==== 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 1JHQ . 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) . 13003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 75.1 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 . 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 . 50 14.5 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 2 1 0 1 1 1 0 2 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 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 50 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.1 48.1 11.7 14.0 2 5 A H H > + 0 0 78 2,-0.2 4,-2.4 3,-0.2 5,-0.1 0.819 360.0 52.2 -74.7 -28.4 46.0 9.9 11.5 3 6 A A H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.978 108.6 48.7 -61.2 -59.2 44.1 9.1 14.7 4 7 A L H 4 S+ 0 0 23 1,-0.2 3,-0.2 2,-0.2 -2,-0.2 0.910 114.0 45.7 -45.3 -55.2 44.0 12.7 15.5 5 8 A L H >< S+ 0 0 39 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.868 109.0 55.4 -62.1 -38.5 42.7 13.6 12.1 6 9 A R H 3< S+ 0 0 176 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.864 104.2 55.7 -62.2 -37.3 40.2 10.8 12.0 7 10 A D T 3< + 0 0 65 -4,-2.3 -1,-0.3 -3,-0.2 -2,-0.2 0.275 69.3 125.9 -83.6 8.6 38.6 12.1 15.2 8 11 A I < - 0 0 15 -3,-1.3 244,-0.2 -4,-0.1 245,-0.1 -0.593 61.8-125.9 -69.7 122.4 37.8 15.7 14.2 9 12 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 245,-0.1 -0.295 12.5-124.0 -71.1 150.2 34.1 16.1 14.9 10 13 A A - 0 0 75 1,-0.1 2,-0.0 36,-0.1 267,-0.0 -0.477 42.3 -86.0 -82.4 163.6 31.7 17.2 12.3 11 14 A P - 0 0 60 0, 0.0 2,-1.2 0, 0.0 35,-0.2 -0.350 40.4-110.0 -70.8 151.5 29.5 20.2 13.1 12 15 A D > - 0 0 64 33,-2.7 4,-2.1 1,-0.2 5,-0.2 -0.692 31.1-177.2 -86.5 94.7 26.3 19.8 15.0 13 16 A A H > S+ 0 0 72 -2,-1.2 4,-2.2 1,-0.2 5,-0.2 0.810 81.9 59.1 -61.2 -31.6 23.5 20.5 12.6 14 17 A E H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.953 107.1 44.1 -63.0 -51.0 21.0 20.0 15.3 15 18 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.882 112.9 54.3 -59.9 -39.8 22.4 22.8 17.5 16 19 A M H X S+ 0 0 57 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.886 106.2 50.5 -63.6 -40.6 22.7 25.0 14.3 17 20 A A H X S+ 0 0 65 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.938 111.7 47.9 -63.3 -44.0 19.1 24.6 13.4 18 21 A R H X S+ 0 0 130 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.906 112.2 50.6 -62.9 -38.4 18.0 25.6 16.9 19 22 A T H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.945 107.6 52.0 -64.4 -47.1 20.3 28.5 16.8 20 23 A Q H X S+ 0 0 70 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.927 110.0 49.1 -56.0 -45.9 19.0 29.7 13.5 21 24 A Q H X S+ 0 0 67 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.911 111.0 49.9 -61.6 -41.9 15.4 29.6 14.8 22 25 A H H < S+ 0 0 62 -4,-2.0 3,-0.4 -5,-0.2 4,-0.3 0.935 111.1 49.0 -64.8 -41.7 16.3 31.5 17.9 23 26 A I H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.927 106.0 56.7 -61.6 -45.5 18.1 34.2 15.9 24 27 A D H 3< S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 104.1 55.0 -58.6 -29.3 15.2 34.6 13.6 25 28 A G T 3< S+ 0 0 30 -4,-1.3 313,-2.2 -3,-0.4 314,-0.4 0.452 84.3 116.1 -84.0 -1.0 12.9 35.4 16.5 26 29 A L B < S-A 337 0A 0 -3,-1.8 2,-2.6 -4,-0.3 311,-0.3 -0.240 85.8 -86.7 -70.7 161.8 15.0 38.2 17.9 27 30 A L S S+ 0 0 75 309,-2.4 -1,-0.1 311,-0.1 309,-0.1 -0.317 100.2 68.6 -65.7 63.6 13.8 41.9 18.1 28 31 A K S S- 0 0 16 -2,-2.6 310,-0.1 -4,-0.2 317,-0.1 -0.967 97.3 -70.5-169.4 163.6 14.9 42.9 14.5 29 32 A P S > S- 0 0 82 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.426 70.1 -91.0 -65.4 134.7 14.0 42.3 10.9 30 33 A P T 3 S+ 0 0 66 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.192 108.7 6.6 -52.7 134.8 15.0 38.7 10.0 31 34 A G T > S+ 0 0 42 -3,-0.1 3,-1.6 -8,-0.1 6,-0.1 0.417 90.9 125.7 73.1 1.4 18.6 38.5 8.6 32 35 A S T < + 0 0 61 -3,-2.4 -1,-0.1 1,-0.3 0, 0.0 0.690 65.7 57.5 -64.2 -23.8 19.2 42.1 9.4 33 36 A L T >> S- 0 0 64 -4,-0.2 3,-2.0 1,-0.2 4,-0.5 0.293 87.4-175.3 -90.9 11.2 22.4 41.5 11.4 34 37 A G H X> + 0 0 35 -3,-1.6 4,-1.6 1,-0.3 3,-1.3 0.032 63.1 14.1 39.8-123.4 23.9 39.7 8.5 35 38 A R H 3> S+ 0 0 108 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.677 121.1 64.9 -56.5 -21.4 27.3 38.1 9.0 36 39 A L H <> S+ 0 0 47 -3,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.877 105.1 46.7 -70.0 -33.2 27.0 38.4 12.8 37 40 A E H < S+ 0 0 39 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.946 109.1 47.0 -61.1 -48.1 28.7 28.7 13.0 43 46 A L H >< S+ 0 0 1 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.889 104.8 60.5 -61.5 -40.7 29.8 28.8 16.6 44 47 A A H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 7,-0.2 0.819 100.5 56.7 -58.9 -25.9 26.6 26.9 17.7 45 48 A G T << S+ 0 0 0 -4,-1.1 -33,-2.7 -3,-0.7 -1,-0.3 0.575 82.7 101.9 -81.9 -8.9 27.7 24.0 15.5 46 49 A M X - 0 0 3 -3,-1.8 3,-2.4 -4,-0.3 5,-0.4 -0.708 66.1-147.9 -84.0 112.4 31.1 23.6 17.2 47 50 A P G > S+ 0 0 56 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.771 93.9 60.3 -51.3 -36.5 31.0 20.7 19.6 48 51 A G G 3 S+ 0 0 29 206,-2.0 207,-0.1 1,-0.3 206,-0.1 0.570 96.8 68.5 -70.1 -4.4 33.4 22.1 22.2 49 52 A L G X S- 0 0 1 -3,-2.4 3,-0.9 205,-0.4 -1,-0.3 0.341 104.2-121.0 -98.1 2.5 30.9 25.0 22.6 50 53 A N T < - 0 0 129 -3,-1.4 -2,-0.1 1,-0.2 -6,-0.1 0.915 64.3 -59.3 61.2 42.1 28.1 23.2 24.2 51 54 A G T 3 S+ 0 0 21 -5,-0.4 -1,-0.2 -7,-0.2 -7,-0.1 0.596 117.2 75.0 64.9 17.7 25.3 23.9 21.6 52 55 A T S < S- 0 0 32 -3,-0.9 2,-0.5 -6,-0.2 -1,-0.1 -0.997 89.9 -95.2-153.2 153.3 25.4 27.6 21.8 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.568 64.1 148.4 -70.9 120.7 27.5 30.6 20.7 54 57 A Q - 0 0 65 -2,-0.5 2,-0.4 111,-0.1 -2,-0.1 -0.996 36.9-153.6-153.5 151.2 29.6 31.3 23.7 55 58 A V + 0 0 34 -2,-0.3 3,-0.1 271,-0.1 109,-0.1 -0.985 19.3 164.5-131.5 120.9 33.1 32.6 24.5 56 59 A G - 0 0 31 1,-0.5 2,-0.2 -2,-0.4 108,-0.2 0.477 63.3 -8.1 -98.3-115.4 34.9 31.6 27.7 57 60 A E E -b 164 0B 128 106,-2.0 108,-3.1 48,-0.0 109,-1.3 -0.537 67.8-145.1 -85.7 154.1 38.6 32.3 27.9 58 61 A K E -b 166 0B 26 46,-0.5 48,-2.7 106,-0.2 2,-0.4 -0.937 14.9-176.0-121.2 140.0 40.6 33.4 24.9 59 62 A A E -bc 167 106B 0 107,-2.2 109,-1.7 -2,-0.4 2,-0.5 -0.995 16.0-155.8-139.0 141.1 44.2 32.7 23.8 60 63 A V E -bc 168 107B 0 46,-3.0 48,-3.8 -2,-0.4 2,-0.6 -0.975 15.4-155.6-113.0 122.7 46.5 33.8 21.1 61 64 A L E -bc 169 108B 0 107,-2.4 109,-2.4 -2,-0.5 2,-0.6 -0.910 6.4-162.3-103.0 117.2 49.3 31.3 20.2 62 65 A V E -bc 170 109B 0 46,-3.1 48,-3.3 -2,-0.6 2,-0.6 -0.903 2.8-156.8-106.4 115.4 52.3 32.8 18.6 63 66 A M E -bc 171 110B 0 107,-2.4 109,-1.5 -2,-0.6 2,-0.4 -0.807 12.6-166.7 -95.1 116.8 54.7 30.5 16.8 64 67 A C E +bc 172 111B 0 46,-3.0 48,-2.6 -2,-0.6 49,-0.9 -0.859 19.5 139.6-110.9 138.4 58.2 31.8 16.5 65 68 A A E - c 0 113B 0 107,-2.2 49,-0.3 -2,-0.4 2,-0.2 -0.974 38.9-120.8-167.7 156.9 61.0 30.4 14.3 66 69 A D - 0 0 4 47,-2.6 65,-2.0 -2,-0.3 2,-0.4 -0.646 22.7-141.9-102.8 161.3 63.8 31.4 12.1 67 70 A H B > -g 131 0C 2 107,-0.5 3,-1.5 63,-0.2 4,-0.2 -0.972 13.5-146.2-128.1 136.6 64.3 30.6 8.4 68 71 A G G > S+ 0 0 12 63,-0.8 3,-2.2 64,-0.4 65,-0.3 0.858 96.8 73.8 -66.3 -32.2 67.4 29.7 6.4 69 72 A V G > >S+ 0 0 2 63,-0.5 3,-1.9 1,-0.3 5,-0.6 0.671 74.1 83.5 -58.3 -11.4 66.0 31.4 3.4 70 73 A W G X 5S+ 0 0 67 -3,-1.5 3,-2.0 1,-0.3 5,-0.4 0.897 78.9 66.4 -57.0 -36.3 66.8 34.7 5.2 71 74 A D G < 5S+ 0 0 115 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.657 85.3 73.3 -59.3 -14.8 70.3 34.3 3.8 72 75 A E G < 5S- 0 0 50 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.397 113.5-111.6 -81.2 1.8 68.8 34.8 0.3 73 76 A G T < 5S+ 0 0 47 -3,-2.0 137,-0.1 -4,-0.1 -2,-0.1 0.805 78.6 130.5 73.4 28.7 68.3 38.5 1.0 74 77 A V < + 0 0 4 -5,-0.6 2,-0.3 -4,-0.4 101,-0.1 0.475 62.7 52.3 -91.9 -3.4 64.4 38.2 1.0 75 78 A A - 0 0 20 -5,-0.4 -1,-0.1 99,-0.1 4,-0.1 -0.993 56.1-161.4-138.6 134.5 64.0 40.2 4.3 76 79 A V + 0 0 82 -2,-0.3 -1,-0.1 124,-0.3 125,-0.1 0.589 68.5 94.6 -89.1 -11.3 65.2 43.6 5.6 77 80 A S S S- 0 0 29 1,-0.1 -2,-0.1 123,-0.1 123,-0.0 -0.662 88.9-105.8 -79.7 135.8 64.7 43.0 9.2 78 81 A P > - 0 0 78 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.286 26.4-119.9 -60.1 142.0 67.8 41.7 11.0 79 82 A K T > S+ 0 0 40 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.878 111.0 63.6 -49.3 -45.0 67.7 38.0 11.8 80 83 A I T 3> S+ 0 0 110 1,-0.3 4,-2.5 2,-0.2 3,-0.4 0.680 78.8 84.5 -55.7 -21.0 68.0 38.6 15.4 81 84 A V H <> S+ 0 0 43 -3,-2.3 4,-3.1 1,-0.2 5,-0.4 0.848 84.0 60.8 -54.2 -31.9 64.7 40.5 15.5 82 85 A T H <> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.3 -1,-0.2 0.955 109.0 39.7 -58.8 -51.7 62.9 37.2 15.9 83 86 A A H > S+ 0 0 16 -3,-0.4 4,-2.0 -4,-0.4 -2,-0.2 0.912 119.1 48.3 -64.1 -44.5 64.7 36.4 19.2 84 87 A I H X S+ 0 0 85 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.960 114.0 43.5 -59.8 -56.1 64.4 40.0 20.3 85 88 A Q H X S+ 0 0 45 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.851 109.5 58.3 -61.3 -36.7 60.7 40.4 19.5 86 89 A A H X S+ 0 0 0 -4,-2.1 4,-0.8 -5,-0.4 3,-0.3 0.942 106.3 49.1 -61.3 -41.1 59.9 37.0 21.0 87 90 A A H >X S+ 0 0 16 -4,-2.0 3,-1.5 1,-0.2 4,-0.5 0.941 107.0 55.7 -61.1 -44.6 61.4 38.2 24.3 88 91 A N H >X>S+ 0 0 36 -4,-2.2 5,-1.4 1,-0.3 3,-1.3 0.815 95.0 67.2 -58.2 -30.2 59.3 41.4 24.0 89 92 A M H ><5S+ 0 0 7 -4,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.869 96.7 54.7 -59.7 -32.5 56.3 39.2 23.8 90 93 A T H <<5S+ 0 0 63 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.657 106.7 52.6 -72.0 -17.0 57.0 38.2 27.4 91 94 A R H <<5S- 0 0 150 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.446 107.2-123.1 -99.3 -2.7 56.9 41.8 28.3 92 95 A G T <<5S+ 0 0 40 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.662 78.3 116.6 70.4 22.2 53.6 42.7 26.8 93 96 A T < + 0 0 93 -5,-1.4 -4,-0.1 4,-0.1 2,-0.1 0.538 47.3 94.9-100.6 -3.8 55.0 45.4 24.7 94 97 A T S > S- 0 0 5 -6,-0.4 4,-2.5 -9,-0.1 5,-0.2 -0.342 85.8-105.0 -84.5 170.3 54.3 44.0 21.2 95 98 A G H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 120.4 45.8 -58.4 -48.1 51.3 44.7 18.9 96 99 A V H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.902 111.6 54.8 -62.1 -42.0 49.6 41.4 19.6 97 100 A C H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 110.9 42.8 -54.3 -49.7 50.2 41.8 23.2 98 101 A V H X S+ 0 0 79 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.898 118.0 45.0 -66.2 -42.2 48.5 45.2 23.4 99 102 A L H X S+ 0 0 53 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.885 112.1 51.9 -72.2 -37.2 45.6 44.1 21.2 100 103 A A H X>S+ 0 0 1 -4,-3.4 5,-2.7 -5,-0.2 4,-0.8 0.936 108.5 51.7 -64.6 -42.9 45.2 40.8 23.0 101 104 A A H ><5S+ 0 0 71 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.2 0.894 107.0 53.5 -59.0 -38.7 45.0 42.7 26.3 102 105 A Q H 3<5S+ 0 0 166 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.861 112.8 44.1 -61.9 -36.4 42.4 45.0 24.9 103 106 A A H 3<5S- 0 0 10 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.431 114.7-116.1 -87.8 -5.2 40.4 41.8 23.9 104 107 A G T <<5 + 0 0 51 -4,-0.8 -46,-0.5 -3,-0.7 2,-0.3 0.797 69.7 138.9 72.3 29.6 41.0 40.1 27.3 105 108 A A < - 0 0 13 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.3 -0.754 50.8-126.4-104.3 152.2 42.9 37.3 25.6 106 109 A K E -c 59 0B 51 -48,-2.7 -46,-3.0 -2,-0.3 2,-0.5 -0.825 18.6-135.3-100.4 138.2 46.1 35.7 26.9 107 110 A V E -c 60 0B 40 -2,-0.4 2,-0.6 -48,-0.2 -46,-0.2 -0.803 13.1-163.5 -94.7 126.7 49.2 35.5 24.6 108 111 A H E -c 61 0B 49 -48,-3.8 -46,-3.1 -2,-0.5 2,-0.6 -0.925 7.3-157.5-110.5 110.9 51.1 32.2 24.5 109 112 A V E -c 62 0B 12 -2,-0.6 14,-2.7 12,-0.3 2,-0.5 -0.782 12.1-173.3 -91.8 120.9 54.6 32.5 23.0 110 113 A I E -cd 63 123B 1 -48,-3.3 -46,-3.0 -2,-0.6 2,-0.8 -0.955 17.3-148.6-121.5 124.9 55.9 29.3 21.6 111 114 A D E +cd 64 124B 3 12,-3.3 14,-2.6 -2,-0.5 -46,-0.2 -0.806 25.1 164.5 -89.8 110.7 59.4 28.8 20.3 112 115 A V E S- 0 0 0 -48,-2.6 15,-2.0 -2,-0.8 16,-0.4 0.362 80.3 -20.6-104.9 1.2 59.3 26.2 17.5 113 116 A G E +c 65 0B 0 -49,-0.9 -47,-2.6 13,-0.2 17,-0.7 0.411 69.8 168.5 158.4 48.7 62.8 27.0 16.1 114 117 A I - 0 0 0 -49,-0.3 2,-1.6 -50,-0.2 16,-0.1 -0.574 37.8-128.9 -76.9 139.4 64.3 30.4 16.9 115 118 A D S S+ 0 0 70 14,-0.3 2,-0.3 -2,-0.2 -32,-0.1 -0.596 80.8 65.0 -91.5 74.7 68.0 30.5 15.9 116 119 A A S S- 0 0 19 -2,-1.6 3,-0.1 -33,-0.1 -2,-0.1 -0.953 97.5 -54.9-170.8-178.8 69.2 31.8 19.2 117 120 A E S S- 0 0 149 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.425 71.6 -83.6 -73.8 154.3 69.5 30.8 22.8 118 121 A P - 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0 0 11 -4,-3.2 -1,-0.2 1,-0.1 5,-0.1 -0.568 37.3-106.8 -71.1 133.6 60.9 44.9 1.5 203 206 A P >> - 0 0 67 0, 0.0 3,-0.7 0, 0.0 4,-0.5 -0.321 24.2-119.4 -61.5 141.1 62.0 47.6 -1.0 204 207 A P G >4 S+ 0 0 85 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.805 112.8 58.6 -52.6 -30.4 60.2 47.4 -4.3 205 208 A S G >4 S+ 0 0 104 1,-0.2 3,-0.8 2,-0.1 4,-0.3 0.945 99.8 56.6 -64.2 -44.4 63.5 46.9 -6.0 206 209 A R G <> S+ 0 0 26 -3,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.478 83.2 90.1 -65.6 -7.9 64.3 43.7 -4.0 207 210 A I H S+ 0 0 130 -3,-0.8 4,-2.5 -4,-0.4 -1,-0.2 0.894 104.7 51.3 -46.8 -46.6 62.4 40.4 -8.2 209 212 A N H > S+ 0 0 65 -4,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.936 107.6 52.0 -60.2 -43.0 64.9 38.5 -6.1 210 213 A K H X S+ 0 0 2 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.911 109.4 50.8 -60.4 -40.8 62.2 37.3 -3.7 211 214 A V H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.938 109.4 50.0 -61.9 -46.2 60.2 36.0 -6.7 212 215 A D H X S+ 0 0 36 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.898 109.5 51.9 -57.2 -43.6 63.2 34.1 -8.1 213 216 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.917 108.3 50.4 -60.7 -46.4 63.8 32.5 -4.7 214 217 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.941 111.9 48.0 -58.8 -45.7 60.2 31.3 -4.4 215 218 A R H X S+ 0 0 117 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.911 111.2 50.4 -61.5 -42.6 60.4 29.8 -7.9 216 219 A R H X S+ 0 0 89 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.925 106.9 55.0 -61.1 -43.8 63.7 28.1 -7.1 217 220 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.893 112.8 42.5 -56.5 -42.5 62.3 26.7 -3.9 218 221 A I H X S+ 0 0 34 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.949 114.0 48.7 -70.7 -50.2 59.5 25.1 -5.8 219 222 A A H < S+ 0 0 63 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.926 116.0 45.7 -55.1 -46.1 61.5 23.8 -8.7 220 223 A I H < S+ 0 0 96 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.899 121.0 32.9 -67.7 -44.3 64.0 22.3 -6.4 221 224 A N H < S- 0 0 18 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.731 82.8-151.4 -88.8 -24.8 61.8 20.6 -3.9 222 225 A Q < - 0 0 132 -4,-2.8 2,-0.1 -5,-0.2 -3,-0.1 0.965 19.1-159.6 52.3 58.5 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 -0.444 14.8-123.4 -70.4 141.5 56.3 19.7 -3.3 224 227 A N > - 0 0 79 3,-0.2 3,-2.3 1,-0.1 7,-0.4 -0.780 12.7-155.3 -93.4 114.7 53.1 17.8 -4.0 225 228 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.696 92.5 61.1 -59.0 -22.1 50.1 20.0 -3.7 226 229 A R T 3 S+ 0 0 73 1,-0.2 2,-0.5 2,-0.0 -2,-0.0 0.532 99.4 61.9 -85.8 -2.7 47.9 17.1 -2.9 227 230 A D X> - 0 0 42 -3,-2.3 4,-2.0 1,-0.1 3,-0.5 -0.861 63.2-171.9-125.9 95.8 49.9 16.4 0.3 228 231 A G H 3> S+ 0 0 1 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.785 88.6 53.2 -56.0 -35.0 49.8 19.3 2.8 229 232 A I H 3> S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.857 107.2 53.0 -71.1 -31.9 52.5 17.8 5.0 230 233 A D H <> S+ 0 0 23 -3,-0.5 4,-1.9 -6,-0.2 5,-0.3 0.949 111.6 45.1 -66.1 -45.0 54.7 17.4 2.0 231 234 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 -7,-0.4 5,-0.4 0.930 112.5 49.4 -64.3 -51.1 54.4 21.0 1.1 232 235 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.902 113.7 47.2 -53.3 -47.7 54.8 22.3 4.7 233 236 A S H < S+ 0 0 6 -4,-2.0 -93,-1.9 -5,-0.2 -94,-0.7 0.846 119.3 38.2 -66.6 -35.1 58.0 20.2 5.1 234 237 A K H < S+ 0 0 46 -4,-1.9 -95,-0.9 -96,-0.2 -2,-0.2 0.935 137.0 8.2 -84.0 -55.9 59.6 21.2 1.9 235 238 A V H < S+ 0 0 0 -4,-2.8 -52,-0.3 -5,-0.3 -3,-0.2 0.229 113.2 78.1-117.1 15.5 58.8 24.8 1.4 236 239 A G < - 0 0 0 -4,-1.5 2,-0.3 -5,-0.4 -102,-0.2 0.156 68.3-127.5 -96.0-140.4 57.2 25.9 4.7 237 240 A G > - 0 0 0 -58,-0.1 4,-2.2 -170,-0.1 5,-0.1 -0.941 29.5 -96.6-163.0 168.0 58.8 26.7 8.1 238 241 A F H > S+ 0 0 3 -172,-0.4 4,-2.9 -2,-0.3 5,-0.1 0.874 123.8 51.9 -62.5 -40.0 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 0.937 109.8 48.5 -62.2 -45.7 56.3 28.6 12.5 240 243 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 112.8 48.8 -60.3 -43.0 54.0 27.8 9.5 241 244 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.955 108.7 53.2 -60.5 -50.0 53.8 24.2 10.7 242 245 A G H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.887 108.6 49.7 -53.2 -45.0 53.1 25.3 14.3 243 246 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.933 109.7 50.8 -62.4 -44.4 50.1 27.5 13.1 244 247 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.934 107.9 54.5 -57.9 -43.2 48.7 24.6 11.1 245 248 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.848 103.7 54.3 -60.2 -34.2 49.0 22.4 14.2 246 249 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.2 5,-0.2 0.935 109.1 49.6 -65.7 -40.0 46.9 25.0 16.2 247 250 A M H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.901 111.4 47.2 -63.7 -42.0 44.2 24.7 13.6 248 251 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.889 114.0 48.7 -68.3 -38.6 44.3 20.9 13.7 249 252 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.887 110.9 48.2 -67.4 -43.8 44.2 20.9 17.6 250 253 A A H <>S+ 0 0 0 -4,-2.7 5,-3.8 2,-0.2 -2,-0.2 0.924 113.5 48.2 -63.6 -43.3 41.3 23.3 17.9 251 254 A A H ><5S+ 0 0 0 -4,-1.9 3,-1.5 -5,-0.2 -2,-0.2 0.908 110.7 49.9 -63.6 -42.9 39.3 21.4 15.3 252 255 A R H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.899 111.9 49.6 -59.8 -41.5 39.9 18.1 17.1 253 256 A a T 3<5S- 0 0 25 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.466 117.9-120.2 -72.6 -6.4 38.9 19.8 20.2 254 257 A G T < 5 + 0 0 1 -3,-1.5 -206,-2.0 1,-0.2 -205,-0.4 0.818 69.5 131.6 66.6 34.3 35.8 21.1 18.4 255 258 A L < - 0 0 7 -5,-3.8 -1,-0.2 -208,-0.1 2,-0.2 -0.817 58.1-103.9-119.5 159.0 36.7 24.7 19.0 256 259 A P - 0 0 2 0, 0.0 -89,-2.3 0, 0.0 2,-0.4 -0.533 26.0-161.3 -83.3 146.0 36.9 27.8 16.8 257 260 A V E -ef 167 282B 0 24,-2.5 26,-2.3 -2,-0.2 2,-0.5 -0.988 11.1-141.9-126.3 130.2 40.2 29.4 15.6 258 261 A L E -ef 168 283B 0 -91,-2.6 -89,-1.7 -2,-0.4 60,-0.1 -0.818 18.7-139.4 -92.5 126.6 40.6 32.9 14.4 259 262 A L - 0 0 0 24,-3.0 27,-0.2 -2,-0.5 -89,-0.0 -0.310 12.7-159.2 -72.5 166.1 42.9 33.3 11.5 260 263 A D - 0 0 2 1,-0.4 26,-0.6 25,-0.1 25,-0.5 0.325 39.9 -53.3-112.2-115.6 45.3 36.2 11.3 261 264 A G S > S- 0 0 5 26,-0.1 4,-2.1 24,-0.1 -1,-0.4 -0.026 83.0 -38.3-109.7-148.9 46.9 37.5 8.1 262 265 A F H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.840 130.1 51.3 -46.9 -51.4 48.9 36.2 5.2 263 266 A L H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 112.2 50.0 -56.9 -42.7 51.1 33.8 7.1 264 267 A S H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.867 103.8 57.1 -66.8 -35.3 48.0 32.3 8.6 265 268 A Y H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.927 105.9 51.5 -62.2 -41.1 46.3 31.9 5.2 266 269 A S H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.942 111.0 46.8 -60.6 -42.9 49.1 29.8 4.0 267 270 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.876 110.0 54.8 -64.5 -34.8 48.9 27.6 7.1 268 271 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.892 103.6 54.2 -67.8 -37.3 45.1 27.4 6.7 269 272 A L H X S+ 0 0 15 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.940 111.6 46.1 -59.5 -44.9 45.5 26.1 3.1 270 273 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.938 111.1 51.0 -62.4 -50.1 47.8 23.3 4.4 271 274 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 7,-0.2 0.909 111.7 47.4 -55.3 -44.7 45.5 22.4 7.2 272 275 A C H < S+ 0 0 27 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.803 111.1 51.2 -69.5 -28.1 42.5 22.2 4.9 273 276 A Q H < S+ 0 0 90 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.909 114.0 44.8 -72.3 -42.2 44.5 20.1 2.5 274 277 A I H < S+ 0 0 32 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.850 136.2 4.7 -68.0 -38.3 45.5 17.8 5.3 275 278 A A >< - 0 0 8 -4,-2.6 3,-2.3 -5,-0.2 4,-0.3 -0.733 53.6-167.7-158.2 100.9 42.0 17.7 6.7 276 279 A P G > S+ 0 0 97 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.793 86.9 75.8 -58.6 -28.7 38.9 19.2 5.2 277 280 A A G 3 S+ 0 0 43 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.655 84.8 68.9 -57.5 -15.3 37.1 18.6 8.4 278 281 A V G X> S+ 0 0 0 -3,-2.3 3,-2.2 -7,-0.2 4,-0.5 0.836 77.9 80.9 -72.1 -32.4 39.1 21.5 9.7 279 282 A R G X4 S+ 0 0 77 -3,-1.6 3,-1.6 -4,-0.3 -1,-0.2 0.810 81.9 57.6 -43.5 -51.6 37.3 24.2 7.6 280 283 A P G 34 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.629 102.6 56.5 -64.2 -11.9 34.2 24.7 9.6 281 284 A Y G <4 S+ 0 0 1 -3,-2.2 -24,-2.5 -4,-0.2 2,-0.3 0.586 87.9 99.6 -93.1 -13.5 36.3 25.7 12.7 282 285 A L E << -f 257 0B 1 -3,-1.6 -24,-0.2 -4,-0.5 -35,-0.0 -0.564 48.9-175.4 -80.8 134.1 38.1 28.5 10.9 283 286 A I E -f 258 0B 0 -26,-2.3 -24,-3.0 -2,-0.3 2,-0.1 -0.991 19.8-135.6-130.2 121.4 37.1 32.1 11.3 284 287 A P - 0 0 9 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.405 18.9-175.6 -72.2 156.3 38.7 34.8 9.2 285 288 A S - 0 0 1 -25,-0.5 21,-2.2 1,-0.4 20,-1.1 0.628 54.7 -5.6-112.0 -77.9 39.7 38.1 11.0 286 289 A H B -h 306 0D 5 -26,-0.6 2,-0.9 19,-0.2 -1,-0.4 -0.709 63.0-106.4-123.9 172.2 41.1 40.6 8.7 287 290 A F - 0 0 65 19,-2.4 22,-0.5 -2,-0.2 23,-0.3 -0.834 40.8-136.6 -99.6 98.2 42.1 41.2 5.1 288 291 A S - 0 0 8 -2,-0.9 23,-0.2 -28,-0.2 5,-0.1 -0.244 6.3-136.1 -56.5 141.6 45.9 41.3 5.0 289 292 A A + 0 0 51 21,-2.4 22,-0.1 4,-0.1 -1,-0.1 0.437 68.4 120.3 -77.9 1.8 47.6 44.0 2.9 290 293 A E S > S- 0 0 17 20,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.434 74.4-122.0 -65.6 137.7 50.1 41.4 1.5 291 294 A K T > S+ 0 0 136 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.875 109.2 52.4 -46.7 -46.9 49.7 41.2 -2.3 292 295 A G T 3> S+ 0 0 0 -97,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.411 81.9 98.4 -76.7 3.2 48.9 37.4 -2.3 293 296 A A H <> S+ 0 0 1 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 0.910 78.7 49.7 -57.7 -50.4 46.0 37.8 0.2 294 297 A R H <> S+ 0 0 56 -3,-0.6 4,-1.8 -4,-0.3 -1,-0.2 0.894 112.3 47.8 -57.6 -43.5 43.1 37.9 -2.2 295 298 A I H > S+ 0 0 41 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.929 112.7 48.9 -63.2 -46.8 44.3 34.8 -4.0 296 299 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.911 112.9 46.5 -58.8 -47.2 44.8 32.9 -0.8 297 300 A L H <>S+ 0 0 5 -4,-2.7 5,-3.0 1,-0.2 4,-0.4 0.788 107.0 57.6 -66.7 -32.4 41.4 33.9 0.6 298 301 A A H ><5S+ 0 0 64 -4,-1.8 3,-0.6 -5,-0.2 -1,-0.2 0.900 105.9 50.8 -66.1 -39.4 39.6 33.0 -2.5 299 302 A H H 3<5S+ 0 0 99 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.799 112.4 45.1 -68.7 -29.0 41.0 29.5 -2.3 300 303 A L T 3<5S- 0 0 12 -4,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.483 108.7-128.9 -88.9 -5.5 39.8 29.2 1.3 301 304 A S T < 5 + 0 0 102 -3,-0.6 2,-0.4 -4,-0.4 -3,-0.2 0.916 60.1 144.1 57.7 44.1 36.5 30.7 0.2 302 305 A M < - 0 0 15 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.940 40.4-165.3-120.7 140.7 36.8 33.2 3.0 303 306 A E - 0 0 56 -2,-0.4 -16,-0.1 -3,-0.1 -5,-0.0 -0.943 26.3-134.8-119.7 107.9 35.7 36.9 3.2 304 307 A P - 0 0 4 0, 0.0 -18,-0.2 0, 0.0 -19,-0.1 -0.213 2.4-140.6 -62.7 155.8 37.3 38.7 6.2 305 308 A Y S S+ 0 0 51 -20,-1.1 2,-0.5 -21,-0.2 -19,-0.2 0.814 82.4 61.0 -80.5 -34.6 35.3 40.9 8.5 306 309 A L B -h 286 0D 33 -21,-2.2 -19,-2.4 11,-0.0 2,-0.7 -0.875 54.1-171.0-105.2 126.8 38.0 43.6 9.0 307 310 A H + 0 0 140 -2,-0.5 -19,-0.1 -21,-0.2 -21,-0.1 -0.875 35.8 137.0-113.5 88.6 39.5 45.8 6.2 308 311 A M - 0 0 105 -2,-0.7 -1,-0.1 -21,-0.3 3,-0.1 0.369 65.5-122.2-116.2 1.9 42.4 47.5 8.1 309 312 A A + 0 0 74 -22,-0.5 2,-0.2 1,-0.2 -21,-0.1 0.812 54.7 168.8 55.4 33.9 45.2 47.3 5.6 310 313 A M + 0 0 39 -23,-0.3 -21,-2.4 1,-0.1 -20,-0.3 -0.503 24.1 162.8 -81.1 146.2 47.2 45.5 8.3 311 314 A R + 0 0 135 -23,-0.2 -1,-0.1 -2,-0.2 -23,-0.0 -0.168 43.7 102.5-154.7 44.8 50.4 43.6 7.7 312 315 A L - 0 0 98 1,-0.2 2,-0.2 -112,-0.1 -217,-0.1 0.803 55.4-165.7 -97.6 -41.0 52.1 43.1 11.0 313 316 A G > + 0 0 10 1,-0.1 3,-1.8 -141,-0.1 -1,-0.2 -0.550 47.2 118.5 84.2-153.7 51.4 39.5 11.8 314 317 A E T 3 S- 0 0 7 -143,-0.7 -144,-0.1 1,-0.3 -1,-0.1 0.337 109.2 -72.8 73.8 -8.4 52.0 38.2 15.4 315 318 A G T 3> S+ 0 0 0 -145,-0.1 4,-2.1 -253,-0.0 -1,-0.3 0.600 97.0 137.6 94.1 15.9 48.3 37.3 15.6 316 319 A S H <> S+ 0 0 1 -3,-1.8 4,-1.7 1,-0.2 -2,-0.1 0.894 70.6 47.9 -62.1 -41.3 47.4 41.0 15.8 317 320 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.880 109.2 55.5 -65.7 -40.3 44.4 40.8 13.4 318 321 A A H > S+ 0 0 0 -149,-0.3 4,-0.8 1,-0.2 3,-0.4 0.933 108.5 46.9 -57.4 -49.0 43.1 37.7 15.3 319 322 A A H >< S+ 0 0 1 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.896 108.4 56.1 -59.9 -42.8 43.1 39.6 18.6 320 323 A L H 3< S+ 0 0 58 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.816 107.0 49.7 -62.5 -30.9 41.4 42.6 16.9 321 324 A A H >X S+ 0 0 1 -4,-1.5 4,-1.6 -3,-0.4 3,-0.8 0.592 84.8 89.1 -85.8 -10.7 38.5 40.3 15.7 322 325 A M H S+ 0 0 63 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.844 102.6 57.0 -62.0 -29.9 35.3 41.3 20.1 324 327 A I H <> S+ 0 0 40 -3,-0.8 4,-1.9 -4,-0.3 -2,-0.2 0.935 105.2 50.1 -65.3 -43.5 33.4 40.6 17.0 325 328 A V H X S+ 0 0 1 -4,-1.6 4,-1.5 1,-0.2 3,-0.3 0.952 111.2 48.5 -59.1 -46.5 33.1 37.0 18.1 326 329 A E H X S+ 0 0 68 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.831 106.0 59.2 -62.8 -31.3 31.9 38.0 21.5 327 330 A A H X S+ 0 0 39 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.887 101.2 53.5 -62.8 -42.1 29.4 40.4 19.8 328 331 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.3 -1,-0.2 0.895 110.8 47.7 -60.9 -37.8 27.7 37.5 18.0 329 332 A C H X S+ 0 0 12 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.896 110.7 50.6 -69.6 -42.2 27.3 35.8 21.3 330 333 A A H X S+ 0 0 45 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.895 110.0 50.1 -60.9 -44.4 25.9 38.9 23.0 331 334 A M H X S+ 0 0 8 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.980 113.0 47.7 -56.2 -55.2 23.4 39.3 20.2 332 335 A F H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.846 122.7 31.0 -54.1 -47.1 22.3 35.7 20.5 333 336 A H H < S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.709 123.6 39.2 -91.4 -24.6 22.0 35.7 24.2 334 337 A N H < S+ 0 0 132 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.646 83.0 102.0-108.9 -10.3 20.9 39.1 25.2 335 338 A M < - 0 0 65 -4,-1.9 2,-0.0 -5,-0.4 -4,-0.0 -0.448 67.0-122.1 -73.5 153.3 18.5 40.4 22.6 336 339 A G - 0 0 36 -309,-0.1 -309,-2.4 -2,-0.1 2,-0.4 -0.188 30.9-106.3 -78.0 175.2 14.8 40.5 23.3 337 340 A E B >> -A 26 0A 90 -311,-0.3 3,-0.6 1,-0.1 4,-0.6 -0.893 6.1-132.2-115.9 144.8 12.2 38.7 21.1 338 341 A L H >>>S+ 0 0 22 -313,-2.2 5,-2.2 -2,-0.4 3,-1.7 0.887 106.3 55.0 -50.8 -51.1 9.7 39.8 18.6 339 342 A A H >45S+ 0 0 79 -314,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.832 99.3 60.2 -56.6 -37.7 6.9 37.8 20.1 340 343 A A H <45S+ 0 0 79 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.669 108.7 45.0 -65.9 -17.1 7.4 39.2 23.5 341 344 A S H <<5S- 0 0 64 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.474 112.9-117.4-102.7 -5.1 6.6 42.6 22.1 342 345 A N T <<5 + 0 0 147 -3,-1.0 2,-0.4 -4,-0.6 -3,-0.2 0.763 64.9 151.6 71.4 24.9 3.7 41.4 20.1 343 346 A I < - 0 0 72 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.761 26.6-170.6 -92.1 132.1 5.6 42.5 17.0 344 347 A V + 0 0 134 -2,-0.4 -5,-0.0 -3,-0.1 0, 0.0 -0.971 7.6 174.3-125.9 120.5 4.9 40.6 13.8 345 348 A L 0 0 79 -2,-0.5 -317,-0.0 -317,-0.1 -2,-0.0 -0.952 360.0 360.0-123.2 147.4 7.1 41.1 10.7 346 349 A P 0 0 163 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.106 360.0 360.0 -44.8 360.0 7.0 39.3 7.4