==== 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 1L5N . 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) . 13012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 74.3 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 . 21 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.9 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 0 1 0 0 3 0 0 2 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 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.6 48.4 11.9 14.0 2 5 A H H > + 0 0 80 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.875 360.0 49.2 -66.7 -34.9 46.2 9.7 11.7 3 6 A A H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 108.7 53.0 -66.1 -47.4 44.1 9.2 14.8 4 7 A L H 4 S+ 0 0 23 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.949 112.6 42.8 -51.4 -56.8 44.1 13.0 15.5 5 8 A L H >< S+ 0 0 43 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.877 112.3 54.5 -60.8 -40.1 42.9 13.7 12.0 6 9 A R H 3< S+ 0 0 173 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 105.7 53.3 -63.8 -35.2 40.3 10.9 12.0 7 10 A D T 3< S+ 0 0 65 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.294 71.4 125.0 -87.0 9.7 38.7 12.2 15.3 8 11 A I < - 0 0 16 -3,-1.2 244,-0.2 -4,-0.2 2,-0.1 -0.578 63.3-124.1 -69.3 124.9 38.0 15.8 14.2 9 12 A P - 0 0 39 0, 0.0 245,-0.1 0, 0.0 -1,-0.1 -0.369 11.5-123.2 -74.3 147.4 34.2 16.2 14.8 10 13 A A - 0 0 78 1,-0.1 267,-0.0 -2,-0.1 268,-0.0 -0.491 44.5 -88.7 -79.2 157.5 31.8 17.3 12.1 11 14 A P - 0 0 55 0, 0.0 2,-1.0 0, 0.0 35,-0.2 -0.356 42.5-109.6 -66.0 151.6 29.7 20.4 13.0 12 15 A D > - 0 0 61 33,-2.7 4,-1.8 1,-0.2 5,-0.2 -0.721 30.0-172.2 -86.8 99.4 26.4 19.8 14.9 13 16 A A H > S+ 0 0 76 -2,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.812 82.5 59.0 -62.8 -29.0 23.6 20.5 12.5 14 17 A E H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 106.4 45.2 -67.1 -46.7 21.0 20.1 15.2 15 18 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 112.5 53.5 -64.8 -36.4 22.5 22.9 17.4 16 19 A M H X S+ 0 0 54 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.888 106.7 50.2 -67.2 -37.9 22.8 25.1 14.3 17 20 A A H X S+ 0 0 64 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.924 111.9 48.8 -66.0 -41.1 19.2 24.7 13.4 18 21 A R H X S+ 0 0 131 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.898 111.6 50.4 -63.7 -39.2 18.2 25.6 16.9 19 22 A T H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.938 109.0 50.5 -64.3 -46.1 20.5 28.6 16.8 20 23 A Q H X S+ 0 0 73 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.920 108.8 51.5 -58.8 -44.4 19.0 29.8 13.5 21 24 A Q H X S+ 0 0 68 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.899 111.1 48.5 -60.1 -40.8 15.5 29.6 14.8 22 25 A H H < S+ 0 0 61 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.905 110.7 49.7 -67.6 -41.2 16.4 31.7 17.8 23 26 A I H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.889 105.5 57.7 -64.6 -38.5 18.2 34.4 15.8 24 27 A D H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.3 4,-0.2 0.817 104.9 52.6 -63.5 -28.6 15.2 34.7 13.4 25 28 A G T 3< S+ 0 0 29 -4,-1.0 313,-2.1 -3,-0.3 314,-0.4 0.391 85.8 112.1 -88.6 4.5 12.9 35.5 16.4 26 29 A L B < S-A 337 0A 0 -3,-1.6 2,-2.3 311,-0.3 311,-0.3 -0.313 87.6 -82.7 -78.1 166.0 15.1 38.3 17.8 27 30 A L S S+ 0 0 69 309,-2.3 -1,-0.1 311,-0.1 309,-0.1 -0.368 99.8 71.4 -67.7 72.1 14.0 42.0 17.8 28 31 A K S S- 0 0 16 -2,-2.3 310,-0.1 -4,-0.2 3,-0.1 -0.956 95.3 -74.4-174.4 160.9 15.1 42.9 14.3 29 32 A P S > S- 0 0 82 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.468 71.1 -88.2 -66.0 137.5 14.1 42.3 10.7 30 33 A P T 3 S+ 0 0 80 0, 0.0 -6,-0.1 0, 0.0 -5,-0.0 -0.228 111.1 6.9 -50.5 133.0 15.1 38.8 9.8 31 34 A G T > S+ 0 0 42 -8,-0.1 3,-1.8 -3,-0.1 6,-0.1 0.354 90.7 124.6 75.8 -2.9 18.6 38.6 8.5 32 35 A S T < + 0 0 64 -3,-2.4 3,-0.1 1,-0.3 -1,-0.1 0.698 67.3 56.6 -65.2 -20.3 19.3 42.2 9.3 33 36 A L T >> S- 0 0 65 -4,-0.3 3,-2.3 1,-0.2 4,-0.6 0.292 87.2-178.2 -93.3 12.3 22.4 41.6 11.4 34 37 A G H X> + 0 0 34 -3,-1.8 4,-1.7 1,-0.3 3,-1.1 0.067 62.4 15.9 36.3-116.2 23.9 39.7 8.5 35 38 A R H 3> S+ 0 0 110 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.671 121.1 64.0 -63.5 -17.5 27.4 38.2 9.1 36 39 A L H <> S+ 0 0 49 -3,-2.3 4,-1.8 2,-0.2 -1,-0.3 0.866 105.3 46.9 -71.9 -34.0 26.9 38.5 12.8 37 40 A E H < S+ 0 0 42 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.936 110.1 48.0 -61.0 -46.7 28.7 28.8 12.8 43 46 A L H >< S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.896 103.9 60.3 -61.4 -40.7 29.8 28.9 16.5 44 47 A A H 3< S+ 0 0 1 -4,-1.9 7,-0.3 1,-0.3 -1,-0.2 0.811 101.2 56.7 -58.4 -30.3 26.7 27.0 17.7 45 48 A G T << S+ 0 0 0 -4,-1.3 -33,-2.7 -3,-0.5 -1,-0.3 0.563 79.6 100.0 -80.0 -8.4 27.8 24.1 15.5 46 49 A M X - 0 0 2 -3,-1.8 3,-2.6 -4,-0.4 5,-0.3 -0.713 68.4-144.8 -84.0 112.5 31.2 23.6 17.1 47 50 A P G > S+ 0 0 53 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.747 94.3 62.6 -45.8 -35.8 31.0 20.7 19.6 48 51 A G G 3 S+ 0 0 26 206,-1.9 207,-0.1 1,-0.3 206,-0.1 0.622 95.0 63.1 -70.7 -10.5 33.4 22.2 22.1 49 52 A L G X S- 0 0 0 -3,-2.6 3,-1.1 205,-0.4 -1,-0.3 0.274 108.0-121.8 -96.1 9.3 31.1 25.1 22.6 50 53 A N T < - 0 0 125 -3,-1.5 -2,-0.1 1,-0.2 -5,-0.1 0.888 63.7 -55.4 55.1 48.7 28.3 23.0 24.0 51 54 A G T 3 S+ 0 0 17 -5,-0.3 -1,-0.2 -7,-0.3 -7,-0.1 0.547 117.9 76.8 67.4 12.6 25.5 23.8 21.5 52 55 A T S < S- 0 0 35 -3,-1.1 2,-0.5 -6,-0.2 -1,-0.1 -0.999 86.8 -99.9-151.8 148.4 25.4 27.6 21.9 53 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 280,-0.1 -0.574 63.6 141.3 -71.0 122.9 27.5 30.5 20.7 54 57 A Q - 0 0 64 -2,-0.5 2,-0.4 111,-0.1 -2,-0.0 -0.989 40.1-148.5-156.7 159.5 29.7 31.5 23.7 55 58 A V + 0 0 34 -2,-0.3 3,-0.1 271,-0.1 109,-0.1 -0.997 19.9 165.3-135.6 126.8 33.2 32.7 24.5 56 59 A G - 0 0 31 1,-0.5 108,-0.2 -2,-0.4 2,-0.2 0.431 63.9 -6.7-105.0-113.6 35.0 31.8 27.7 57 60 A E E -b 164 0B 121 106,-2.3 108,-2.6 103,-0.1 109,-1.2 -0.540 69.1-146.7 -83.9 156.1 38.8 32.3 27.9 58 61 A K E -b 166 0B 25 46,-0.5 48,-2.5 106,-0.2 2,-0.4 -0.955 14.5-175.8-126.0 142.2 40.7 33.5 24.9 59 62 A A E -bc 167 106B 1 107,-2.2 109,-1.8 -2,-0.4 2,-0.5 -0.999 15.5-156.2-140.3 139.8 44.3 32.7 23.8 60 63 A V E -bc 168 107B 0 46,-2.5 48,-3.0 -2,-0.4 2,-0.6 -0.972 16.2-153.9-112.7 122.6 46.5 33.9 20.9 61 64 A L E -bc 169 108B 0 107,-2.7 109,-2.3 -2,-0.5 2,-0.7 -0.882 6.3-162.6-100.8 119.6 49.3 31.4 20.1 62 65 A V E -bc 170 109B 0 46,-2.9 48,-2.9 -2,-0.6 2,-0.6 -0.880 4.5-155.2-108.3 112.0 52.3 33.0 18.5 63 66 A M E -bc 171 110B 0 107,-2.5 109,-1.7 -2,-0.7 2,-0.4 -0.752 13.0-164.3 -89.8 121.2 54.7 30.5 16.8 64 67 A C E +bc 172 111B 0 46,-3.1 48,-2.5 -2,-0.6 49,-1.1 -0.886 21.4 137.4-112.4 133.9 58.3 31.8 16.5 65 68 A A E - c 0 113B 0 107,-2.1 49,-0.3 -2,-0.4 2,-0.2 -0.985 39.5-121.7-165.5 158.1 61.0 30.5 14.3 66 69 A D - 0 0 3 47,-2.7 65,-1.7 -2,-0.3 2,-0.4 -0.682 22.4-140.5-105.3 161.6 63.9 31.5 12.0 67 70 A H B > -g 131 0C 2 107,-0.5 3,-1.6 63,-0.3 4,-0.2 -0.972 12.7-145.2-127.0 132.7 64.4 30.6 8.4 68 71 A G G > S+ 0 0 12 63,-1.0 3,-1.9 -2,-0.4 65,-0.3 0.791 97.0 73.2 -65.3 -25.6 67.5 29.7 6.5 69 72 A V G > >S+ 0 0 3 63,-0.4 3,-1.9 1,-0.3 5,-0.6 0.595 72.8 85.5 -66.1 -9.1 66.2 31.5 3.4 70 73 A W G X 5S+ 0 0 70 -3,-1.6 3,-1.6 1,-0.3 5,-0.4 0.859 79.8 65.2 -58.4 -31.9 66.9 34.8 5.2 71 74 A D G < 5S+ 0 0 113 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.648 85.2 71.0 -66.8 -14.3 70.4 34.4 3.8 72 75 A E G < 5S- 0 0 50 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.386 114.9-111.9 -83.6 6.1 69.1 34.8 0.2 73 76 A G T < 5S+ 0 0 44 -3,-1.6 -2,-0.1 2,-0.1 -3,-0.1 0.800 76.2 133.9 71.3 31.0 68.5 38.5 1.0 74 77 A V < + 0 0 3 -5,-0.6 2,-0.3 -4,-0.2 101,-0.1 0.419 63.2 51.2 -91.6 1.0 64.7 38.3 0.9 75 78 A A - 0 0 23 -5,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.999 56.8-160.3-141.8 136.6 64.2 40.3 4.2 76 79 A V + 0 0 78 -2,-0.3 -1,-0.1 124,-0.3 125,-0.1 0.617 68.0 98.4 -89.1 -15.1 65.5 43.7 5.4 77 80 A S S S- 0 0 30 123,-0.1 -2,-0.1 1,-0.1 123,-0.0 -0.542 86.4-107.5 -73.8 136.8 64.9 43.0 9.1 78 81 A P > - 0 0 72 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.334 26.8-120.0 -60.0 147.5 68.0 41.8 11.0 79 82 A K T > S+ 0 0 42 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.864 109.3 65.1 -58.6 -37.8 67.8 38.1 11.8 80 83 A I T 3> S+ 0 0 99 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.660 78.5 84.1 -59.5 -18.3 68.0 38.8 15.5 81 84 A V H <> S+ 0 0 36 -3,-1.7 4,-2.7 1,-0.2 5,-0.3 0.863 83.8 59.6 -58.1 -31.5 64.7 40.6 15.4 82 85 A T H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.983 110.8 39.9 -58.1 -55.3 62.9 37.2 15.8 83 86 A A H > S+ 0 0 18 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.894 116.4 50.3 -59.7 -43.1 64.7 36.5 19.1 84 87 A I H X S+ 0 0 88 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.926 112.7 45.5 -62.7 -47.0 64.3 40.1 20.3 85 88 A Q H X S+ 0 0 43 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.838 107.7 57.7 -67.0 -34.1 60.6 40.3 19.6 86 89 A A H X S+ 0 0 0 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.933 108.6 46.6 -63.0 -41.2 60.0 36.9 21.1 87 90 A A H >X S+ 0 0 13 -4,-1.9 3,-1.2 1,-0.2 4,-0.6 0.924 109.3 54.3 -64.5 -42.6 61.4 38.3 24.4 88 91 A N H >X>S+ 0 0 34 -4,-2.2 5,-1.3 1,-0.3 3,-1.2 0.831 97.7 65.0 -60.6 -30.6 59.3 41.4 24.0 89 92 A M H ><5S+ 0 0 7 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.835 99.1 53.1 -60.1 -32.7 56.3 39.2 23.8 90 93 A T H <<5S+ 0 0 65 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.645 107.7 51.8 -77.2 -13.5 57.0 38.1 27.4 91 94 A R H <<5S- 0 0 164 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.486 108.4-121.7 -99.4 -6.5 57.0 41.8 28.5 92 95 A G T <<5S+ 0 0 39 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.649 78.8 114.3 77.1 19.5 53.7 42.8 26.9 93 96 A T < + 0 0 96 -5,-1.3 -4,-0.1 4,-0.1 2,-0.1 0.452 47.1 97.9-101.9 -2.4 55.0 45.5 24.7 94 97 A T S > S- 0 0 6 -6,-0.4 4,-2.3 -9,-0.1 5,-0.2 -0.398 85.3-104.9 -84.7 166.7 54.4 44.1 21.2 95 98 A G H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 120.1 47.0 -54.3 -48.0 51.4 44.8 18.9 96 99 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 110.5 53.6 -66.5 -35.5 49.6 41.5 19.6 97 100 A C H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 111.1 45.3 -61.7 -46.0 50.1 41.9 23.4 98 101 A V H X S+ 0 0 81 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.924 117.7 43.2 -64.9 -43.3 48.5 45.3 23.4 99 102 A L H X S+ 0 0 50 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.845 113.8 51.3 -73.7 -30.2 45.6 44.2 21.2 100 103 A A H <>S+ 0 0 1 -4,-2.7 5,-2.9 -5,-0.2 4,-0.5 0.917 108.7 51.2 -71.1 -42.7 45.2 40.9 23.1 101 104 A A H ><5S+ 0 0 74 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.901 107.0 54.3 -59.0 -40.3 45.1 42.7 26.4 102 105 A Q H 3<5S+ 0 0 164 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.867 113.3 43.2 -62.0 -35.0 42.4 45.1 25.0 103 106 A A T 3<5S- 0 0 9 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.419 115.9-114.5 -91.7 3.3 40.4 41.9 24.0 104 107 A G T < 5S+ 0 0 48 -3,-1.1 -46,-0.5 -4,-0.5 2,-0.3 0.786 70.7 137.1 71.2 26.9 41.0 40.2 27.4 105 108 A A < - 0 0 13 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.2 -0.736 50.6-128.5-105.8 155.5 43.0 37.4 25.7 106 109 A K E -c 59 0B 51 -48,-2.5 -46,-2.5 -2,-0.3 2,-0.5 -0.839 17.5-135.6-103.7 142.3 46.3 35.8 26.9 107 110 A V E -c 60 0B 38 -2,-0.4 2,-0.6 -48,-0.2 -46,-0.2 -0.834 12.2-163.6 -99.5 124.0 49.3 35.5 24.6 108 111 A H E -c 61 0B 43 -48,-3.0 -46,-2.9 -2,-0.5 2,-0.6 -0.943 9.0-156.8-105.5 118.6 51.2 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 -0.871 11.9-170.5-100.2 122.4 54.6 32.7 22.9 110 113 A I E -cd 63 123B 0 -48,-2.9 -46,-3.1 -2,-0.6 2,-0.8 -0.944 16.5-149.7-121.2 124.6 56.0 29.4 21.5 111 114 A D E +cd 64 124B 4 12,-3.0 14,-2.7 -2,-0.5 -46,-0.2 -0.818 26.9 161.3 -91.6 112.0 59.5 28.9 20.2 112 115 A V E S- 0 0 0 -48,-2.5 15,-2.0 -2,-0.8 16,-0.4 0.357 81.5 -14.6-110.1 1.3 59.4 26.2 17.5 113 116 A G E S+c 65 0B 0 -49,-1.1 -47,-2.7 13,-0.2 17,-0.7 0.388 71.7 164.5 165.9 41.7 62.8 27.1 15.9 114 117 A I - 0 0 0 -49,-0.3 2,-1.6 -50,-0.3 16,-0.0 -0.556 38.8-130.7 -74.9 135.5 64.4 30.5 16.8 115 118 A D S S+ 0 0 62 -2,-0.2 2,-0.3 14,-0.2 -32,-0.1 -0.576 79.2 69.3 -87.7 74.9 68.1 30.7 15.9 116 119 A A S S- 0 0 20 -2,-1.6 3,-0.1 -33,-0.1 -2,-0.1 -0.950 96.9 -61.6-171.4 173.2 69.3 31.9 19.3 117 120 A E S S- 0 0 152 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.371 73.9 -79.9 -67.9 153.1 69.7 30.7 22.8 118 121 A P - 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0 0 132 -4,-2.6 -3,-0.1 -5,-0.2 -4,-0.1 0.939 18.0-159.6 50.5 54.8 59.0 19.6 -6.1 223 226 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.416 17.0-120.8 -67.5 141.2 56.4 19.7 -3.3 224 227 A N > - 0 0 78 3,-0.2 3,-2.2 1,-0.1 7,-0.4 -0.768 14.7-151.7 -86.2 112.9 53.3 17.7 -4.0 225 228 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.692 94.3 58.1 -55.9 -23.4 50.2 20.1 -3.9 226 229 A R T 3 S+ 0 0 68 1,-0.2 2,-0.6 2,-0.0 -2,-0.0 0.512 97.8 64.1 -89.1 -3.9 48.0 17.2 -2.8 227 230 A D <> - 0 0 43 -3,-2.2 4,-2.3 1,-0.1 3,-0.2 -0.870 62.5-172.1-122.0 96.3 50.1 16.4 0.3 228 231 A G H > S+ 0 0 1 -2,-0.6 4,-2.5 1,-0.2 5,-0.1 0.798 87.6 52.1 -58.5 -32.0 50.0 19.4 2.7 229 232 A I H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 108.4 51.8 -72.4 -36.6 52.6 17.8 5.0 230 233 A D H > S+ 0 0 24 -3,-0.2 4,-1.9 1,-0.2 5,-0.2 0.932 111.9 47.6 -63.1 -43.8 54.9 17.4 2.0 231 234 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 -7,-0.4 5,-0.4 0.940 112.3 47.6 -63.5 -48.4 54.4 21.0 1.1 232 235 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.903 113.5 47.3 -60.0 -42.8 55.0 22.3 4.7 233 236 A S H < S+ 0 0 5 -4,-2.5 -93,-2.1 2,-0.2 -94,-0.8 0.851 118.8 39.9 -71.4 -30.4 58.1 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 0.945 136.2 7.0 -84.5 -51.6 59.7 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 0.186 115.1 77.0-120.4 17.4 58.9 24.9 1.3 236 239 A G < - 0 0 0 -4,-1.3 2,-0.3 -5,-0.4 -102,-0.1 0.155 68.4-128.9 -99.6-142.0 57.4 25.9 4.6 237 240 A G > - 0 0 0 1,-0.1 4,-2.4 -58,-0.1 5,-0.2 -0.955 30.0 -95.0-165.0 169.5 59.0 26.6 8.0 238 241 A F H > S+ 0 0 3 -172,-0.3 4,-2.8 -2,-0.3 5,-0.1 0.866 124.1 52.0 -64.3 -38.5 58.6 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 0.930 110.5 48.2 -63.4 -43.8 56.4 28.7 12.4 240 243 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.911 112.3 48.6 -62.6 -43.3 54.1 27.7 9.5 241 244 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.940 110.0 52.9 -61.5 -45.1 53.9 24.1 10.7 242 245 A G H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.906 107.8 49.7 -58.3 -43.3 53.1 25.3 14.2 243 246 A M H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.904 109.5 51.3 -62.4 -40.2 50.2 27.5 13.0 244 247 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.895 107.7 55.7 -61.7 -38.8 48.8 24.6 11.0 245 248 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.807 103.0 52.5 -63.4 -34.4 49.1 22.6 14.3 246 249 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 -3,-0.2 5,-0.3 0.917 110.1 50.5 -68.7 -40.4 47.0 25.1 16.2 247 250 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.909 111.5 45.9 -64.6 -41.3 44.3 24.8 13.6 248 251 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.891 114.7 49.1 -69.3 -36.2 44.3 21.0 13.7 249 252 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.887 110.4 48.3 -68.5 -41.9 44.3 21.0 17.4 250 253 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 4,-0.2 0.923 114.0 48.9 -64.3 -43.0 41.4 23.5 17.8 251 254 A A H ><5S+ 0 0 0 -4,-2.0 3,-1.7 -5,-0.3 -2,-0.2 0.926 109.2 50.2 -61.8 -45.7 39.4 21.5 15.2 252 255 A R H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.871 112.3 50.0 -57.9 -37.5 40.1 18.2 17.0 253 256 A a T 3<5S- 0 0 24 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.447 114.9-121.4 -78.3 -6.9 38.9 20.0 20.2 254 257 A G T < 5 + 0 0 0 -3,-1.7 -206,-1.9 -4,-0.2 -205,-0.4 0.825 69.3 128.5 67.3 33.9 35.8 21.2 18.3 255 258 A L < - 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0 0 9 -4,-2.4 3,-2.1 -5,-0.2 4,-0.3 -0.790 58.5-165.5-151.9 101.0 42.1 17.5 6.7 276 279 A P G > S+ 0 0 97 0, 0.0 3,-1.4 0, 0.0 -4,-0.1 0.748 86.3 75.9 -57.8 -23.6 39.1 19.2 5.0 277 280 A A G 3 S+ 0 0 46 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.603 81.6 69.9 -64.2 -12.6 37.2 18.7 8.3 278 281 A V G X S+ 0 0 0 -3,-2.1 3,-1.9 -7,-0.2 4,-0.4 0.805 78.0 82.3 -74.9 -27.5 39.2 21.6 9.8 279 282 A R G X S+ 0 0 75 -3,-1.4 3,-1.4 -4,-0.3 -1,-0.2 0.803 80.4 58.3 -48.4 -46.7 37.4 24.2 7.6 280 283 A P G 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.678 104.0 56.1 -60.8 -17.0 34.2 24.8 9.6 281 284 A Y G < S+ 0 0 1 -3,-1.9 -24,-2.3 -4,-0.2 2,-0.3 0.573 86.1 95.3 -92.4 -10.7 36.3 25.8 12.6 282 285 A L E < -f 257 0B 1 -3,-1.4 -24,-0.2 -4,-0.4 -35,-0.0 -0.604 50.8-171.7 -87.4 140.6 38.3 28.6 11.0 283 286 A I E -f 258 0B 0 -26,-2.3 -24,-2.8 -2,-0.3 2,-0.1 -0.997 19.0-133.6-131.0 124.7 37.1 32.2 11.3 284 287 A P - 0 0 10 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.392 20.0-176.0 -74.5 155.6 38.8 35.0 9.2 285 288 A S - 0 0 0 1,-0.5 21,-2.4 -25,-0.4 20,-1.2 0.638 56.1 -3.0-114.0 -74.4 39.7 38.2 11.0 286 289 A H B -h 306 0D 2 -26,-0.5 2,-0.9 19,-0.2 -1,-0.5 -0.751 63.6-110.4-122.2 168.6 41.1 40.8 8.7 287 290 A F - 0 0 68 19,-2.6 22,-0.5 -2,-0.3 21,-0.3 -0.845 42.4-134.9 -98.7 100.6 42.1 41.3 5.0 288 291 A S - 0 0 7 -2,-0.9 23,-0.2 -28,-0.2 5,-0.1 -0.167 6.1-133.2 -55.1 143.3 45.9 41.5 5.0 289 292 A A + 0 0 53 21,-2.2 2,-0.3 4,-0.1 -1,-0.1 0.235 69.7 121.1 -83.7 17.8 47.6 44.2 2.9 290 293 A E S > S- 0 0 14 20,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.618 73.7-120.2 -82.0 142.1 50.0 41.5 1.5 291 294 A K T > S+ 0 0 134 1,-0.3 3,-0.6 -2,-0.3 4,-0.3 0.865 109.1 46.7 -48.3 -48.2 49.9 41.1 -2.2 292 295 A G T 3> S+ 0 0 0 -97,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.377 83.7 98.9 -81.0 7.1 48.9 37.4 -2.3 293 296 A A H <> S+ 0 0 1 -3,-2.0 4,-2.7 1,-0.2 5,-0.3 0.933 78.5 52.6 -59.0 -49.3 46.1 37.8 0.3 294 297 A R H <> S+ 0 0 58 -3,-0.6 4,-1.9 -4,-0.4 -1,-0.2 0.894 111.6 46.2 -56.2 -42.3 43.3 38.0 -2.2 295 298 A I H > S+ 0 0 45 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.937 112.7 48.3 -67.8 -47.0 44.3 34.7 -3.9 296 299 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.930 112.9 48.5 -59.3 -44.9 44.8 32.8 -0.7 297 300 A L H X>S+ 0 0 5 -4,-2.7 5,-2.2 1,-0.2 4,-0.6 0.867 107.1 55.8 -64.6 -36.8 41.5 33.9 0.7 298 301 A A H ><5S+ 0 0 68 -4,-1.9 3,-0.6 -5,-0.3 -1,-0.2 0.879 107.1 50.2 -64.5 -36.8 39.6 33.0 -2.6 299 302 A H H 3<5S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.799 113.0 45.2 -72.6 -24.4 41.0 29.5 -2.3 300 303 A L H 3<5S- 0 0 10 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.470 108.0-129.7 -91.7 -3.2 39.8 29.2 1.3 301 304 A S T <<5 + 0 0 101 -4,-0.6 2,-0.4 -3,-0.6 -3,-0.2 0.934 58.9 145.5 52.3 50.0 36.4 30.8 0.2 302 305 A M < - 0 0 17 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.948 40.1-164.7-123.1 142.4 36.8 33.3 3.1 303 306 A E - 0 0 57 -2,-0.4 -16,-0.1 -3,-0.1 -5,-0.0 -0.939 24.5-135.3-125.1 105.6 35.8 36.9 3.4 304 307 A P - 0 0 5 0, 0.0 -18,-0.2 0, 0.0 -19,-0.1 -0.118 3.2-139.5 -58.9 156.0 37.4 38.8 6.3 305 308 A Y S S+ 0 0 53 -20,-1.2 2,-0.4 -21,-0.1 -19,-0.2 0.832 82.6 58.4 -82.7 -35.0 35.4 41.0 8.6 306 309 A L B -h 286 0D 37 -21,-2.4 -19,-2.6 11,-0.0 2,-0.7 -0.852 54.0-169.2-109.2 131.9 38.0 43.8 8.9 307 310 A H + 0 0 138 -2,-0.4 -19,-0.1 -21,-0.2 -21,-0.1 -0.871 35.2 139.5-114.0 92.3 39.7 45.9 6.2 308 311 A M - 0 0 97 -2,-0.7 -1,-0.1 -21,-0.3 3,-0.1 0.332 63.2-123.6-117.6 5.7 42.5 47.6 8.1 309 312 A A + 0 0 76 -22,-0.5 2,-0.2 1,-0.2 -21,-0.1 0.807 56.8 163.3 52.4 30.9 45.4 47.4 5.6 310 313 A M + 0 0 40 -23,-0.3 -21,-2.2 1,-0.1 -20,-0.3 -0.542 23.9 160.2 -83.3 148.6 47.3 45.6 8.3 311 314 A R + 0 0 123 -2,-0.2 -1,-0.1 -23,-0.2 -23,-0.0 0.077 41.5 106.5-153.5 26.3 50.5 43.6 7.7 312 315 A L - 0 0 101 1,-0.2 2,-0.3 -112,-0.0 -217,-0.0 0.917 56.3-166.3 -75.8 -44.2 52.3 43.3 11.0 313 316 A G > + 0 0 11 1,-0.1 3,-2.0 -141,-0.1 -1,-0.2 -0.701 46.5 121.0 90.5-146.3 51.5 39.7 11.7 314 317 A E T 3 S- 0 0 7 -143,-1.0 -144,-0.1 -2,-0.3 -1,-0.1 0.349 107.0 -73.2 68.0 -6.6 52.1 38.4 15.3 315 318 A G T 3> S+ 0 0 0 -145,-0.1 4,-1.9 -146,-0.1 -1,-0.3 0.561 97.9 135.1 94.2 10.6 48.4 37.4 15.5 316 319 A S H <> + 0 0 2 -3,-2.0 4,-1.9 1,-0.2 -2,-0.1 0.878 69.8 50.0 -60.7 -39.8 47.5 41.1 15.9 317 320 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.897 108.0 53.5 -66.2 -39.5 44.6 40.8 13.4 318 321 A A H > S+ 0 0 0 -149,-0.3 4,-0.7 1,-0.2 3,-0.3 0.921 109.8 47.9 -61.6 -41.9 43.2 37.8 15.2 319 322 A A H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.894 106.7 56.9 -66.0 -39.4 43.2 39.7 18.5 320 323 A L H 3< S+ 0 0 56 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.807 107.7 49.5 -62.5 -29.6 41.5 42.7 16.9 321 324 A A H >X S+ 0 0 1 -4,-1.5 4,-1.4 -3,-0.3 3,-1.1 0.587 82.3 90.0 -89.0 -9.5 38.6 40.5 15.8 322 325 A M H S+ 0 0 61 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.815 101.6 56.7 -60.1 -29.9 35.4 41.5 20.1 324 327 A I H <> S+ 0 0 41 -3,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.904 106.1 48.7 -68.7 -41.5 33.4 40.7 17.0 325 328 A V H X S+ 0 0 1 -4,-1.4 4,-1.6 -3,-0.3 3,-0.2 0.947 112.4 48.4 -63.5 -44.6 33.1 37.0 18.0 326 329 A E H X S+ 0 0 65 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.854 107.2 57.5 -62.4 -32.0 32.0 38.2 21.5 327 330 A A H X S+ 0 0 42 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.894 103.2 51.7 -65.9 -39.0 29.5 40.6 19.8 328 331 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.877 112.0 48.0 -66.0 -33.9 27.8 37.7 17.9 329 332 A C H X S+ 0 0 12 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.903 110.8 50.1 -71.9 -40.7 27.4 35.9 21.2 330 333 A A H X S+ 0 0 45 -4,-2.4 4,-2.7 2,-0.2 5,-0.5 0.913 109.7 51.2 -62.8 -43.7 26.0 39.0 23.0 331 334 A M H X S+ 0 0 12 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.949 112.5 47.6 -57.2 -49.1 23.5 39.5 20.2 332 335 A F H < S+ 0 0 18 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.897 121.6 31.4 -60.7 -46.5 22.4 35.9 20.5 333 336 A H H < S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.761 125.2 37.8 -87.9 -24.5 22.0 35.7 24.3 334 337 A N H < S+ 0 0 132 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.660 84.8 99.9-106.5 -18.4 21.0 39.3 25.2 335 338 A M < - 0 0 59 -4,-1.5 2,-0.1 -5,-0.5 -4,-0.0 -0.368 68.9-121.1 -70.2 151.0 18.6 40.6 22.6 336 339 A G - 0 0 37 -309,-0.1 -309,-2.3 1,-0.1 2,-0.3 -0.263 28.8-107.6 -80.9 176.5 14.9 40.6 23.2 337 340 A E B >> -A 26 0A 89 -311,-0.3 4,-0.7 1,-0.1 3,-0.6 -0.853 8.8-129.2-114.7 146.7 12.4 38.8 21.0 338 341 A L G >4>S+ 0 0 23 -313,-2.1 5,-2.4 -2,-0.3 3,-1.3 0.887 107.3 55.6 -52.2 -48.1 9.8 40.0 18.5 339 342 A A G >45S+ 0 0 85 -314,-0.4 3,-1.2 1,-0.3 -1,-0.2 0.843 100.8 58.3 -57.7 -36.7 6.9 38.0 20.0 340 343 A A G <45S+ 0 0 78 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.720 111.0 42.5 -68.0 -20.7 7.5 39.5 23.5 341 344 A S G <<5S- 0 0 68 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.301 113.9-119.3-105.1 7.0 6.9 43.0 22.0 342 345 A N T < 5 + 0 0 145 -3,-1.2 2,-0.6 -4,-0.2 -3,-0.2 0.861 60.0 153.7 58.3 38.2 4.0 41.7 19.9 343 346 A I < - 0 0 72 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.2 -0.877 23.5-170.8-101.3 125.3 5.7 42.7 16.7 344 347 A V - 0 0 135 -2,-0.6 -5,-0.0 -3,-0.1 0, 0.0 -0.966 4.4-176.5-119.1 121.4 4.7 40.7 13.7 345 348 A L 0 0 83 -2,-0.5 -2,-0.0 1,-0.0 -7,-0.0 -0.901 360.0 360.0-118.2 146.9 6.6 41.1 10.4 346 349 A P 0 0 175 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.294 360.0 360.0 -54.8 360.0 5.9 39.5 7.0