==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-AUG-08 3E7X . COMPND 2 MOLECULE: D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR H.YONUS,P.NEUMANN,S.ZIMMERMANN,J.J.MAY,M.A.MARAHIEL, . 508 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 13.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 44 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 2 0 1 1 5 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 5 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 PARALLEL BRIDGES PER LADDER . 3 1 1 3 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A M 0 0 138 0, 0.0 5,-0.1 0, 0.0 206,-0.0 0.000 360.0 360.0 360.0 115.5 6.1 35.3 2.2 2 2 A K > - 0 0 52 1,-0.1 4,-1.7 3,-0.1 3,-0.3 -0.115 360.0-117.5 -45.2 142.6 7.8 33.0 4.7 3 3 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.918 110.6 54.0 -51.3 -53.2 11.3 34.4 5.5 4 4 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 106.9 51.6 -55.2 -39.6 13.2 31.4 4.2 5 5 A H H > S+ 0 0 49 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.883 106.7 52.7 -67.8 -38.4 11.5 31.6 0.7 6 6 A A H X S+ 0 0 4 -4,-1.7 4,-2.4 -3,-0.3 5,-0.2 0.963 111.8 46.1 -61.2 -48.6 12.3 35.3 0.4 7 7 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.925 112.4 51.5 -57.5 -45.3 16.0 34.6 1.1 8 8 A Q H X S+ 0 0 45 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.903 110.6 49.0 -57.2 -43.4 15.8 31.7 -1.4 9 9 A T H X S+ 0 0 46 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.866 108.8 51.1 -66.6 -38.3 14.3 34.0 -4.0 10 10 A H H X S+ 0 0 26 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.841 107.0 55.9 -67.6 -31.7 17.0 36.7 -3.5 11 11 A A H < S+ 0 0 8 -4,-2.0 -1,-0.2 18,-0.2 -2,-0.2 0.790 115.9 37.2 -70.2 -25.9 19.6 33.9 -3.9 12 12 A E H < S+ 0 0 133 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.879 122.7 39.8 -91.3 -45.5 18.0 33.1 -7.3 13 13 A T H < S+ 0 0 80 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.1 0.992 137.3 10.3 -68.8 -63.1 17.2 36.5 -8.5 14 14 A Y S >< S+ 0 0 145 -4,-1.2 3,-1.0 -5,-0.3 15,-0.4 -0.597 70.8 161.7-119.8 71.9 20.2 38.5 -7.4 15 15 A P T 3 S+ 0 0 28 0, 0.0 15,-1.3 0, 0.0 16,-0.4 0.661 73.5 56.2 -63.2 -17.3 22.7 35.8 -6.2 16 16 A Q T 3 S+ 0 0 135 12,-0.1 2,-0.2 -3,-0.1 -5,-0.1 0.662 80.5 98.8 -92.7 -17.2 25.6 38.3 -6.5 17 17 A T S < S- 0 0 52 -3,-1.0 12,-1.6 -7,-0.2 13,-0.3 -0.486 83.4-104.1 -70.9 138.9 24.3 41.0 -4.2 18 18 A D E +A 28 0A 28 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.326 35.6 177.3 -66.4 144.0 25.8 40.9 -0.7 19 19 A A E S+ 0 0 0 8,-3.6 193,-1.8 1,-0.3 2,-0.3 0.607 70.5 25.3-115.2 -24.6 23.7 39.6 2.2 20 20 A F E -Ab 27 212A 0 7,-1.8 7,-0.9 191,-0.2 2,-0.5 -0.961 55.9-176.7-150.4 125.5 26.2 39.8 5.0 21 21 A R E +Ab 26 213A 86 191,-3.5 193,-3.5 -2,-0.3 2,-0.3 -0.983 13.9 160.1-125.2 126.3 29.3 41.8 5.7 22 22 A S E > -A 25 0A 2 3,-2.4 3,-1.2 -2,-0.5 193,-0.1 -0.802 66.4 -30.5-150.8 105.0 31.5 41.3 8.8 23 23 A Q T 3 S- 0 0 93 191,-0.4 2,-0.7 -2,-0.3 3,-0.1 0.978 124.1 -38.5 52.8 73.0 35.1 42.4 9.2 24 24 A G T 3 S+ 0 0 89 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.079 119.2 106.4 72.0 -29.2 36.4 42.2 5.6 25 25 A Q E < -A 22 0A 109 -3,-1.2 -3,-2.4 -2,-0.7 2,-0.3 -0.555 47.8-174.8 -85.2 149.1 34.4 39.1 4.9 26 26 A S E -A 21 0A 62 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.864 11.6-162.8-135.4 170.8 31.3 39.1 2.8 27 27 A L E -A 20 0A 6 -7,-0.9 -8,-3.6 -2,-0.3 -7,-1.8 -0.934 12.8-141.3-159.1 129.4 28.6 36.6 1.7 28 28 A T E > -A 18 0A 11 -2,-0.3 4,-3.3 -10,-0.3 5,-0.3 -0.473 31.6-110.1 -88.9 164.3 26.1 36.8 -1.1 29 29 A Y H > S+ 0 0 0 -12,-1.6 4,-1.7 -15,-0.4 -18,-0.2 0.796 123.4 53.3 -63.7 -24.0 22.5 35.6 -0.9 30 30 A Q H > S+ 0 0 65 -15,-1.3 4,-2.0 -13,-0.3 -1,-0.2 0.915 112.1 41.9 -74.5 -44.6 23.7 32.8 -3.2 31 31 A E H > S+ 0 0 79 -16,-0.4 4,-2.9 2,-0.2 5,-0.4 0.922 115.2 50.8 -66.9 -45.8 26.5 31.8 -0.9 32 32 A L H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.910 113.4 45.9 -58.3 -43.9 24.4 32.2 2.2 33 33 A W H X S+ 0 0 21 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.850 116.4 42.7 -71.4 -34.9 21.7 30.0 0.7 34 34 A E H X S+ 0 0 99 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.888 116.2 46.9 -78.9 -40.8 23.9 27.2 -0.6 35 35 A Q H X S+ 0 0 32 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.933 112.2 49.8 -66.0 -44.8 26.1 27.0 2.4 36 36 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.4 -1,-0.2 0.882 110.3 52.9 -60.6 -36.2 23.1 27.0 4.8 37 37 A D H X S+ 0 0 24 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.941 109.8 47.1 -62.2 -48.3 21.8 24.3 2.5 38 38 A R H X S+ 0 0 82 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.912 112.2 50.9 -59.3 -44.2 25.0 22.3 2.9 39 39 A A H X S+ 0 0 3 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.943 105.8 54.1 -59.9 -50.8 24.9 22.9 6.7 40 40 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.924 111.6 46.4 -48.9 -49.6 21.3 21.7 7.1 41 41 A A H < S+ 0 0 14 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.863 112.7 47.8 -62.9 -41.0 22.3 18.4 5.3 42 42 A A H >< S+ 0 0 6 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.850 108.4 58.2 -69.9 -32.5 25.4 17.8 7.3 43 43 A I H >X S+ 0 0 0 -4,-2.9 3,-2.4 1,-0.2 4,-1.0 0.925 97.3 57.8 -62.9 -46.5 23.4 18.6 10.5 44 44 A Q T 3< S+ 0 0 76 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.645 100.6 59.8 -61.5 -12.8 20.9 15.8 10.0 45 45 A K T <4 S+ 0 0 138 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.541 108.4 44.6 -90.2 -8.5 23.8 13.3 9.9 46 46 A R T <4 S+ 0 0 101 -3,-2.4 2,-0.3 -4,-0.3 -2,-0.2 0.570 115.2 32.9-112.2 -13.4 24.8 14.3 13.4 47 47 A I S < S- 0 0 16 -4,-1.0 2,-0.2 55,-0.0 -1,-0.2 -0.982 82.6-101.3-143.1 154.6 21.6 14.5 15.5 48 48 A S - 0 0 53 -2,-0.3 3,-0.4 1,-0.1 5,-0.4 -0.513 11.3-153.3 -77.3 141.2 18.2 12.7 15.5 49 49 A G S S+ 0 0 59 1,-0.2 -1,-0.1 -2,-0.2 -5,-0.0 0.448 73.8 106.3 -87.5 -1.0 15.3 14.4 13.9 50 50 A E S S+ 0 0 178 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.886 93.4 10.1 -40.7 -52.5 13.2 12.3 16.3 51 51 A K S S- 0 0 104 -3,-0.4 2,-1.8 2,-0.0 -1,-0.1 -0.912 87.6-106.1-129.6 156.7 12.6 15.4 18.3 52 52 A K + 0 0 112 -2,-0.3 -3,-0.1 25,-0.1 93,-0.1 -0.462 49.2 178.7 -86.0 68.9 13.3 19.1 17.5 53 53 A S - 0 0 6 -2,-1.8 47,-0.1 -5,-0.4 46,-0.1 -0.440 30.6-106.0 -72.6 138.7 16.3 19.5 19.8 54 54 A P - 0 0 9 0, 0.0 47,-1.1 0, 0.0 48,-0.6 -0.226 23.2-145.6 -64.7 152.2 18.0 23.0 19.8 55 55 A I E -hi 79 102B 0 23,-1.8 25,-2.2 45,-0.2 2,-0.3 -0.984 13.8-136.6-121.9 119.2 21.4 23.5 18.2 56 56 A L E -hi 80 103B 0 46,-2.4 48,-3.0 -2,-0.5 2,-0.6 -0.602 12.0-157.7 -76.6 132.0 23.7 26.0 19.9 57 57 A V E -hi 81 104B 0 23,-2.3 25,-3.1 -2,-0.3 2,-0.4 -0.948 15.6-163.1-114.2 112.2 25.5 28.4 17.4 58 58 A Y E +hi 82 105B 45 46,-3.4 48,-1.9 -2,-0.6 2,-0.3 -0.835 39.0 57.6-107.7 130.2 28.6 29.7 19.1 59 59 A G E S-h 83 0B 4 23,-2.1 25,-1.1 -2,-0.4 26,-0.2 -0.985 72.8 -93.0 155.9-155.0 30.7 32.7 18.0 60 60 A H S S- 0 0 7 -2,-0.3 133,-0.5 23,-0.2 -1,-0.1 0.480 82.3 -35.9-118.9 -94.4 30.2 36.5 17.5 61 61 A M S S+ 0 0 3 131,-0.1 153,-0.1 4,-0.1 155,-0.1 -0.004 82.6 138.6-129.1 29.4 29.4 37.9 14.1 62 62 A E >> - 0 0 47 1,-0.1 3,-2.6 2,-0.0 4,-0.7 -0.399 68.7-106.2 -73.3 154.2 31.3 35.7 11.6 63 63 A P H 3> S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 3,-0.1 0.774 117.4 66.8 -50.2 -28.7 29.6 34.7 8.4 64 64 A H H 3> S+ 0 0 35 42,-0.3 4,-2.3 1,-0.2 5,-0.1 0.669 89.6 64.1 -70.6 -16.3 29.2 31.2 9.8 65 65 A M H <> S+ 0 0 1 -3,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.957 107.2 40.6 -70.4 -49.7 26.8 32.4 12.5 66 66 A I H X S+ 0 0 0 -4,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.873 115.5 52.6 -67.5 -33.9 24.2 33.4 10.0 67 67 A V H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.942 110.7 46.8 -65.3 -46.1 24.9 30.3 7.9 68 68 A S H X S+ 0 0 2 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.844 107.3 57.2 -65.1 -35.6 24.4 28.0 11.0 69 69 A F H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.969 114.1 38.7 -58.5 -51.8 21.2 29.8 11.9 70 70 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.839 114.0 55.1 -67.9 -34.5 19.7 29.0 8.5 71 71 A G H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 6,-0.2 0.942 107.7 50.5 -64.5 -44.9 21.3 25.6 8.5 72 72 A S H ><>S+ 0 0 0 -4,-3.1 5,-2.7 1,-0.2 3,-0.6 0.972 116.5 38.2 -55.8 -60.0 19.6 24.8 11.8 73 73 A V H ><5S+ 0 0 0 -4,-2.0 67,-1.7 1,-0.3 3,-1.4 0.841 113.3 55.2 -63.4 -35.9 16.1 25.8 10.8 74 74 A K H 3<5S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.804 108.2 51.4 -67.8 -22.9 16.4 24.5 7.2 75 75 A A T <<5S- 0 0 3 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.450 127.1-104.9 -89.1 -2.1 17.3 21.2 8.9 76 76 A G T < 5S+ 0 0 7 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.538 84.5 113.7 91.8 7.5 14.2 21.5 11.1 77 77 A H < - 0 0 6 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.881 62.8-126.4-115.5 144.9 15.9 22.5 14.3 78 78 A P - 0 0 3 0, 0.0 -23,-1.8 0, 0.0 2,-0.3 -0.528 28.0-133.8 -82.0 154.5 15.7 25.8 16.2 79 79 A Y E -hj 55 147B 5 67,-1.7 69,-2.0 -25,-0.2 -23,-0.2 -0.861 6.4-148.6-114.1 148.4 19.0 27.5 17.1 80 80 A I E -h 56 0B 1 -25,-2.2 -23,-2.3 -2,-0.3 2,-0.3 -0.942 23.2-140.8-110.8 104.3 20.2 29.0 20.4 81 81 A P E -h 57 0B 6 0, 0.0 2,-0.5 0, 0.0 69,-0.3 -0.503 20.0-170.2 -69.7 129.8 22.5 31.9 19.5 82 82 A V E -h 58 0B 1 -25,-3.1 -23,-2.1 -2,-0.3 2,-0.2 -0.951 7.9-149.8-126.9 114.5 25.5 32.0 21.9 83 83 A D E > -h 59 0B 4 -2,-0.5 3,-2.6 -25,-0.2 -23,-0.2 -0.499 26.8-114.9 -84.0 150.4 27.9 34.9 21.9 84 84 A L T 3 S+ 0 0 72 -25,-1.1 -24,-0.1 1,-0.3 -1,-0.1 0.718 113.1 66.5 -51.4 -24.2 31.6 34.7 22.9 85 85 A S T 3 S+ 0 0 59 -26,-0.2 386,-0.4 2,-0.1 -1,-0.3 0.616 76.9 95.7 -75.9 -14.5 30.8 36.9 25.9 86 86 A I S < S- 0 0 20 -3,-2.6 383,-0.0 384,-0.1 381,-0.0 -0.724 79.0-126.3 -83.1 117.7 28.7 34.2 27.5 87 87 A P >> - 0 0 20 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.183 19.7-103.1 -65.0 153.1 30.9 32.3 30.0 88 88 A S H 3> S+ 0 0 71 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.794 116.4 49.0 -41.1 -52.9 31.4 28.5 30.2 89 89 A E H 3> S+ 0 0 103 378,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.858 111.3 49.1 -63.3 -38.7 29.1 27.7 33.1 90 90 A R H <> S+ 0 0 19 377,-0.8 4,-2.7 -3,-0.7 -2,-0.2 0.942 111.9 49.7 -66.8 -44.4 26.2 29.7 31.8 91 91 A I H X S+ 0 0 2 -4,-2.4 4,-3.3 1,-0.3 -2,-0.2 0.924 109.7 51.7 -56.6 -44.9 26.7 27.9 28.4 92 92 A A H X S+ 0 0 39 -4,-2.6 4,-2.5 1,-0.2 -1,-0.3 0.867 109.2 50.4 -60.2 -37.0 26.7 24.7 30.4 93 93 A K H X S+ 0 0 94 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.928 111.8 47.5 -66.4 -44.4 23.5 25.8 32.0 94 94 A I H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 6,-0.3 0.929 112.1 48.6 -62.2 -48.1 21.9 26.5 28.7 95 95 A I H X>S+ 0 0 19 -4,-3.3 4,-1.6 1,-0.2 5,-0.8 0.968 111.1 53.8 -55.6 -52.2 23.1 23.3 27.2 96 96 A E H <5S+ 0 0 160 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.896 116.6 33.0 -47.3 -57.2 21.7 21.5 30.2 97 97 A S H <5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 114.3 57.1 -75.0 -35.4 18.1 22.9 30.1 98 98 A S H <5S- 0 0 9 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.747 94.9-134.4 -69.6 -25.1 17.7 23.2 26.3 99 99 A G T <5 + 0 0 42 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.712 41.7 174.3 75.8 19.8 18.4 19.5 25.7 100 100 A A < - 0 0 10 -5,-0.8 -1,-0.2 -6,-0.3 -45,-0.2 -0.320 24.0-173.8 -63.8 137.7 20.7 20.6 22.8 101 101 A E + 0 0 74 -47,-1.1 18,-0.4 1,-0.2 2,-0.3 0.289 65.8 48.9-117.2 9.9 22.7 17.9 21.1 102 102 A L E -i 55 0B 0 -48,-0.6 -46,-2.4 16,-0.1 2,-0.5 -0.949 51.9-173.2-155.3 130.2 24.8 20.0 18.8 103 103 A L E -ik 56 120B 2 16,-2.8 18,-2.2 -2,-0.3 2,-0.5 -0.990 11.2-163.3-123.9 123.3 27.0 23.1 19.2 104 104 A I E -ik 57 121B 0 -48,-3.0 -46,-3.4 -2,-0.5 2,-0.8 -0.929 5.0-156.4-108.1 122.3 28.5 24.7 16.1 105 105 A H E -ik 58 122B 9 16,-2.3 18,-1.4 -2,-0.5 2,-0.5 -0.879 20.3-133.6-105.7 106.8 31.4 27.1 16.6 106 106 A A S S+ 0 0 1 -48,-1.9 2,-0.3 -2,-0.8 -42,-0.3 0.457 86.0 14.6 -32.8 -7.2 31.6 29.4 13.7 107 107 A A S S- 0 0 48 -2,-0.5 2,-0.2 -49,-0.3 -49,-0.0 -0.986 99.7 -70.4-164.2 164.9 35.3 28.8 13.6 108 108 A G - 0 0 56 -2,-0.3 -2,-0.0 14,-0.1 13,-0.0 -0.464 59.2-125.0 -62.9 131.1 38.1 26.5 14.8 109 109 A L - 0 0 88 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.351 23.4-131.6 -60.0-160.6 38.5 27.2 18.5 110 110 A S > - 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0 0 20 -4,-1.0 -48,-0.2 -3,-0.2 -3,-0.1 0.789 28.5-175.5 70.3 26.8 27.4 53.4 3.7 235 235 A L < - 0 0 1 -5,-0.5 26,-0.2 1,-0.1 -48,-0.2 -0.191 24.1-172.9 -58.9 146.6 24.7 52.0 6.0 236 236 A N S S+ 0 0 27 -50,-2.6 27,-2.7 1,-0.2 28,-2.0 0.743 71.2 50.7-106.9 -41.6 21.1 53.2 5.5 237 237 A V E -de 187 264A 0 -51,-2.5 -49,-3.1 26,-0.2 2,-0.6 -0.906 66.2-162.3-109.0 120.4 19.4 51.6 8.5 238 238 A W E + e 0 265A 0 26,-3.3 28,-3.6 -2,-0.6 2,-0.5 -0.879 12.2 177.8-101.9 119.6 20.8 52.0 12.0 239 239 A T E + e 0 266A 2 -2,-0.6 -49,-0.7 26,-0.2 -48,-0.3 -0.973 24.7 107.6-124.8 121.0 19.6 49.5 14.6 240 240 A S E - e 0 267A 0 26,-1.8 28,-0.8 -2,-0.5 -2,-0.0 -0.985 66.8 -67.8-171.9 177.0 20.8 49.5 18.2 241 241 A T >> - 0 0 22 -2,-0.3 4,-1.6 26,-0.2 3,-0.5 -0.501 47.0-116.2 -76.8 150.6 20.1 50.2 21.8 242 242 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.928 116.1 61.0 -52.1 -43.5 19.8 53.9 22.7 243 243 A S H 3> S+ 0 0 24 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.887 101.8 51.1 -50.8 -45.0 22.9 53.5 24.9 244 244 A F H <> S+ 0 0 14 -3,-0.5 4,-1.4 1,-0.2 3,-0.4 0.928 112.5 43.2 -63.0 -46.1 25.0 52.5 21.9 245 245 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.807 110.1 59.4 -69.1 -27.3 24.1 55.5 19.7 246 246 A Q H < S+ 0 0 77 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.797 103.6 50.5 -70.0 -28.5 24.5 57.7 22.8 247 247 A M H < S+ 0 0 70 -4,-1.3 3,-0.4 -3,-0.4 -1,-0.2 0.843 112.8 46.6 -75.2 -35.0 28.1 56.6 23.1 248 248 A C H >< S+ 0 0 0 -4,-1.4 3,-2.2 1,-0.2 6,-0.3 0.899 105.5 57.7 -73.3 -40.6 28.6 57.4 19.5 249 249 A L T 3< S+ 0 0 14 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.601 87.1 81.3 -65.2 -8.5 26.9 60.8 19.8 250 250 A M T 3 S+ 0 0 140 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.626 86.0 69.0 -71.4 -12.5 29.5 61.5 22.4 251 251 A D S X S- 0 0 69 -3,-2.2 3,-1.1 1,-0.1 0, 0.0 -0.875 78.2-142.4-108.9 140.1 31.8 62.3 19.5 252 252 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.881 98.8 66.5 -66.2 -37.9 31.2 65.4 17.3 253 253 A G T 3 S+ 0 0 40 1,-0.1 2,-1.1 4,-0.1 5,-0.3 0.545 78.4 95.0 -61.9 -7.2 32.3 63.5 14.2 254 254 A F < + 0 0 0 -3,-1.1 2,-0.3 -6,-0.3 -1,-0.1 -0.741 62.8 93.1 -92.2 96.1 29.2 61.4 14.5 255 255 A S S >> S- 0 0 18 -2,-1.1 4,-1.8 27,-0.0 3,-1.2 -0.914 95.5 -57.1-162.7-175.1 26.6 63.0 12.3 256 256 A Q T 34 S+ 0 0 17 27,-3.5 6,-0.2 1,-0.3 28,-0.1 0.803 129.0 61.6 -46.1 -33.0 25.1 63.0 8.8 257 257 A D T 34 S+ 0 0 139 26,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.924 104.7 44.8 -61.8 -46.4 28.7 63.7 7.6 258 258 A L T <4 S+ 0 0 11 -3,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.910 127.3 29.7 -64.0 -44.9 30.0 60.4 9.0 259 259 A L S >< S+ 0 0 3 -4,-1.8 3,-1.4 1,-0.1 -1,-0.3 -0.743 71.2 171.1-118.9 79.1 27.0 58.4 7.7 260 260 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.761 80.6 45.4 -58.8 -30.0 25.9 60.3 4.5 261 261 A H T 3 S+ 0 0 116 -26,-0.2 2,-0.3 -3,-0.1 -4,-0.1 0.403 79.6 123.7 -97.4 1.1 23.5 57.5 3.6 262 262 A A < + 0 0 3 -3,-1.4 -26,-0.2 -6,-0.2 -25,-0.2 -0.467 20.1 150.7 -65.4 125.3 21.9 57.0 7.0 263 263 A D + 0 0 43 -27,-2.7 25,-2.0 -2,-0.3 2,-0.4 0.456 53.4 50.7-134.5 -6.6 18.2 57.5 6.6 264 264 A T E -ef 237 288A 1 -28,-2.0 -26,-3.3 23,-0.2 2,-0.6 -0.942 53.8-164.7-145.1 122.1 16.5 55.3 9.3 265 265 A F E -ef 238 289A 0 23,-2.6 25,-2.6 -2,-0.4 2,-0.6 -0.901 7.4-172.0-106.3 117.7 17.1 54.9 13.0 266 266 A M E +ef 239 290A 2 -28,-3.6 -26,-1.8 -2,-0.6 2,-0.4 -0.935 10.2 179.3-109.9 116.5 15.5 51.9 14.7 267 267 A F E +ef 240 291A 0 23,-1.8 25,-1.8 -2,-0.6 2,-0.3 -0.917 13.2 136.4-120.0 146.9 15.8 51.9 18.5 268 268 A C + 0 0 3 -28,-0.8 25,-0.2 -2,-0.4 33,-0.1 -0.965 37.4 67.5-173.2 165.5 14.5 49.3 21.0 269 269 A G S S+ 0 0 21 23,-0.5 2,-0.3 -2,-0.3 -28,-0.1 0.225 100.9 20.8 98.6 -17.7 15.5 47.5 24.1 270 270 A E S S- 0 0 32 134,-0.0 137,-0.0 132,-0.0 2,-0.0 -0.971 101.1 -55.2-171.0 166.6 15.6 50.4 26.6 271 271 A V - 0 0 113 -2,-0.3 -28,-0.1 1,-0.1 -3,-0.1 -0.293 47.7-139.5 -54.4 126.0 14.3 53.9 27.3 272 272 A L - 0 0 5 46,-0.1 46,-0.3 -30,-0.1 -1,-0.1 -0.797 24.6-129.3 -92.4 99.2 15.3 56.1 24.4 273 273 A P > - 0 0 36 0, 0.0 4,-1.7 0, 0.0 5,-0.2 -0.173 7.3-129.3 -50.3 132.6 16.3 59.4 26.1 274 274 A V H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.904 108.3 53.4 -49.9 -48.3 14.7 62.5 24.8 275 275 A S H > S+ 0 0 74 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.930 104.7 52.7 -55.1 -50.4 18.0 64.2 24.4 276 276 A V H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.866 110.8 50.6 -54.0 -35.1 19.5 61.4 22.4 277 277 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.891 109.1 49.6 -70.5 -41.3 16.5 61.8 20.1 278 278 A K H X S+ 0 0 103 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.965 109.9 50.0 -62.2 -53.8 17.0 65.6 19.8 279 279 A A H >X S+ 0 0 20 -4,-2.8 4,-3.0 1,-0.2 3,-0.9 0.940 108.1 53.7 -50.0 -53.9 20.7 65.3 18.9 280 280 A L H 3X S+ 0 0 1 -4,-1.9 4,-3.1 1,-0.3 -1,-0.2 0.912 106.5 52.0 -48.0 -49.9 19.9 62.7 16.2 281 281 A L H 3< S+ 0 0 35 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.828 114.9 43.7 -57.2 -33.3 17.3 65.0 14.6 282 282 A E H << S+ 0 0 151 -4,-1.7 -2,-0.2 -3,-0.9 -1,-0.2 0.906 120.7 36.5 -79.6 -45.1 20.0 67.7 14.5 283 283 A R H < S+ 0 0 69 -4,-3.0 -27,-3.5 1,-0.2 -26,-0.2 0.745 123.6 41.3 -82.2 -25.7 23.0 65.7 13.3 284 284 A F >< + 0 0 2 -4,-3.1 3,-1.5 -5,-0.4 -1,-0.2 -0.635 63.7 161.1-123.6 73.2 21.1 63.4 10.9 285 285 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.645 73.8 57.8 -65.3 -18.3 18.5 65.7 9.2 286 286 A K T 3 S+ 0 0 153 -24,-0.1 2,-0.4 -3,-0.1 -5,-0.1 0.372 98.0 76.0 -95.2 4.4 18.0 63.3 6.3 287 287 A A < - 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0 0 61 -2,-0.1 -1,-0.1 2,-0.1 8,-0.0 -0.028 46.7-116.6-113.8-141.5 37.7 33.4 55.4 450 450 A E + 0 0 173 -2,-0.1 -2,-0.1 0, 0.0 7,-0.0 0.276 61.1 131.0-147.8 3.2 41.5 33.8 55.6 451 451 A F - 0 0 62 1,-0.1 -2,-0.1 3,-0.0 3,-0.1 0.024 47.1-141.5 -57.7 170.0 42.3 36.4 52.9 452 452 A E S S+ 0 0 162 2,-0.0 -1,-0.1 1,-0.0 5,-0.1 0.779 71.9 22.8 -98.1 -91.5 44.5 39.5 53.6 453 453 A K S > S- 0 0 131 1,-0.1 4,-0.8 2,-0.0 5,-0.1 0.057 81.7-110.4 -67.2-176.5 43.3 42.7 51.9 454 454 A E H > S+ 0 0 119 2,-0.2 4,-3.1 1,-0.2 3,-0.3 0.883 115.5 59.5 -87.2 -43.4 39.8 43.4 50.8 455 455 A F H > S+ 0 0 133 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.521 100.3 66.9 -64.1 2.5 40.3 43.3 47.0 456 456 A Q H > S+ 0 0 59 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.934 107.4 32.5 -81.6 -59.6 41.4 39.8 48.0 457 457 A L H X S+ 0 0 7 -4,-0.8 4,-1.5 -3,-0.3 -2,-0.2 0.845 121.7 53.2 -64.5 -34.8 38.0 38.6 49.1 458 458 A T H X S+ 0 0 23 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.827 109.8 46.9 -70.5 -33.4 36.5 40.9 46.4 459 459 A S H X S+ 0 0 72 -4,-0.7 4,-2.7 -5,-0.3 -2,-0.2 0.881 107.8 54.8 -77.8 -38.0 38.6 39.4 43.7 460 460 A A H X S+ 0 0 22 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.898 111.6 45.9 -61.3 -40.0 38.0 35.8 44.6 461 461 A I H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 3,-0.4 0.955 114.2 45.5 -68.1 -52.2 34.2 36.4 44.4 462 462 A K H X S+ 0 0 63 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.905 107.6 58.3 -58.7 -42.2 34.3 38.2 41.1 463 463 A K H < S+ 0 0 160 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.880 109.2 47.1 -54.9 -37.9 36.6 35.6 39.6 464 464 A E H >X S+ 0 0 69 -4,-1.2 3,-2.0 -3,-0.4 4,-0.6 0.968 111.3 48.6 -66.1 -55.7 33.9 33.1 40.5 465 465 A L H >X S+ 0 0 5 -4,-2.4 4,-3.1 1,-0.3 3,-0.9 0.836 97.6 70.6 -54.0 -36.7 31.1 35.2 39.0 466 466 A A H 3< S+ 0 0 50 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.793 98.2 53.1 -52.1 -27.9 33.2 35.7 35.8 467 467 A A H <4 S+ 0 0 30 -3,-2.0 -378,-1.5 -4,-0.4 -377,-0.8 0.796 121.8 23.5 -80.6 -32.0 32.5 32.0 35.1 468 468 A S H << S+ 0 0 11 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.526 117.8 59.3-111.7 -11.1 28.7 31.9 35.4 469 469 A L S < S- 0 0 2 -4,-3.1 -1,-0.1 -5,-0.2 5,-0.1 -0.958 81.1-117.0-125.5 138.1 27.8 35.5 34.7 470 470 A P > - 0 0 1 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.327 40.9-104.5 -64.1 155.3 28.4 37.7 31.6 471 471 A A G > S+ 0 0 82 -386,-0.4 3,-1.9 1,-0.3 -385,-0.0 0.856 117.8 61.8 -50.3 -42.4 30.6 40.7 32.4 472 472 A Y G 3 S+ 0 0 55 1,-0.3 -1,-0.3 -68,-0.0 4,-0.1 0.541 103.2 53.3 -66.1 -2.2 27.8 43.2 32.4 473 473 A M G < S+ 0 0 1 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.385 82.0 99.1-110.9 -0.5 26.2 41.4 35.3 474 474 A I S < S- 0 0 37 -3,-1.9 -34,-0.2 -4,-0.3 -12,-0.0 -0.794 84.2-114.2 -88.8 116.2 29.2 41.4 37.6 475 475 A P - 0 0 0 0, 0.0 -34,-0.1 0, 0.0 -2,-0.1 -0.193 14.6-145.9 -52.2 137.1 28.7 44.2 40.1 476 476 A R S S+ 0 0 134 -36,-0.7 2,-0.4 1,-0.1 -35,-0.2 0.904 82.0 47.0 -70.0 -42.7 31.2 47.0 39.8 477 477 A K E -w 441 0F 101 -37,-2.1 -35,-3.3 2,-0.0 2,-0.5 -0.878 61.7-169.8-111.9 136.7 31.3 47.8 43.5 478 478 A F E +w 442 0F 18 -2,-0.4 2,-0.4 -37,-0.2 -35,-0.2 -0.979 12.0 169.6-122.7 118.0 31.7 45.4 46.4 479 479 A I E -w 443 0F 26 -37,-2.4 -35,-3.1 -2,-0.5 2,-0.3 -0.977 20.8-139.7-128.3 143.7 31.1 46.6 50.0 480 480 A Y E +w 444 0F 20 -2,-0.4 -35,-0.2 -37,-0.2 2,-0.2 -0.767 21.2 169.5-109.6 151.5 30.9 44.5 53.2 481 481 A Q - 0 0 26 -37,-2.3 3,-0.1 -2,-0.3 0, 0.0 -0.698 40.5-112.1-138.9-171.7 28.7 44.6 56.3 482 482 A D S S- 0 0 138 1,-0.4 2,-0.3 -2,-0.2 -37,-0.1 0.735 89.1 -12.1-101.3 -29.4 27.7 42.5 59.3 483 483 A H - 0 0 137 -39,-0.1 -1,-0.4 -58,-0.0 2,-0.4 -0.978 66.2-110.6-165.3 162.5 24.1 41.7 58.5 484 484 A I - 0 0 20 -2,-0.3 2,-1.4 -3,-0.1 -58,-0.0 -0.832 27.6-115.6-109.1 143.1 21.2 42.7 56.2 485 485 A Q - 0 0 49 -2,-0.4 8,-3.7 8,-0.2 2,-1.1 -0.576 33.0-169.6 -75.1 92.8 18.0 44.5 57.0 486 486 A M B -X 492 0G 118 -2,-1.4 6,-0.4 6,-0.3 4,-0.3 -0.721 12.1-178.4 -90.9 95.7 15.4 41.9 56.2 487 487 A T > + 0 0 74 -2,-1.1 3,-1.4 4,-0.9 4,-0.2 -0.124 55.7 47.5 -82.5-179.8 12.0 43.7 56.3 488 488 A A G > S- 0 0 70 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.862 137.7 -58.4 52.0 40.1 8.4 42.3 55.8 489 489 A N G 3 S- 0 0 182 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.789 132.5 -6.0 61.6 29.4 9.3 39.5 58.3 490 490 A G G < S+ 0 0 31 -3,-1.4 2,-0.9 -4,-0.3 -1,-0.2 -0.128 99.6 112.1 150.8 -47.1 12.1 38.5 56.0 491 491 A K S < S- 0 0 127 -3,-0.6 -4,-0.9 -5,-0.3 -1,-0.2 -0.434 70.2-125.3 -63.7 100.6 12.1 40.6 52.8 492 492 A I B -X 486 0G 30 -2,-0.9 2,-1.0 -6,-0.4 -6,-0.3 0.079 16.9-112.7 -43.0 153.0 15.2 42.7 53.1 493 493 A D > - 0 0 50 -8,-3.7 4,-1.7 1,-0.2 -8,-0.2 -0.789 33.7-179.9 -97.7 93.1 14.8 46.5 52.8 494 494 A R H > S+ 0 0 48 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.835 76.1 59.0 -60.6 -39.2 16.6 47.4 49.6 495 495 A K H > S+ 0 0 148 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 107.9 44.6 -59.4 -47.2 16.0 51.2 49.9 496 496 A R H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 110.0 54.1 -65.2 -45.6 17.8 51.5 53.2 497 497 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.872 108.2 52.0 -56.9 -38.6 20.8 49.3 52.1 498 498 A G H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.959 108.2 49.7 -62.7 -51.1 21.2 51.6 49.1 499 499 A E H X S+ 0 0 96 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.923 111.1 49.5 -52.8 -50.2 21.2 54.8 51.3 500 500 A E H X S+ 0 0 65 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.947 111.5 49.9 -55.1 -49.8 23.8 53.3 53.6 501 501 A V H X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.850 109.5 49.2 -60.5 -38.4 26.0 52.3 50.6 502 502 A L H < S+ 0 0 65 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.893 111.2 51.4 -70.3 -35.8 25.8 55.7 49.0 503 503 A V H >< S+ 0 0 75 -4,-2.4 3,-1.9 -5,-0.3 4,-0.5 0.937 108.2 51.3 -64.1 -44.0 26.8 57.3 52.3 504 504 A R H >< S+ 0 0 103 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.835 97.8 67.5 -62.2 -29.4 29.7 54.9 52.6 505 505 A S T 3< S+ 0 0 69 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.593 96.2 56.9 -67.0 -8.2 30.8 56.0 49.1 506 506 A H T < S+ 0 0 136 -3,-1.9 2,-0.9 -4,-0.3 -1,-0.3 0.625 91.2 78.8 -94.0 -18.3 31.5 59.4 50.7 507 507 A H < 0 0 136 -3,-1.4 -1,-0.1 -4,-0.5 -4,-0.0 -0.793 360.0 360.0 -98.0 98.2 33.9 58.0 53.2 508 508 A H 0 0 223 -2,-0.9 -2,-0.1 -3,-0.0 -3,-0.0 -0.104 360.0 360.0 -75.3 360.0 37.3 57.3 51.5