 105.0 59.0 -58.1 -44.5 29.8 28.8 16.6 44 47 A A H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 7,-0.2 0.791 100.1 58.0 -57.5 -28.6 26.7 26.9 17.7 45 48 A G T << S+ 0 0 0 -4,-1.2 -33,-2.7 -3,-0.7 -1,-0.3 0.606 81.7 99.9 -78.9 -10.3 27.7 24.0 15.5 46 49 A M X - 0 0 3 -3,-2.0 3,-2.6 -4,-0.4 5,-0.3 -0.678 67.3-148.5 -82.4 111.8 31.1 23.6 17.2 47 50 A P G > S+ 0 0 54 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.801 93.8 62.8 -46.2 -40.6 30.8 20.7 19.7 48 51 A G G 3 S+ 0 0 27 206,-1.7 207,-0.2 1,-0.3 206,-0.1 0.660 95.3 63.9 -64.1 -13.4 33.3 22.2 22.1 49 52 A L G X S- 0 0 0 -3,-2.6 3,-0.8 205,-0.4 -1,-0.3 0.294 108.7-117.6 -94.7 7.9 30.9 25.1 22.6 50 53 A N T < - 0 0 117 -3,-1.7 -2,-0.1 1,-0.2 -6,-0.1 0.910 65.6 -59.2 58.2 48.9 28.1 23.1 24.2 51 54 A G T 3 S+ 0 0 19 -5,-0.3 -1,-0.2 -7,-0.2 -7,-0.1 0.644 118.5 78.1 58.5 22.6 25.4 23.7 21.6 52 55 A T S < S- 0 0 28 -3,-0.8 2,-0.6 -6,-0.3 -1,-0.1 -0.990 88.4 -98.6-158.0 145.3 25.4 27.5 21.8 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 280,-0.1 -0.543 64.3 142.9 -69.0 114.5 27.5 30.5 20.7 54 57 A Q - 0 0 61 -2,-0.6 2,-0.4 111,-0.1 -2,-0.1 -0.975 38.5-150.5-148.9 159.5 29.6 31.3 23.7 55 58 A V + 0 0 37 -2,-0.3 3,-0.1 271,-0.1 109,-0.1 -0.973 18.6 166.3-137.9 120.5 33.1 32.5 24.6 56 59 A G - 0 0 32 1,-0.4 2,-0.2 -2,-0.4 108,-0.2 0.500 63.9 -7.4 -97.4-116.5 35.0 31.7 27.8 57 60 A E E -b 164 0B 125 106,-2.1 108,-2.4 103,-0.1 109,-1.3 -0.548 69.5-145.7 -81.4 149.8 38.7 32.3 28.1 58 61 A K E -bc 166 105B 25 46,-0.5 48,-2.5 106,-0.2 2,-0.4 -0.918 14.9-174.4-118.7 143.4 40.6 33.5 24.9 59 62 A A E -bc 167 106B 1 107,-2.1 109,-1.8 -2,-0.4 2,-0.5 -0.998 14.7-155.5-140.8 139.1 44.1 32.7 23.9 60 63 A V E -bc 168 107B 0 46,-2.6 48,-3.2 -2,-0.4 2,-0.6 -0.959 14.8-154.0-111.5 124.8 46.4 33.8 21.1 61 64 A L E -bc 169 108B 0 107,-2.9 109,-2.4 -2,-0.5 2,-0.7 -0.892 6.3-164.6-104.2 117.2 49.2 31.3 20.2 62 65 A V E -bc 170 109B 0 46,-2.7 48,-3.0 -2,-0.6 2,-0.6 -0.882 4.7-156.9-106.2 112.7 52.3 32.9 18.6 63 66 A M E -bc 171 110B 0 107,-2.6 109,-1.8 -2,-0.7 2,-0.4 -0.777 13.3-165.8 -90.9 120.1 54.6 30.4 16.8 64 67 A C E +bc 172 111B 0 46,-3.1 48,-2.6 -2,-0.6 49,-1.1 -0.878 21.0 135.4-113.4 137.8 58.2 31.7 16.5 65 68 A A E - c 0 113B 0 107,-2.1 49,-0.3 -2,-0.4 2,-0.3 -0.975 41.1-117.6-170.0 158.0 61.0 30.4 14.4 66 69 A D - 0 0 3 47,-2.5 65,-1.9 -2,-0.3 2,-0.4 -0.698 23.3-140.4-103.9 158.6 63.8 31.4 12.1 67 70 A H B > -g 131 0C 2 107,-0.6 3,-1.2 -2,-0.3 4,-0.2 -0.952 11.8-144.8-122.7 138.6 64.2 30.5 8.4 68 71 A G G > S+ 0 0 9 63,-0.8 3,-1.9 64,-0.5 65,-0.3 0.796 96.3 73.4 -69.4 -26.7 67.3 29.6 6.5 69 72 A V G > >S+ 0 0 2 63,-0.4 3,-1.9 1,-0.3 5,-0.6 0.583 73.0 86.6 -65.1 -7.1 66.0 31.4 3.4 70 73 A W G X 5S+ 0 0 67 -3,-1.2 3,-1.9 1,-0.3 5,-0.4 0.874 78.0 65.9 -59.3 -34.5 66.8 34.6 5.2 71 74 A D G < 5S+ 0 0 113 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.613 85.7 71.3 -63.9 -11.5 70.3 34.3 3.7 72 75 A E G < 5S- 0 0 47 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.411 114.3-111.7 -85.2 2.5 68.8 34.8 0.2 73 76 A G T < 5S+ 0 0 43 -3,-1.9 -2,-0.1 -4,-0.1 137,-0.1 0.807 77.6 131.3 73.4 31.2 68.2 38.4 1.0 74 77 A V < + 0 0 3 -5,-0.6 2,-0.4 -4,-0.3 101,-0.1 0.456 62.8 53.7 -93.0 -2.4 64.4 38.2 1.0 75 78 A A - 0 0 21 -5,-0.4 4,-0.1 -6,-0.1 -2,-0.1 -0.998 57.0-161.8-136.6 137.8 63.9 40.1 4.3 76 79 A V + 0 0 84 -2,-0.4 -1,-0.1 124,-0.3 125,-0.1 0.517 67.2 95.3 -94.9 -7.3 65.2 43.5 5.4 77 80 A S S S- 0 0 30 1,-0.1 5,-0.1 123,-0.1 -2,-0.1 -0.706 88.7-104.1 -86.1 134.9 64.7 42.9 9.2 78 81 A P > - 0 0 79 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.295 26.4-124.1 -55.6 135.9 67.8 41.7 11.0 79 82 A K T > S+ 0 0 47 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.809 109.0 66.2 -54.0 -30.5 67.5 37.9 11.7 80 83 A I T >> S+ 0 0 61 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.754 80.7 79.1 -63.0 -25.7 68.1 38.7 15.5 81 84 A V H <> S+ 0 0 46 -3,-2.1 4,-3.1 1,-0.2 5,-0.3 0.796 83.5 63.9 -55.4 -29.5 64.8 40.6 15.6 82 85 A T H <> S+ 0 0 0 -3,-1.3 4,-1.6 -4,-0.4 -1,-0.2 0.963 109.2 37.9 -59.0 -51.9 63.0 37.2 15.8 83 86 A A H <> S+ 0 0 21 -3,-0.5 4,-1.8 -4,-0.5 -2,-0.2 0.891 118.6 49.4 -66.5 -41.5 64.6 36.4 19.2 84 87 A I H X S+ 0 0 97 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.954 113.4 44.5 -63.8 -51.0 64.4 40.0 20.4 85 88 A Q H X S+ 0 0 44 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.812 108.6 59.1 -65.1 -29.6 60.7 40.4 19.5 86 89 A A H X S+ 0 0 0 -4,-1.6 4,-0.8 -5,-0.3 -1,-0.2 0.915 106.8 47.3 -65.9 -40.1 60.0 37.0 21.0 87 90 A A H >X S+ 0 0 15 -4,-1.8 3,-1.2 1,-0.2 4,-0.6 0.924 107.0 56.6 -65.9 -43.0 61.3 38.2 24.3 88 91 A N H ><>S+ 0 0 32 -4,-2.2 5,-1.4 1,-0.3 3,-1.2 0.819 96.6 66.0 -57.5 -28.9 59.3 41.4 24.1 89 92 A M H ><5S+ 0 0 8 -4,-1.4 3,-1.1 1,-0.3 -1,-0.3 0.887 97.4 53.1 -59.5 -38.7 56.3 39.2 23.7 90 93 A T H <<5S+ 0 0 65 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.635 107.3 53.2 -72.7 -11.5 56.8 38.0 27.3 91 94 A R T <<5S- 0 0 165 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.433 107.3-124.0-101.5 -1.8 56.9 41.7 28.4 92 95 A G T < 5S+ 0 0 41 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.736 78.5 114.5 67.2 26.1 53.5 42.6 26.8 93 96 A T < + 0 0 96 -5,-1.4 -4,-0.1 4,-0.1 -1,-0.1 0.513 48.1 95.2-104.7 -6.4 54.9 45.4 24.7 94 97 A T S > S- 0 0 6 -6,-0.4 4,-2.0 -9,-0.1 5,-0.2 -0.304 87.2-102.4 -81.3 169.2 54.4 44.0 21.2 95 98 A G H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.882 120.4 46.5 -58.6 -44.3 51.4 44.7 18.9 96 99 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.871 110.2 55.5 -69.6 -33.6 49.6 41.4 19.5 97 100 A C H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 110.1 44.3 -62.2 -46.3 50.1 41.8 23.3 98 101 A V H X S+ 0 0 82 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.895 117.4 44.3 -66.6 -41.9 48.5 45.2 23.4 99 102 A L H X S+ 0 0 53 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.855 113.3 51.3 -72.3 -34.8 45.6 44.2 21.2 100 103 A A H X>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 4,-0.7 0.909 108.4 51.7 -67.8 -41.1 45.1 40.8 23.0 101 104 A A H ><5S+ 0 0 71 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.866 106.9 54.1 -62.6 -35.3 45.0 42.7 26.4 102 105 A Q H 3<5S+ 0 0 163 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 111.8 44.5 -67.0 -33.3 42.3 44.9 24.9 103 106 A A H 3<5S- 0 0 10 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.479 115.6-115.9 -88.2 -4.8 40.3 41.8 24.0 104 107 A G T <<5 + 0 0 50 -4,-0.7 -46,-0.5 -3,-0.6 2,-0.3 0.835 69.8 137.3 73.5 32.3 41.0 40.2 27.4 105 108 A A E < -c 58 0B 12 -5,-2.9 2,-0.4 -8,-0.1 -1,-0.3 -0.821 51.5-126.0-112.1 152.2 42.9 37.3 25.8 106 109 A K E -c 59 0B 54 -48,-2.5 -46,-2.6 -2,-0.3 2,-0.5 -0.789 19.5-136.7 -98.2 138.9 46.2 35.7 27.0 107 110 A V E -c 60 0B 38 -2,-0.4 2,-0.6 -48,-0.2 -46,-0.2 -0.807 11.5-161.8 -98.0 129.9 49.1 35.4 24.7 108 111 A H E -c 61 0B 45 -48,-3.2 -46,-2.7 -2,-0.5 2,-0.6 -0.943 7.3-155.4-111.4 113.8 51.1 32.2 24.5 109 112 A V E -c 62 0B 10 -2,-0.6 14,-2.9 12,-0.3 2,-0.5 -0.804 13.4-171.5 -92.5 119.1 54.6 32.6 23.0 110 113 A I E -cd 63 123B 0 -48,-3.0 -46,-3.1 -2,-0.6 2,-0.8 -0.943 15.6-150.8-117.9 124.6 55.9 29.3 21.6 111 114 A D E +cd 64 124B 4 12,-3.2 14,-2.6 -2,-0.5 -46,-0.2 -0.823 26.6 161.0 -92.6 110.5 59.4 28.8 20.3 112 115 A V E S- 0 0 0 -48,-2.6 15,-2.3 -2,-0.8 16,-0.4 0.401 80.5 -15.0-108.5 -0.8 59.3 26.1 17.6 113 116 A G E S+c 65 0B 0 -49,-1.1 -47,-2.5 13,-0.3 17,-0.8 0.374 71.8 164.2 167.5 40.9 62.7 27.0 16.0 114 117 A I - 0 0 0 -49,-0.3 2,-1.6 -50,-0.3 16,-0.1 -0.530 39.2-129.8 -74.2 138.4 64.3 30.3 16.9 115 118 A D S S+ 0 0 60 14,-0.2 2,-0.3 -2,-0.2 -32,-0.1 -0.552 79.4 68.0 -89.5 71.7 68.0 30.5 15.9 116 119 A A S S- 0 0 23 -2,-1.6 3,-0.1 -34,-0.1 -2,-0.1 -0.953 96.1 -60.1-169.8 173.9 69.2 31.8 19.3 117 120 A E S S- 0 0 150 -2,-0.3 -3,-0.0 1,-0.1 -2,-0.0 -0.309 73.9 -79.0 -65.9 154.6 69.6 30.6 22.9 118 121 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.219 45.1-132.7 -54.0 142.3 66.4 29.6 24.7 119 122 A I > - 0 0 27 -3,-0.1 3,-1.9 4,-0.1 -8,-0.1 -0.892 19.3-121.6-104.4 120.7 64.3 32.6 25.9 120 123 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -30,-0.1 -0.293 97.2 24.8 -58.7 138.6 63.0 32.4 29.5 121 124 A G T 3 S+ 0 0 76 1,-0.3 2,-0.3 3,-0.0 -12,-0.3 0.195 97.2 111.8 92.9 -18.1 59.3 32.6 29.8 122 125 A V S < S- 0 0 16 -3,-1.9 2,-0.3 -14,-0.1 -1,-0.3 -0.721 78.2-108.7 -92.2 138.8 58.7 31.3 26.2 123 126 A V E -d 110 0B 41 -14,-2.9 -12,-3.2 -2,-0.3 2,-0.7 -0.515 35.5-134.5 -67.2 123.5 57.2 27.8 25.7 124 127 A N E +d 111 0B 98 -2,-0.3 -12,-0.1 -14,-0.2 -1,-0.1 -0.737 55.6 129.8 -90.3 112.9 59.9 25.6 24.4 125 128 A M + 0 0 42 -14,-2.6 -1,-0.1 -2,-0.7 2,-0.1 -0.046 30.6 161.1-143.3 26.9 59.1 23.3 21.5 126 129 A R - 0 0 55 1,-0.2 -13,-0.3 -13,-0.0 -14,-0.2 -0.329 25.6-170.1 -63.0 128.6 62.0 24.1 19.2 127 130 A V S S- 0 0 45 -15,-2.3 2,-0.3 1,-0.4 -14,-0.2 0.874 70.2 -32.3 -82.4 -41.7 62.7 21.6 16.4 128 131 A A S S- 0 0 40 -16,-0.4 2,-2.1 3,-0.0 -1,-0.4 -0.959 76.7 -74.8-167.6 169.6 66.1 23.2 15.5 129 132 A R S S- 0 0 133 -2,-0.3 -14,-0.2 -3,-0.1 -15,-0.2 -0.540 106.5 -33.7 -78.0 80.1 67.8 26.5 15.4 130 133 A G S S- 0 0 11 -2,-2.1 -63,-0.3 -17,-0.8 2,-0.1 0.160 81.4 -90.1 85.3 151.9 66.0 27.7 12.3 131 134 A C B -g 67 0C 9 -65,-1.9 -63,-0.8 1,-0.2 9,-0.2 -0.453 51.6 -79.2 -93.2 169.8 64.8 25.6 9.4 132 135 A G - 0 0 32 7,-2.5 2,-0.8 -2,-0.1 -64,-0.5 -0.230 52.6 -92.7 -65.8 157.8 66.7 24.8 6.3 133 136 A N >> - 0 0 29 -65,-0.3 3,-1.8 1,-0.2 4,-0.7 -0.617 32.6-155.0 -73.2 107.6 67.0 27.2 3.4 134 137 A I T 34 S+ 0 0 3 -2,-0.8 87,-0.2 1,-0.3 -1,-0.2 0.660 85.8 72.7 -60.4 -16.1 64.1 26.3 1.1 135 138 A A T 34 S+ 0 0 3 1,-0.2 -1,-0.3 85,-0.1 85,-0.1 0.771 111.5 25.8 -70.9 -23.8 65.9 27.8 -1.9 136 139 A V T <4 S- 0 0 102 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.325 134.8 -28.8-120.9 4.8 68.4 24.9 -2.0 137 140 A G S < S- 0 0 12 -4,-0.7 -1,-0.2 97,-0.1 84,-0.2 -0.980 89.3 -33.3 171.5-166.1 66.4 22.1 -0.3 138 141 A P - 0 0 70 0, 0.0 96,-0.2 0, 0.0 97,-0.2 -0.426 39.6-133.5 -79.9 155.7 63.6 21.3 2.1 139 142 A A S S- 0 0 5 94,-0.8 -7,-2.5 95,-0.8 2,-0.3 0.817 83.4 -24.1 -73.4 -32.5 62.9 23.3 5.3 140 143 A M S S- 0 0 12 93,-2.2 -1,-0.2 -9,-0.2 2,-0.2 -0.945 77.3 -78.0-164.8 178.8 62.7 20.1 7.3 141 144 A S > - 0 0 53 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.552 39.5-115.5 -89.6 158.2 62.0 16.3 7.1 142 145 A R H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 118.1 56.9 -58.7 -37.0 58.5 14.9 6.9 143 146 A L H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 105.1 49.5 -59.9 -47.1 59.1 13.3 10.3 144 147 A Q H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.856 111.2 50.3 -62.0 -36.3 59.9 16.7 11.9 145 148 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.950 112.0 45.6 -68.0 -48.5 56.7 18.2 10.4 146 149 A E H X S+ 0 0 67 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.891 112.1 52.0 -62.1 -40.6 54.4 15.5 11.6 147 150 A A H X S+ 0 0 62 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.907 111.1 46.6 -63.2 -43.0 56.0 15.5 15.1 148 151 A L H X S+ 0 0 8 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.911 109.2 55.4 -66.4 -41.5 55.5 19.2 15.5 149 152 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.922 111.4 43.9 -55.8 -46.8 51.9 19.0 14.3 150 153 A L H X S+ 0 0 44 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.940 114.5 49.0 -64.8 -48.6 51.1 16.4 16.9 151 154 A E H X S+ 0 0 47 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.940 115.1 42.8 -57.5 -51.8 52.9 18.3 19.7 152 155 A V H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.898 112.8 55.3 -62.9 -39.7 51.3 21.7 18.9 153 156 A S H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.921 109.3 45.6 -57.3 -49.1 47.9 19.9 18.5 154 157 A R H X S+ 0 0 66 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.922 112.2 51.2 -61.8 -47.0 48.0 18.3 21.9 155 158 A Y H X S+ 0 0 55 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.927 111.1 49.2 -56.7 -46.7 49.1 21.6 23.5 156 159 A T H >X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 3,-0.6 0.946 114.0 42.2 -59.7 -52.6 46.3 23.5 21.9 157 160 A a H 3X S+ 0 0 37 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.793 107.9 63.7 -68.0 -25.7 43.5 21.1 22.9 158 161 A D H >< S+ 0 0 61 -4,-2.2 3,-0.8 -5,-0.2 4,-0.3 0.864 97.2 55.9 -65.1 -35.9 45.1 20.8 26.3 159 162 A L H X<>S+ 0 0 25 -4,-1.4 3,-2.2 -3,-0.6 5,-1.5 0.841 94.9 67.3 -64.7 -32.4 44.4 24.5 26.9 160 163 A A H ><5S+ 0 0 25 -4,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.849 93.8 58.5 -55.7 -34.2 40.7 23.8 26.2 161 164 A Q T <<5S+ 0 0 96 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.646 100.9 57.8 -71.2 -12.8 40.7 21.8 29.4 162 165 A R T < 5S- 0 0 77 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.415 131.9 -86.0 -96.5 -0.8 41.8 25.0 31.2 163 166 A G T < 5S+ 0 0 32 -3,-1.4 -106,-2.1 1,-0.3 2,-0.3 0.360 80.0 141.1 114.5 -5.5 38.8 27.0 30.0 164 167 A V E < +b 57 0B 13 -5,-1.5 -1,-0.3 -108,-0.2 -106,-0.2 -0.552 11.8 161.7 -73.5 130.4 39.9 28.3 26.6 165 168 A T E + 0 0 19 -108,-2.4 2,-0.4 -2,-0.3 -107,-0.2 0.475 62.1 50.6-123.2 -12.4 37.0 28.3 24.1 166 169 A L E -b 58 0B 1 -109,-1.3 -107,-2.1 89,-0.1 2,-0.3 -0.984 66.6-164.5-134.4 124.3 38.4 30.6 21.4 167 170 A F E -be 59 257B 0 89,-2.2 91,-3.2 -2,-0.4 2,-0.4 -0.761 6.9-164.7-110.0 155.0 41.8 30.5 19.8 168 171 A G E -be 60 258B 0 -109,-1.8 -107,-2.9 -2,-0.3 2,-0.4 -0.979 14.2-145.1-131.7 142.5 43.8 33.0 17.8 169 172 A V E +b 61 0B 0 89,-1.7 2,-0.3 -2,-0.4 149,-0.3 -0.885 25.8 156.1-114.5 143.4 46.8 32.0 15.7 170 173 A G E -b 62 0B 0 -109,-2.4 -107,-2.6 -2,-0.4 2,-0.3 -0.956 17.9-154.7-153.7 172.4 50.0 34.1 15.1 171 174 A E E -b 63 0B 10 -109,-0.3 143,-0.8 -2,-0.3 2,-0.3 -0.915 8.7-161.0-147.8 172.1 53.6 33.9 14.2 172 175 A L E +b 64 0B 9 -109,-1.8 -107,-2.1 -2,-0.3 2,-0.1 -0.870 36.4 121.6-158.8 119.1 57.0 35.6 14.4 173 176 A G > - 0 0 4 -2,-0.3 3,-2.0 -109,-0.2 4,-0.1 -0.494 55.8-115.5 175.4 111.3 60.0 34.9 12.1 174 177 A M T 3 S+ 0 0 22 -95,-0.3 -107,-0.6 1,-0.3 -104,-0.2 -0.280 101.2 15.0 -58.3 132.8 62.0 37.1 9.8 175 178 A A T > S+ 0 0 9 -101,-0.1 3,-1.5 -109,-0.1 -1,-0.3 0.460 83.9 128.4 82.5 6.8 61.6 36.2 6.1 176 179 A N T <> + 0 0 11 -3,-2.0 4,-1.6 1,-0.3 -2,-0.1 0.618 57.4 72.2 -72.0 -8.8 58.5 34.0 6.7 177 180 A T H 3> S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.656 91.7 62.7 -77.3 -11.1 56.4 35.6 4.0 178 181 A T H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.967 107.9 36.3 -76.0 -56.5 58.7 33.9 1.5 179 182 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.891 116.6 57.1 -64.1 -32.5 57.8 30.3 2.4 180 183 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.943 108.0 45.9 -60.0 -45.8 54.3 31.5 3.0 181 184 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.891 110.4 54.7 -64.3 -38.5 54.2 32.8 -0.6 182 185 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.944 109.1 46.4 -60.7 -48.7 55.7 29.6 -1.9 183 186 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 52,-0.3 5,-0.3 0.907 111.2 52.3 -61.1 -41.7 53.0 27.4 -0.2 184 187 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 6,-0.4 0.921 109.2 50.3 -61.0 -42.1 50.2 29.7 -1.5 185 188 A S H X>S+ 0 0 13 -4,-2.4 4,-2.2 3,-0.2 5,-0.6 0.931 114.6 44.1 -60.2 -47.0 51.6 29.4 -5.0 186 189 A V H <5S+ 0 0 17 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.946 118.2 40.9 -64.5 -53.0 51.7 25.6 -4.8 187 190 A F H <5S+ 0 0 36 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.881 124.9 37.9 -64.6 -39.0 48.3 25.1 -3.2 188 191 A T H <5S- 0 0 18 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.743 98.8-132.3 -85.2 -26.4 46.6 27.7 -5.4 189 192 A G T <5 + 0 0 70 -4,-2.2 2,-0.2 -5,-0.3 -3,-0.2 0.699 58.1 141.1 80.1 17.7 48.5 27.0 -8.6 190 193 A S < - 0 0 30 -5,-0.6 -1,-0.3 -6,-0.4 2,-0.1 -0.605 58.8 -98.6 -92.1 155.6 49.2 30.7 -9.1 191 194 A D >> - 0 0 88 -2,-0.2 3,-1.5 1,-0.1 4,-0.7 -0.446 31.1-117.2 -72.7 146.5 52.5 32.0 -10.4 192 195 A A H >> S+ 0 0 3 1,-0.3 3,-1.3 2,-0.2 4,-1.2 0.854 112.4 60.6 -49.2 -44.9 55.0 33.3 -7.8 193 196 A K H 34 S+ 0 0 38 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.794 102.3 54.7 -57.3 -28.9 54.8 36.9 -9.1 194 197 A E H <4 S+ 0 0 38 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.691 117.9 31.3 -79.5 -20.0 51.1 37.0 -8.3 195 198 A V H << S+ 0 0 0 -3,-1.3 2,-0.5 -4,-0.7 97,-0.5 0.351 90.3 103.0-121.9 6.5 51.5 36.0 -4.7 196 199 A V < - 0 0 11 -4,-1.2 2,-0.2 95,-0.1 -18,-0.1 -0.817 50.3-178.9 -93.7 125.0 54.8 37.4 -3.6 197 200 A G - 0 0 11 -2,-0.5 93,-0.1 -20,-0.2 -16,-0.1 -0.469 42.7 -95.5-114.0-173.4 54.5 40.6 -1.5 198 201 A I > - 0 0 54 1,-0.2 4,-2.8 -2,-0.2 92,-0.1 0.525 51.2-172.7 -79.7 -7.7 56.6 43.2 0.3 199 202 A G T 4 + 0 0 6 1,-0.2 2,-1.8 2,-0.2 -1,-0.2 -0.215 68.9 3.9 50.3-131.6 56.4 41.5 3.6 200 203 A A T 4 S- 0 0 58 1,-0.2 -124,-0.3 -123,-0.0 -1,-0.2 -0.561 133.8 -56.8 -86.0 76.5 57.9 43.6 6.4 201 204 A N T 4 S- 0 0 112 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.875 73.6-178.5 55.2 48.7 58.7 46.6 4.2 202 205 A L < - 0 0 16 -4,-2.8 -1,-0.2 1,-0.1 5,-0.1 -0.624 37.4-103.2 -76.3 130.1 60.9 44.9 1.5 203 206 A P > - 0 0 66 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.232 23.9-123.2 -54.1 139.9 62.1 47.5 -1.0 204 207 A P G > S+ 0 0 95 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.807 110.3 58.5 -55.2 -33.4 60.3 47.4 -4.3 205 208 A S G > S+ 0 0 107 1,-0.2 3,-0.7 2,-0.1 4,-0.3 0.899 101.5 54.5 -64.8 -40.0 63.5 46.9 -6.2 206 209 A R G <> S+ 0 0 32 -3,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.328 81.9 93.4 -77.6 7.1 64.3 43.7 -4.3 207 210 A I H <> S+ 0 0 36 -3,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.912 77.3 58.7 -67.1 -42.7 60.9 42.2 -5.2 208 211 A D H <> S+ 0 0 133 -3,-0.7 4,-2.1 -4,-0.3 -1,-0.2 0.871 103.6 51.7 -55.4 -40.8 62.3 40.3 -8.2 209 212 A N H > S+ 0 0 69 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.924 107.4 52.4 -64.0 -42.6 64.8 38.4 -6.2 210 213 A K H X S+ 0 0 2 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.916 109.2 50.3 -59.6 -42.5 62.2 37.3 -3.7 211 214 A V H X S+ 0 0 17 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.904 110.2 49.7 -62.3 -41.7 60.1 36.0 -6.7 212 215 A D H X S+ 0 0 41 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.900 108.9 53.0 -64.2 -40.7 63.1 34.1 -8.1 213 216 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.917 108.2 50.0 -61.1 -44.4 63.8 32.5 -4.7 214 217 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.931 111.6 47.9 -61.2 -45.8 60.2 31.3 -4.4 215 218 A R H X S+ 0 0 117 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.917 111.2 51.0 -61.3 -43.1 60.4 29.7 -7.9 216 219 A R H X S+ 0 0 90 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.925 107.7 53.3 -59.6 -45.4 63.7 28.1 -7.1 217 220 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.906 113.4 43.0 -56.6 -44.2 62.3 26.6 -3.9 218 221 A I H X S+ 0 0 37 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.930 115.2 47.6 -70.1 -45.5 59.4 25.1 -5.8 219 222 A A H < S+ 0 0 58 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.936 116.9 43.1 -61.8 -47.2 61.5 23.8 -8.7 220 223 A I H < S+ 0 0 94 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.926 123.4 34.7 -66.5 -46.1 64.1 22.3 -6.4 221 224 A N H < S- 0 0 15 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.770 83.5-154.7 -82.3 -28.2 61.8 20.7 -3.9 222 225 A Q < - 0 0 131 -4,-2.6 -3,-0.1 -5,-0.3 -4,-0.1 0.943 17.7-157.7 52.8 55.3 58.9 19.7 -6.1 223 226 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.375 15.0-122.3 -66.2 141.6 56.3 19.8 -3.4 224 227 A N > - 0 0 80 3,-0.2 3,-2.2 1,-0.1 7,-0.4 -0.780 13.8-154.5 -89.5 112.0 53.1 17.7 -4.0 225 228 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.739 93.4 59.6 -54.1 -29.2 50.0 20.0 -3.8 226 229 A R T 3 S+ 0 0 70 1,-0.2 2,-0.6 2,-0.0 -2,-0.0 0.542 98.7 64.5 -81.4 -5.4 47.8 17.1 -2.9 227 230 A D <> - 0 0 42 -3,-2.2 4,-2.1 1,-0.1 3,-0.3 -0.864 61.8-172.7-122.3 97.0 49.9 16.5 0.2 228 231 A G H > S+ 0 0 1 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.832 88.1 51.3 -56.2 -36.8 49.7 19.3 2.7 229 232 A I H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.867 107.6 53.5 -70.3 -35.2 52.4 17.8 5.0 230 233 A D H > S+ 0 0 24 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.943 111.0 46.2 -63.9 -46.1 54.7 17.4 2.0 231 234 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -7,-0.4 5,-0.4 0.914 112.1 50.5 -62.7 -46.1 54.4 21.1 1.1 232 235 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.942 113.0 44.9 -58.4 -49.4 54.8 22.2 4.7 233 236 A S H < S+ 0 0 5 -4,-2.4 -93,-2.2 2,-0.2 -94,-0.8 0.821 119.5 41.6 -66.7 -31.8 58.0 20.2 5.2 234 237 A K H < S+ 0 0 51 -4,-1.9 -95,-0.8 -96,-0.2 -2,-0.2 0.954 136.2 4.8 -83.4 -55.3 59.5 21.2 1.9 235 238 A V H < S+ 0 0 0 -4,-2.3 -52,-0.3 -5,-0.2 -53,-0.2 0.145 115.3 80.1-120.2 21.2 58.8 24.9 1.3 236 239 A G < - 0 0 0 -4,-1.4 2,-0.3 -5,-0.4 -102,-0.1 0.075 68.4-127.3 -99.9-145.8 57.2 25.8 4.6 237 240 A G > - 0 0 0 1,-0.1 4,-2.3 -58,-0.1 5,-0.2 -0.962 26.8 -98.7-161.1 168.1 58.7 26.6 8.0 238 241 A F H > S+ 0 0 3 -172,-0.3 4,-2.7 -2,-0.3 5,-0.1 0.901 122.7 49.1 -61.4 -44.1 58.5 25.6 11.7 239 242 A D H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 111.5 48.8 -62.7 -45.1 56.3 28.6 12.5 240 243 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.889 112.0 49.2 -62.0 -40.9 54.0 27.8 9.6 241 244 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.938 108.9 54.1 -63.1 -45.4 53.8 24.2 10.7 242 245 A G H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.906 106.7 50.1 -55.5 -45.0 53.0 25.3 14.2 243 246 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.907 109.1 51.9 -61.8 -40.7 50.1 27.5 13.1 244 247 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.918 107.2 54.8 -60.5 -42.1 48.7 24.5 11.1 245 248 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.829 104.0 52.9 -61.5 -34.1 49.0 22.5 14.3 246 249 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.920 109.3 50.5 -67.6 -40.5 46.9 25.0 16.3 247 250 A M H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.916 112.9 44.6 -62.8 -44.0 44.2 24.7 13.6 248 251 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.889 113.3 52.1 -68.7 -38.2 44.2 20.9 13.7 249 252 A G H X S+ 0 0 1 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.920 111.5 43.8 -64.3 -45.6 44.2 20.9 17.5 250 253 A A H <>S+ 0 0 0 -4,-2.5 5,-3.3 2,-0.2 4,-0.2 0.897 112.8 52.8 -67.4 -39.9 41.3 23.2 18.0 251 254 A A H ><5S+ 0 0 0 -4,-1.9 3,-1.3 -5,-0.3 -2,-0.2 0.924 110.1 47.5 -61.0 -44.5 39.3 21.4 15.3 252 255 A R H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.863 112.3 50.6 -62.8 -35.5 39.9 18.1 17.0 253 256 A a T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.444 115.9-122.2 -79.4 -4.0 38.8 19.9 20.3 254 257 A G T < 5 + 0 0 1 -3,-1.3 -206,-1.7 -4,-0.2 -205,-0.4 0.810 68.0 131.3 65.2 32.7 35.8 21.1 18.4 255 258 A L < - 0 0 6 -5,-3.3 -1,-0.2 -207,-0.2 2,-0.1 -0.823 59.1-102.6-118.6 156.4 36.6 24.7 19.1 256 259 A P - 0 0 2 0, 0.0 -89,-2.2 0, 0.0 2,-0.4 -0.441 27.7-160.9 -76.9 148.1 36.8 27.9 16.9 257 260 A V E -ef 167 282B 0 24,-2.2 26,-2.2 -91,-0.2 2,-0.5 -0.997 10.6-141.8-130.0 130.0 40.1 29.4 15.7 258 261 A L E -ef 168 283B 0 -91,-3.2 -89,-1.7 -2,-0.4 60,-0.1 -0.796 17.5-142.2 -92.3 126.5 40.6 32.9 14.4 259 262 A L - 0 0 1 24,-2.9 27,-0.1 -2,-0.5 -89,-0.0 -0.347 12.7-161.3 -77.7 168.5 43.0 33.3 11.5 260 263 A D - 0 0 2 1,-0.4 26,-0.6 25,-0.1 25,-0.4 0.344 40.5 -43.7-115.5-111.8 45.3 36.3 11.3 261 264 A G S >> S- 0 0 5 26,-0.1 4,-1.8 24,-0.1 3,-0.5 -0.086 83.7 -44.4-108.6-152.2 47.0 37.5 8.2 262 265 A F H 3> S+ 0 0 4 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.810 129.9 53.3 -48.7 -43.9 48.9 36.2 5.1 263 266 A L H 3> S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.924 110.0 49.0 -61.9 -41.5 51.1 33.8 7.1 264 267 A S H <> S+ 0 0 1 -3,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.853 104.7 59.5 -66.3 -34.2 48.0 32.2 8.6 265 268 A Y H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.904 105.2 48.7 -60.9 -42.3 46.3 31.9 5.2 266 269 A S H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.917 112.8 47.8 -65.5 -39.9 49.1 29.7 4.0 267 270 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.871 110.6 51.9 -67.3 -36.8 48.9 27.5 7.1 268 271 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.855 106.2 53.9 -69.0 -33.5 45.1 27.3 6.7 269 272 A L H X S+ 0 0 15 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.932 112.1 45.2 -64.5 -42.3 45.5 26.2 3.1 270 273 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 3,-0.3 0.936 112.0 51.3 -64.9 -48.0 47.8 23.4 4.4 271 274 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 7,-0.2 0.905 111.2 47.3 -56.9 -44.1 45.5 22.5 7.2 272 275 A C H < S+ 0 0 25 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.780 111.1 51.8 -70.3 -25.7 42.4 22.2 4.9 273 276 A Q H < S+ 0 0 84 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.892 113.8 44.0 -74.9 -39.6 44.4 20.1 2.5 274 277 A I H < S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.875 136.8 6.4 -70.9 -41.1 45.5 17.8 5.3 275 278 A A >< - 0 0 7 -4,-2.8 3,-2.1 -5,-0.2 4,-0.3 -0.791 57.2-167.5-150.4 100.9 42.0 17.6 6.8 276 279 A P G > S+ 0 0 97 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.768 86.7 74.3 -57.5 -26.3 39.0 19.2 5.1 277 280 A A G 3 S+ 0 0 45 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.604 83.6 69.3 -64.5 -10.3 37.0 18.7 8.4 278 281 A V G X> S+ 0 0 0 -3,-2.1 3,-1.9 -7,-0.2 4,-0.5 0.827 78.7 79.8 -76.9 -30.2 39.1 21.5 9.8 279 282 A R G X4 S+ 0 0 83 -3,-1.4 3,-1.5 -4,-0.3 -1,-0.2 0.807 82.0 59.8 -45.4 -49.2 37.3 24.1 7.6 280 283 A P G 34 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.706 104.7 52.9 -57.3 -21.0 34.1 24.6 9.6 281 284 A Y G <4 S+ 0 0 2 -3,-1.9 -24,-2.2 -4,-0.2 2,-0.2 0.586 86.9 100.1 -92.4 -12.2 36.2 25.7 12.7 282 285 A L E << -f 257 0B 1 -3,-1.5 -24,-0.2 -4,-0.5 -35,-0.0 -0.547 49.5-171.0 -79.7 138.5 38.1 28.4 10.9 283 286 A I E -f 258 0B 0 -26,-2.2 -24,-2.9 -2,-0.2 19,-0.0 -0.985 16.9-136.1-131.0 120.8 37.1 32.1 11.3 284 287 A P - 0 0 11 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.358 19.6-177.7 -72.1 155.1 38.6 34.9 9.2 285 288 A S - 0 0 1 1,-0.5 21,-2.7 -25,-0.4 20,-1.3 0.644 54.3 -7.6-114.8 -78.0 39.6 38.1 10.9 286 289 A H B -h 306 0D 4 -26,-0.6 2,-0.8 19,-0.2 -1,-0.5 -0.700 64.6-106.0-121.2 173.8 41.0 40.8 8.6 287 290 A F - 0 0 64 19,-2.2 22,-0.5 -2,-0.2 23,-0.3 -0.874 41.0-132.3-103.3 104.2 42.1 41.2 5.0 288 291 A S - 0 0 7 -2,-0.8 23,-0.2 -28,-0.2 5,-0.1 -0.218 4.4-135.7 -57.6 142.9 45.9 41.3 4.9 289 292 A A S S+ 0 0 53 21,-2.3 2,-0.2 4,-0.1 -1,-0.1 0.391 70.0 118.3 -79.5 2.6 47.6 44.0 2.8 290 293 A E S > S- 0 0 15 20,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.488 75.6-121.4 -70.2 141.4 50.0 41.4 1.4 291 294 A K T > S+ 0 0 133 1,-0.3 3,-0.5 -2,-0.2 4,-0.4 0.868 109.1 50.9 -51.8 -44.8 49.7 41.1 -2.4 292 295 A G T 3> S+ 0 0 0 -97,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.428 82.8 97.1 -78.1 3.3 48.8 37.4 -2.3 293 296 A A H <> S+ 0 0 1 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.932 80.5 49.9 -57.2 -51.7 46.0 37.8 0.2 294 297 A R H <> S+ 0 0 57 -3,-0.5 4,-2.1 -4,-0.4 -1,-0.2 0.909 113.3 46.2 -55.4 -46.9 43.1 38.0 -2.2 295 298 A I H > S+ 0 0 42 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.928 114.0 47.9 -62.4 -47.8 44.2 34.8 -4.1 296 299 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.914 113.0 47.9 -60.4 -45.2 44.8 32.9 -0.8 297 300 A L H X>S+ 0 0 3 -4,-2.8 5,-2.3 1,-0.2 4,-0.7 0.864 106.7 57.2 -65.0 -38.2 41.4 33.9 0.6 298 301 A A H ><5S+ 0 0 69 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.2 0.925 107.3 48.0 -60.0 -44.5 39.6 33.0 -2.6 299 302 A H H 3<5S+ 0 0 106 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.761 112.4 48.0 -70.3 -22.0 40.8 29.5 -2.4 300 303 A L H 3<5S- 0 0 8 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.512 108.3-132.2 -90.2 -7.6 39.9 29.2 1.3 301 304 A S T <<5 + 0 0 94 -3,-0.8 2,-0.4 -4,-0.7 -3,-0.2 0.920 57.7 142.5 56.0 47.3 36.5 30.7 0.2 302 305 A M < - 0 0 17 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.938 42.9-159.1-122.7 143.6 36.7 33.2 3.1 303 306 A E - 0 0 55 -2,-0.4 -16,-0.1 -3,-0.1 -5,-0.0 -0.927 24.7-134.3-121.3 105.5 35.7 36.8 3.3 304 307 A P - 0 0 6 0, 0.0 -18,-0.2 0, 0.0 -19,-0.1 -0.144 0.9-144.2 -55.6 152.0 37.4 38.7 6.2 305 308 A Y S S+ 0 0 52 -20,-1.3 2,-0.4 1,-0.1 -19,-0.2 0.830 81.2 60.7 -84.6 -37.6 35.3 40.9 8.5 306 309 A L B -h 286 0D 32 -21,-2.7 -19,-2.2 11,-0.0 2,-0.7 -0.821 55.4-170.9-102.2 130.0 38.0 43.6 9.0 307 310 A H + 0 0 137 -2,-0.4 -19,-0.1 -21,-0.2 -21,-0.1 -0.852 34.1 138.8-115.8 89.7 39.6 45.7 6.3 308 311 A M - 0 0 104 -2,-0.7 -1,-0.1 -21,-0.2 3,-0.1 0.329 64.6-123.0-115.0 4.7 42.4 47.5 8.1 309 312 A A + 0 0 76 -22,-0.5 2,-0.1 1,-0.2 -21,-0.1 0.822 56.4 167.5 55.0 30.2 45.2 47.3 5.5 310 313 A M + 0 0 40 -23,-0.3 -21,-2.3 1,-0.1 -20,-0.3 -0.461 25.2 162.8 -80.3 149.6 47.1 45.5 8.3 311 314 A R + 0 0 138 -23,-0.2 -1,-0.1 -2,-0.1 -23,-0.0 -0.129 43.3 103.2-158.1 44.6 50.4 43.6 7.7 312 315 A L - 0 0 96 1,-0.2 2,-0.2 -112,-0.1 -216,-0.1 0.797 55.3-167.3 -98.6 -39.7 52.1 43.2 11.1 313 316 A G > + 0 0 8 1,-0.1 3,-1.9 -141,-0.1 -1,-0.2 -0.607 46.2 120.2 84.7-149.2 51.3 39.5 11.8 314 317 A E T 3 S- 0 0 7 -143,-0.8 -1,-0.1 1,-0.3 -144,-0.1 0.308 107.8 -73.8 69.8 -9.4 51.9 38.2 15.3 315 318 A G T 3> S+ 0 0 0 -145,-0.1 4,-2.0 -253,-0.1 -1,-0.3 0.596 97.3 136.2 95.4 14.0 48.3 37.3 15.5 316 319 A S H <> + 0 0 1 -3,-1.9 4,-1.6 1,-0.2 -2,-0.1 0.849 70.0 50.3 -62.8 -36.5 47.4 41.0 15.9 317 320 A G H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.874 107.9 52.8 -70.5 -38.2 44.5 40.7 13.5 318 321 A A H >> S+ 0 0 0 -149,-0.3 4,-0.8 1,-0.2 3,-0.5 0.926 109.6 48.4 -62.6 -45.0 43.0 37.7 15.3 319 322 A A H >< S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.889 107.7 56.3 -62.7 -39.2 43.0 39.5 18.6 320 323 A L H 3< S+ 0 0 55 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.771 107.9 48.5 -64.7 -26.9 41.4 42.5 17.0 321 324 A A H XX S+ 0 0 1 -4,-1.2 4,-1.3 -3,-0.5 3,-1.1 0.584 84.9 88.6 -91.2 -11.4 38.5 40.3 15.8 322 325 A M H S+ 0 0 64 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.835 102.0 56.7 -60.8 -28.5 35.4 41.4 20.1 324 327 A I H <> S+ 0 0 41 -3,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.894 105.2 49.1 -69.0 -40.1 33.4 40.5 17.0 325 328 A V H X S+ 0 0 2 -4,-1.3 4,-1.5 -3,-0.3 -1,-0.2 0.923 111.5 50.1 -64.7 -42.0 33.0 36.9 18.0 326 329 A E H X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.828 106.0 57.0 -64.9 -31.5 31.9 38.1 21.5 327 330 A A H X S+ 0 0 41 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.880 102.7 53.5 -67.2 -38.8 29.3 40.4 19.8 328 331 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.891 111.2 47.0 -63.0 -37.6 27.7 37.5 18.0 329 332 A C H X S+ 0 0 11 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.894 110.8 51.3 -69.6 -41.2 27.3 35.7 21.3 330 333 A A H X S+ 0 0 42 -4,-2.2 4,-3.2 2,-0.2 5,-0.5 0.924 110.1 49.6 -60.5 -47.2 25.9 38.9 23.0 331 334 A M H X S+ 0 0 11 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.952 112.5 48.4 -55.6 -52.0 23.4 39.3 20.2 332 335 A F H < S+ 0 0 19 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.897 123.2 29.7 -57.3 -46.8 22.3 35.7 20.6 333 336 A H H < S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.771 123.9 39.6 -89.9 -27.5 21.9 35.7 24.3 334 337 A N H < S+ 0 0 132 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.660 84.9 99.9-101.8 -17.8 20.9 39.2 25.3 335 338 A M < - 0 0 59 -4,-1.5 2,-0.1 -5,-0.5 -4,-0.0 -0.351 68.9-120.9 -70.7 152.2 18.5 40.4 22.6 336 339 A G - 0 0 37 -309,-0.1 -309,-2.8 1,-0.1 2,-0.4 -0.297 28.2-106.5 -83.2 174.0 14.8 40.4 23.3 337 340 A E B > -A 26 0A 92 -311,-0.3 4,-0.7 1,-0.1 3,-0.4 -0.835 7.3-133.9-111.6 144.9 12.2 38.5 21.2 338 341 A L T >4>S+ 0 0 21 -313,-2.4 5,-2.1 -2,-0.4 3,-1.4 0.885 105.4 58.0 -55.2 -45.9 9.6 39.8 18.8 339 342 A A G >45S+ 0 0 90 -314,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.880 100.5 56.8 -54.5 -42.6 6.9 37.6 20.3 340 343 A A G 345S+ 0 0 87 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.699 110.1 45.5 -64.7 -20.1 7.3 39.2 23.7 341 344 A S G <<5S- 0 0 64 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.386 109.6-121.9-102.4 0.9 6.7 42.6 22.1 342 345 A N T < 5 + 0 0 90 -3,-1.4 2,-0.4 -4,-0.4 -3,-0.2 0.792 63.5 149.0 62.8 26.6 3.7 41.4 20.1 343 346 A I < - 0 0 73 -5,-2.1 2,-0.5 -6,-0.1 -1,-0.2 -0.804 31.0-163.7 -96.1 132.5 5.6 42.6 17.0 344 347 A V + 0 0 133 -2,-0.4 -5,-0.0 -3,-0.1 0, 0.0 -0.970 10.7 175.0-121.0 123.4 5.0 40.7 13.8 345 348 A L 0 0 73 -2,-0.5 -317,-0.0 -317,-0.1 -7,-0.0 -0.988 360.0 360.0-129.5 135.5 7.4 41.1 10.8 346 349 A P 0 0 164 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.239 360.0 360.0 -50.5 360.0 7.3 39.2 7.5