==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-MAR-12 4E51 . COMPND 2 MOLECULE: HISTIDINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 814 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 41 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.8 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 5 2 2 0 0 8 0 0 0 0 0 6 2 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 . 2 0 4 4 4 0 4 0 0 2 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 2 0 2 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 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 9 A E 0 0 105 0, 0.0 693,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 116.2 35.0 7.2 26.4 2 10 A K - 0 0 155 691,-0.2 2,-0.3 1,-0.1 691,-0.2 -0.317 360.0-147.8 -65.6 143.7 31.4 5.9 27.0 3 11 A L - 0 0 33 689,-0.6 2,-0.3 501,-0.1 505,-0.1 -0.770 9.5-147.1-108.6 154.9 29.9 6.0 30.5 4 12 A T - 0 0 79 -2,-0.3 462,-0.4 503,-0.0 2,-0.2 -0.876 21.1-100.1-126.0 159.6 27.4 3.6 32.0 5 13 A G - 0 0 11 -2,-0.3 4,-0.1 1,-0.1 3,-0.1 -0.498 57.0 -84.5 -72.7 137.8 24.5 3.7 34.4 6 14 A V > - 0 0 13 458,-0.3 3,-1.7 -2,-0.2 -1,-0.1 -0.118 56.6 -99.9 -36.1 129.6 25.3 2.5 37.9 7 15 A K T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.391 110.2 23.3 -60.2 135.9 24.8 -1.3 37.9 8 16 A G T 3 S+ 0 0 22 -3,-0.1 113,-2.8 112,-0.1 112,-1.3 0.531 100.9 98.4 84.1 7.6 21.4 -2.2 39.4 9 17 A M < - 0 0 5 -3,-1.7 2,-0.1 111,-0.2 -1,-0.1 -0.829 62.5-163.5-126.8 88.8 20.0 1.2 38.6 10 18 A N - 0 0 89 -2,-0.4 2,-0.2 111,-0.4 -4,-0.0 -0.372 15.9-126.6 -77.2 147.5 18.0 0.8 35.3 11 19 A D - 0 0 15 -2,-0.1 2,-0.6 450,-0.1 450,-0.2 -0.623 18.2-137.5 -79.4 151.7 16.8 3.5 33.0 12 20 A I B -A 460 0A 11 448,-2.8 448,-3.0 -2,-0.2 5,-0.0 -0.978 28.5-164.2-111.1 118.8 13.1 3.4 32.1 13 21 A L >> - 0 0 11 -2,-0.6 3,-1.8 446,-0.2 4,-1.4 -0.524 35.5 -95.4-105.1 167.0 12.8 4.0 28.4 14 22 A P H >> S+ 0 0 24 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.871 121.8 59.5 -50.8 -41.1 9.9 5.0 26.2 15 23 A Q H 34 S+ 0 0 165 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 0.790 114.3 37.0 -55.9 -29.1 9.3 1.3 25.3 16 24 A D H X> S+ 0 0 46 -3,-1.8 4,-1.5 442,-0.2 3,-0.7 0.621 95.8 86.3 -94.6 -17.8 8.7 0.5 29.0 17 25 A A H S+ 0 0 10 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.922 112.4 44.2 -66.8 -43.6 3.7 -0.2 31.3 20 28 A W H X S+ 0 0 15 -4,-1.5 4,-3.0 1,-0.2 5,-0.2 0.898 112.0 53.9 -63.0 -38.9 4.7 2.0 34.2 21 29 A E H X S+ 0 0 78 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.889 107.0 50.6 -65.6 -38.6 2.0 4.5 33.3 22 30 A F H X S+ 0 0 61 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.907 113.6 45.5 -61.5 -44.2 -0.7 1.8 33.4 23 31 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.965 114.1 47.4 -67.7 -52.8 0.5 0.7 36.8 24 32 A E H X S+ 0 0 26 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.939 113.7 47.6 -55.4 -49.0 0.8 4.2 38.2 25 33 A A H X S+ 0 0 61 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.947 113.1 49.5 -58.6 -46.6 -2.7 5.2 36.8 26 34 A T H X S+ 0 0 21 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.939 115.5 40.0 -61.1 -49.3 -4.3 2.0 38.2 27 35 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.884 112.8 55.2 -69.8 -37.4 -2.9 2.2 41.7 28 36 A K H X S+ 0 0 53 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.887 108.7 49.2 -65.4 -34.8 -3.4 6.0 42.0 29 37 A S H X S+ 0 0 59 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.897 111.0 49.5 -66.4 -41.3 -7.0 5.6 41.1 30 38 A L H X S+ 0 0 3 -4,-1.7 4,-0.6 -5,-0.2 -2,-0.2 0.902 108.6 54.1 -64.1 -39.1 -7.4 2.9 43.7 31 39 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-1.3 0.925 108.3 47.5 -65.1 -48.2 -5.7 5.0 46.3 32 40 A R H ><5S+ 0 0 137 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.898 103.1 65.4 -52.6 -42.9 -8.1 7.9 45.8 33 41 A A H 3<5S+ 0 0 10 -4,-1.9 721,-2.6 1,-0.3 -1,-0.2 0.662 107.3 40.4 -61.4 -16.4 -10.9 5.4 46.0 34 42 A Y T <<5S- 0 0 0 -3,-1.3 -1,-0.3 -4,-0.6 722,-0.3 0.362 118.8-106.5-109.0 -1.0 -10.1 4.8 49.6 35 43 A G T < 5 + 0 0 12 -3,-1.8 68,-0.3 -4,-0.5 -3,-0.2 0.592 65.4 152.7 89.0 12.3 -9.4 8.4 50.6 36 44 A Y < - 0 0 5 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.3 -0.471 28.9-152.3 -77.7 146.4 -5.6 8.1 50.8 37 45 A Q E -b 104 0B 101 66,-2.3 68,-1.9 -2,-0.1 398,-0.1 -0.955 17.9-100.7-132.3 143.6 -3.6 11.2 50.1 38 46 A N E +b 105 0B 5 -2,-0.4 2,-0.3 66,-0.2 399,-0.3 -0.248 32.8 176.4 -71.0 138.7 -0.2 11.8 48.7 39 47 A I - 0 0 1 66,-2.1 2,-0.5 394,-0.2 68,-0.2 -0.984 10.1-163.7-132.5 137.3 2.9 12.7 50.8 40 48 A R B -I 432 0C 52 392,-3.0 392,-3.0 -2,-0.3 66,-0.1 -0.965 6.8-174.8-127.2 115.4 6.3 13.0 49.3 41 49 A T - 0 0 8 -2,-0.5 389,-0.1 390,-0.2 390,-0.1 -0.531 35.1 -83.1-101.3 166.6 9.4 12.9 51.4 42 50 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 -0.231 26.3-119.4 -73.2 166.8 13.0 13.5 50.2 43 51 A I S S+ 0 0 4 36,-0.1 37,-2.7 67,-0.0 2,-0.3 0.813 100.4 44.0 -69.9 -31.7 15.3 11.1 48.6 44 52 A V E +J 79 0D 0 35,-0.2 382,-0.3 382,-0.0 2,-0.3 -0.883 63.1 171.5-116.3 149.4 17.8 11.6 51.5 45 53 A E E -J 78 0D 0 33,-1.8 33,-2.1 -2,-0.3 2,-0.2 -0.916 48.5 -72.9-138.9 168.6 17.3 11.8 55.2 46 54 A H E >> -J 77 0D 41 378,-0.5 3,-1.8 -2,-0.3 4,-0.5 -0.467 45.7-124.7 -65.3 135.3 19.6 11.9 58.2 47 55 A T H >> S+ 0 0 22 29,-1.7 4,-1.7 1,-0.3 3,-1.0 0.812 104.9 66.8 -56.4 -36.8 21.1 8.5 58.7 48 56 A P H 3> S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.819 88.9 69.0 -58.0 -27.6 20.0 8.1 62.3 49 57 A L H <> S+ 0 0 2 -3,-1.8 4,-1.8 1,-0.2 5,-0.2 0.903 106.6 38.0 -52.7 -43.4 16.3 8.0 61.0 50 58 A F H S+ 0 0 0 -3,-1.0 4,-1.9 -4,-0.5 5,-1.1 0.820 111.9 57.4 -81.0 -32.0 17.0 4.6 59.4 51 59 A T H <5S+ 0 0 39 -4,-1.7 5,-0.5 3,-0.2 4,-0.3 0.862 118.4 32.4 -65.8 -35.0 19.2 3.3 62.2 52 60 A R H <5S+ 0 0 64 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.753 123.1 45.6 -93.1 -32.9 16.5 3.8 64.8 53 61 A G H <5S+ 0 0 2 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.939 125.9 26.3 -74.3 -50.6 13.5 3.1 62.7 54 62 A I T <5S- 0 0 0 -4,-1.9 204,-2.4 -5,-0.2 -3,-0.2 0.871 114.1-113.2 -90.6 -41.6 14.6 -0.0 60.9 55 63 A G > < - 0 0 6 -5,-1.1 3,-2.2 -4,-0.3 6,-0.5 0.324 3.3-112.7 112.6 133.6 17.0 -1.3 63.5 56 64 A E T 3 S+ 0 0 112 -5,-0.5 -1,-0.1 1,-0.3 -4,-0.1 0.710 112.3 63.0 -64.0 -24.9 20.7 -1.9 64.0 57 65 A V T 3 S+ 0 0 53 141,-0.1 -1,-0.3 4,-0.1 2,-0.3 0.457 88.6 95.8 -79.0 -1.6 20.1 -5.7 64.1 58 66 A T S <> S- 0 0 7 -3,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.664 76.9-129.4 -99.0 148.3 18.8 -5.8 60.4 59 67 A D H >>S+ 0 0 74 -2,-0.3 4,-1.6 1,-0.2 5,-1.3 0.813 107.6 60.4 -55.4 -37.2 20.6 -6.6 57.2 60 68 A I H >>S+ 0 0 8 196,-0.4 4,-1.3 3,-0.2 5,-0.6 0.981 112.3 34.7 -56.4 -58.6 19.2 -3.4 55.7 61 69 A V H 45S+ 0 0 17 -6,-0.5 4,-0.2 3,-0.2 -2,-0.2 0.863 127.0 40.4 -68.8 -35.4 20.8 -1.0 58.2 62 70 A E H <5S+ 0 0 153 -4,-2.4 -3,-0.2 -7,-0.2 -2,-0.2 0.991 134.3 8.3 -75.3 -66.2 24.0 -3.1 58.6 63 71 A K H <5S+ 0 0 76 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.664 124.3 50.4 -94.9 -19.6 24.9 -4.3 55.1 64 72 A E T < - 0 0 4 5,-2.8 4,-1.7 -2,-0.4 411,-0.1 -0.511 21.7-142.6 -67.6 126.3 27.9 16.0 53.4 71 79 A A T 4 S+ 0 0 87 -2,-0.3 3,-0.2 411,-0.2 -1,-0.1 0.977 90.8 30.8 -52.3 -70.6 31.1 17.9 52.6 72 80 A L T 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.783 132.7 30.5 -68.3 -34.0 30.3 21.5 53.6 73 81 A N T 4 S- 0 0 59 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.584 89.4-135.3-103.7 -17.2 27.9 20.7 56.5 74 82 A G < + 0 0 42 -4,-1.7 2,-0.3 1,-0.2 -3,-0.1 0.816 48.1 157.1 55.5 27.1 29.2 17.4 57.8 75 83 A E - 0 0 42 -5,-0.1 -5,-2.8 1,-0.0 2,-0.6 -0.701 44.9-124.3 -70.7 134.4 25.5 16.2 58.0 76 84 A N E - K 0 69D 92 -2,-0.3 -29,-1.7 -7,-0.2 2,-0.3 -0.750 38.9-175.4 -81.8 122.3 25.3 12.3 57.9 77 85 A L E -JK 46 68D 0 -9,-2.7 -9,-2.8 -2,-0.6 2,-0.3 -0.881 17.6-172.5-127.4 150.0 23.0 11.3 55.0 78 86 A T E -JK 45 67D 0 -33,-2.1 -33,-1.8 -2,-0.3 2,-0.5 -0.998 30.1-119.6-141.0 136.0 21.5 8.2 53.6 79 87 A L E -J 44 0D 0 -13,-2.4 -13,-0.5 -2,-0.3 -35,-0.2 -0.691 53.2 -98.2 -70.4 126.9 19.5 7.5 50.4 80 88 A R - 0 0 12 -37,-2.7 31,-2.2 -2,-0.5 3,-0.1 -0.206 35.7-172.2 -54.2 129.0 16.1 6.2 51.6 81 89 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.411 77.3 1.1 -91.4 -0.0 15.9 2.4 51.6 82 90 A E - 0 0 0 27,-0.1 4,-0.1 42,-0.0 29,-0.1 -0.916 64.6-132.6 179.9 162.2 12.3 2.6 52.5 83 91 A N S > S+ 0 0 2 -2,-0.3 4,-2.0 741,-0.2 5,-0.2 0.586 79.4 85.3-121.9 -11.6 9.6 5.2 53.2 84 92 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 94.6 45.8 -59.0 -46.3 7.7 4.3 56.4 85 93 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.869 111.8 52.0 -66.2 -36.1 10.2 6.0 58.8 86 94 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.850 108.5 51.2 -68.4 -33.6 10.4 9.1 56.7 87 95 A V H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.970 111.0 48.3 -66.9 -48.7 6.5 9.4 56.7 88 96 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.911 110.2 53.4 -52.3 -45.6 6.6 9.1 60.4 89 97 A R H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.890 112.3 42.7 -58.4 -44.6 9.4 11.7 60.5 90 98 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 6,-0.3 0.900 111.1 55.8 -69.9 -38.5 7.3 14.2 58.4 91 99 A A H <>S+ 0 0 5 -4,-3.4 5,-2.1 1,-0.2 6,-0.5 0.913 115.5 38.7 -60.5 -40.9 4.1 13.4 60.4 92 100 A I H ><5S+ 0 0 31 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.935 116.0 50.5 -73.9 -49.1 5.9 14.3 63.6 93 101 A E H 3<5S+ 0 0 75 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.884 119.2 36.7 -59.6 -37.8 7.8 17.2 62.2 94 102 A H T 3<5S- 0 0 81 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.337 104.9-120.4-102.6 8.5 4.7 18.8 60.7 95 103 A N T X 5 + 0 0 122 -3,-0.9 3,-1.3 -4,-0.4 4,-0.3 0.868 51.4 162.2 61.4 41.2 2.2 18.0 63.4 96 104 A M T 3 < + 0 0 17 -5,-2.1 3,-0.4 -6,-0.3 -4,-0.1 0.766 65.2 56.7 -67.2 -25.5 0.0 16.0 61.0 97 105 A L T > S+ 0 0 44 -6,-0.5 3,-1.2 1,-0.2 -1,-0.2 0.375 74.6 101.2 -92.1 9.3 -1.9 14.1 63.7 98 106 A Y T < S+ 0 0 78 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.918 91.6 34.8 -56.5 -48.0 -3.2 17.2 65.5 99 107 A D T 3 S- 0 0 102 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.218 129.4 -76.2 -99.9 13.9 -6.6 16.9 64.0 100 108 A G S < S- 0 0 14 -3,-1.2 -1,-0.3 2,-0.0 30,-0.0 -0.657 71.2 -22.7 128.3-177.0 -6.8 13.1 63.8 101 109 A P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.094 56.2-143.6 -64.2 164.1 -5.5 10.0 62.0 102 110 A K E - C 0 130B 38 28,-2.5 28,-2.8 2,-0.0 2,-0.7 -0.998 11.8-146.1-139.6 134.5 -4.3 10.2 58.4 103 111 A R E - C 0 129B 24 -2,-0.4 -66,-2.3 -68,-0.3 2,-0.3 -0.882 34.1-179.2 -98.3 108.3 -4.4 8.0 55.3 104 112 A L E -bC 37 128B 1 24,-3.0 24,-2.8 -2,-0.7 2,-0.3 -0.846 15.1-175.7-116.5 140.9 -1.2 8.5 53.4 105 113 A W E -bC 38 127B 18 -68,-1.9 -66,-2.1 -2,-0.3 2,-0.3 -0.964 3.9-176.7-128.5 156.9 0.4 7.1 50.1 106 114 A Y E - C 0 126B 1 20,-2.6 20,-2.7 -2,-0.3 2,-0.3 -0.979 7.8-170.2-145.9 155.2 3.7 7.5 48.5 107 115 A I E + C 0 125B 45 -2,-0.3 18,-0.2 18,-0.2 -2,-0.0 -0.966 34.5 92.3-147.5 134.8 5.5 6.5 45.3 108 116 A G E - C 0 124B 10 16,-2.3 16,-2.4 -2,-0.3 2,-0.2 -0.979 65.5 -46.7 166.4-179.9 9.1 6.8 44.3 109 117 A P E - C 0 123B 20 0, 0.0 2,-0.3 0, 0.0 14,-0.3 -0.511 41.3-171.9 -80.8 146.5 12.6 5.3 44.2 110 118 A M E - C 0 122B 0 12,-3.2 12,-2.5 -2,-0.2 2,-0.4 -0.880 14.2-132.7-129.5 163.2 14.3 3.6 47.0 111 119 A F E + C 0 121B 0 -31,-2.2 2,-0.3 -2,-0.3 -45,-0.2 -0.957 27.9 154.2-133.1 134.9 18.0 2.3 47.4 112 120 A R - 0 0 23 8,-2.3 2,-1.1 -2,-0.4 -47,-0.2 -0.917 37.8-137.1-160.5 129.5 19.6 -0.9 48.6 113 121 A H + 0 0 45 -49,-2.1 2,-0.3 -2,-0.3 7,-0.1 -0.763 47.4 167.5 -80.6 98.2 22.8 -2.9 48.1 114 122 A E - 0 0 112 -2,-1.1 -2,-0.1 4,-0.0 6,-0.0 -0.778 40.6-113.8-113.1 158.9 21.3 -6.3 47.8 115 123 A R 0 0 92 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.702 360.0 360.0 -79.9 143.1 22.6 -9.8 46.8 116 124 A P 0 0 161 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.971 360.0 360.0 -84.3 360.0 20.9 -11.0 43.5 117 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 118 128 A R 0 0 104 0, 0.0 2,-0.6 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 -14.9 18.3 -7.5 41.3 119 129 A Y + 0 0 63 1,-0.2 -110,-0.2 -3,-0.1 3,-0.1 -0.795 360.0 175.6-108.8 115.8 17.7 -3.8 41.8 120 130 A R S S+ 0 0 12 -112,-1.3 -8,-2.3 -2,-0.6 2,-0.5 0.822 92.5 40.7 -80.0 -35.3 19.9 -1.4 43.8 121 131 A Q E S+C 111 0B 8 -113,-2.8 -111,-0.4 -10,-0.2 2,-0.3 -0.985 85.8 155.8-102.7 126.0 17.6 1.5 42.7 122 132 A F E -C 110 0B 22 -12,-2.5 -12,-3.2 -2,-0.5 2,-0.4 -0.877 34.3-117.5-140.3 175.0 14.0 0.2 42.8 123 133 A H E -C 109 0B 22 -2,-0.3 179,-2.8 -14,-0.3 180,-0.4 -0.941 21.1-171.0-125.6 140.9 10.5 1.7 43.1 124 134 A Q E -CD 108 301B 6 -16,-2.4 -16,-2.3 -2,-0.4 2,-0.4 -0.939 13.4-164.4-123.7 145.5 7.8 1.4 45.7 125 135 A V E +CD 107 300B 0 175,-1.3 175,-2.2 -2,-0.4 2,-0.3 -0.976 33.1 160.1-113.9 142.8 4.3 2.5 46.0 126 136 A G E -CD 106 299B 0 -20,-2.7 -20,-2.6 -2,-0.4 2,-0.3 -0.989 30.5-139.9-158.1 166.1 3.0 2.3 49.5 127 137 A V E -CD 105 298B 0 171,-2.6 171,-2.0 -2,-0.3 2,-0.4 -0.935 5.0-163.8-127.4 149.1 0.5 3.4 52.1 128 138 A E E -CD 104 297B 0 -24,-2.8 -24,-3.0 -2,-0.3 2,-0.8 -0.987 6.8-160.3-129.9 126.0 0.6 4.4 55.8 129 139 A A E > -CD 103 296B 0 167,-3.9 167,-1.7 -2,-0.4 3,-0.6 -0.903 23.8-163.9-100.1 98.3 -2.5 4.5 57.9 130 140 A L E 3 +CD 102 295B 0 -28,-2.8 -28,-2.5 -2,-0.8 165,-0.2 -0.772 62.9 12.7 -95.2 128.4 -1.3 6.8 60.7 131 141 A G T 3 S+ 0 0 10 163,-2.8 2,-0.5 -2,-0.5 164,-0.2 0.449 88.9 121.7 92.6 3.4 -3.2 6.9 64.0 132 142 A F < - 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0 0 10 -5,-1.3 -1,-0.3 -6,-0.3 2,-0.3 -0.483 25.1-177.1 -75.6 136.9 -3.3 -10.5 38.0 155 165 A T + 0 0 129 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 -0.798 55.8 46.0-127.2 167.1 -4.5 -13.7 39.5 156 166 A G + 0 0 41 -2,-0.3 114,-0.8 1,-0.3 2,-0.5 0.864 67.8 136.8 63.2 36.8 -2.9 -16.2 41.8 157 167 A I E -E 269 0B 19 -3,-0.2 2,-0.4 112,-0.2 -1,-0.3 -0.959 39.4-157.8-106.5 133.3 -1.4 -13.8 44.2 158 168 A K E -E 268 0B 122 110,-2.8 110,-2.7 -2,-0.5 2,-0.5 -0.890 10.2-131.3-123.0 146.8 -2.0 -15.1 47.7 159 169 A L E -Ef 267 247B 1 87,-0.5 89,-1.9 -2,-0.4 2,-0.4 -0.804 19.3-176.2 -99.3 128.8 -2.1 -13.4 51.1 160 170 A E E -Ef 266 248B 44 106,-2.8 106,-2.7 -2,-0.5 2,-0.3 -0.988 8.7-171.8-118.2 139.3 -0.3 -14.7 54.1 161 171 A I E +Ef 265 249B 0 87,-2.2 89,-2.6 -2,-0.4 2,-0.3 -0.779 9.6 166.8-122.7 167.9 -0.6 -13.1 57.5 162 172 A N E -E 264 0B 1 102,-1.9 102,-3.0 -2,-0.3 2,-0.4 -0.963 25.9-127.0-169.5 160.4 1.0 -13.4 60.9 163 173 A S E -E 263 0B 2 -2,-0.3 100,-0.2 100,-0.2 3,-0.1 -0.965 9.8-170.6-119.4 141.7 1.3 -11.6 64.2 164 174 A L - 0 0 15 98,-2.4 6,-0.2 -2,-0.4 99,-0.1 0.217 36.0-158.2-102.2 4.6 4.4 -10.5 66.0 165 175 A G - 0 0 0 97,-0.2 97,-2.6 96,-0.1 -1,-0.3 -0.063 36.9 -42.5 51.0-151.5 2.3 -9.6 69.0 166 176 A L > - 0 0 49 95,-0.2 4,-2.6 -3,-0.1 5,-0.2 -0.507 63.6 -92.9-101.9 173.2 3.7 -7.1 71.5 167 177 A A H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.901 122.7 48.5 -53.4 -50.5 7.3 -6.9 72.9 168 178 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.855 113.3 48.3 -59.8 -38.9 6.8 -9.1 76.1 169 179 A E H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 110.7 50.8 -72.4 -38.7 5.1 -11.7 74.0 170 180 A R H X S+ 0 0 61 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.923 110.4 51.0 -57.4 -44.3 8.0 -11.6 71.5 171 181 A A H X S+ 0 0 55 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.918 110.4 46.8 -65.4 -45.1 10.4 -12.0 74.4 172 182 A A H X S+ 0 0 43 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.922 114.8 47.4 -60.9 -45.6 8.6 -15.0 75.8 173 183 A H H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.923 106.5 58.2 -60.8 -46.6 8.4 -16.6 72.4 174 184 A R H X S+ 0 0 32 -4,-3.2 4,-3.1 1,-0.2 5,-0.3 0.937 102.4 55.5 -49.8 -51.1 12.1 -15.8 71.8 175 185 A V H X S+ 0 0 88 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.925 111.5 40.6 -48.5 -56.6 13.1 -17.8 74.8 176 186 A E H X S+ 0 0 99 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.795 114.1 54.4 -70.2 -25.9 11.3 -21.1 73.7 177 187 A L H X S+ 0 0 0 -4,-2.2 4,-3.5 -3,-0.2 -1,-0.2 0.933 111.3 43.7 -70.5 -46.0 12.4 -20.6 70.2 178 188 A I H X S+ 0 0 35 -4,-3.1 4,-3.5 2,-0.2 5,-0.2 0.954 113.4 51.1 -63.9 -48.7 16.0 -20.3 71.2 179 189 A K H X S+ 0 0 44 -4,-2.9 4,-0.9 -5,-0.3 -1,-0.2 0.903 116.2 44.0 -52.4 -40.8 15.6 -23.3 73.6 180 190 A Y H >< S+ 0 0 39 -4,-2.2 3,-0.6 -5,-0.2 4,-0.4 0.926 113.9 46.7 -69.4 -49.0 14.1 -25.2 70.7 181 191 A L H >< S+ 0 0 1 -4,-3.5 3,-2.5 1,-0.2 -2,-0.2 0.919 103.9 63.6 -64.6 -40.6 16.6 -24.2 68.1 182 192 A E H >< S+ 0 0 90 -4,-3.5 3,-1.5 1,-0.3 -1,-0.2 0.831 92.2 66.4 -49.0 -36.6 19.5 -25.0 70.5 183 193 A Q T << S+ 0 0 147 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.731 109.0 37.2 -56.1 -24.0 18.3 -28.6 70.4 184 194 A H T X> S+ 0 0 53 -3,-2.5 3,-1.6 -4,-0.4 4,-0.6 -0.022 72.1 125.2-122.7 29.9 19.4 -28.8 66.8 185 195 A A G X4 + 0 0 47 -3,-1.5 3,-1.0 1,-0.3 -1,-0.1 0.845 69.1 67.1 -61.8 -32.0 22.5 -26.7 66.7 186 196 A D G 34 S+ 0 0 152 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.772 107.5 39.9 -56.2 -28.1 24.3 -29.7 65.2 187 197 A K G <4 S+ 0 0 43 -3,-1.6 -1,-0.2 2,-0.0 2,-0.2 0.427 89.5 111.3-102.9 -1.5 22.2 -29.2 62.0 188 198 A L << - 0 0 16 -3,-1.0 -3,-0.0 -4,-0.6 -7,-0.0 -0.520 62.2-133.6 -72.9 140.5 22.2 -25.3 61.8 189 199 A D > - 0 0 40 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.114 31.8 -94.8 -77.7-176.3 24.1 -23.7 59.0 190 200 A D H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.845 125.0 52.4 -73.7 -34.0 26.5 -20.8 59.5 191 201 A D H > S+ 0 0 66 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 110.7 49.1 -65.5 -41.4 23.8 -18.1 58.6 192 202 A A H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.928 108.8 52.3 -65.1 -45.5 21.5 -19.7 61.2 193 203 A Q H X S+ 0 0 106 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.918 107.1 52.4 -53.9 -47.7 24.2 -19.8 63.9 194 204 A R H < S+ 0 0 73 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.905 117.8 37.9 -55.4 -43.1 25.0 -16.0 63.4 195 205 A R H >X S+ 0 0 65 -4,-1.6 4,-1.7 1,-0.2 3,-1.0 0.604 91.3 92.3 -86.3 -14.0 21.3 -15.2 63.8 196 206 A L H 3< S+ 0 0 5 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.1 0.883 98.0 28.0 -54.0 -52.8 20.4 -17.7 66.6 197 207 A Y T 3< S+ 0 0 143 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 0.384 128.8 41.2 -91.0 2.2 21.0 -15.4 69.6 198 208 A T T <4 S- 0 0 101 -3,-1.0 -2,-0.2 -4,-0.1 -3,-0.1 0.775 134.4 -1.7-116.2 -50.9 20.3 -12.0 67.9 199 209 A N >< + 0 0 34 -4,-1.7 3,-1.0 -5,-0.1 4,-0.3 -0.608 66.1 167.4-139.8 78.3 17.2 -12.4 65.6 200 210 A P T >> S+ 0 0 14 0, 0.0 3,-1.5 0, 0.0 4,-0.9 0.762 71.6 70.4 -64.3 -26.7 16.1 -16.0 65.8 201 211 A L H >> S+ 0 0 35 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.875 92.0 59.8 -56.9 -36.3 12.8 -15.3 64.1 202 212 A R H <4 S+ 0 0 17 -3,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.680 94.3 65.0 -67.0 -16.6 14.9 -14.7 60.9 203 213 A V H X4 S+ 0 0 6 -3,-1.5 3,-2.1 -4,-0.3 -1,-0.2 0.883 92.4 61.4 -70.0 -35.6 16.0 -18.4 61.3 204 214 A L H << S+ 0 0 7 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.789 94.1 63.6 -58.8 -31.7 12.5 -19.6 60.7 205 215 A D T 3< S+ 0 0 109 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.548 80.5 144.6 -66.6 -7.5 12.6 -17.9 57.3 206 216 A T < - 0 0 25 -3,-2.1 -3,-0.1 1,-0.1 9,-0.0 0.090 41.5-165.5 -47.2 140.3 15.4 -20.4 56.3 207 217 A K + 0 0 94 3,-0.0 -1,-0.1 4,-0.0 5,-0.1 0.656 52.6 121.8 -92.9 -23.9 15.7 -21.7 52.7 208 218 A N > - 0 0 54 1,-0.1 3,-1.4 3,-0.1 4,-0.3 -0.184 62.6-140.0 -45.2 117.9 18.2 -24.5 53.8 209 219 A P G > S+ 0 0 112 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.804 97.1 53.3 -50.9 -42.0 16.6 -27.9 52.9 210 220 A A G 3 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.1 -2,-0.1 0.566 105.0 56.5 -74.6 -12.0 17.6 -29.7 56.1 211 221 A L G <> S+ 0 0 2 -3,-1.4 4,-3.2 1,-0.1 5,-0.3 0.497 81.4 89.3 -96.3 -4.3 16.0 -27.1 58.4 212 222 A Q H <> S+ 0 0 50 -3,-0.9 4,-2.7 -4,-0.3 5,-0.2 0.943 87.8 44.3 -68.6 -51.3 12.5 -27.2 57.0 213 223 A E H > S+ 0 0 163 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.852 117.4 50.2 -61.1 -34.0 11.0 -29.9 59.2 214 224 A I H >4 S+ 0 0 20 -4,-0.3 3,-1.1 2,-0.2 -2,-0.2 0.956 112.1 43.7 -64.4 -54.6 12.7 -28.2 62.2 215 225 A V H >< S+ 0 0 4 -4,-3.2 3,-1.7 1,-0.3 -2,-0.2 0.912 108.7 58.3 -64.1 -40.8 11.5 -24.6 61.4 216 226 A R H 3< S+ 0 0 143 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.701 110.5 44.3 -60.1 -20.3 7.9 -25.9 60.6 217 227 A N T << S+ 0 0 105 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.279 87.2 124.4-107.9 8.1 7.8 -27.4 64.2 218 228 A A S < S- 0 0 10 -3,-1.7 2,-0.1 -4,-0.2 -41,-0.1 -0.236 80.0 -84.0 -57.0 153.3 9.2 -24.4 65.9 219 229 A P - 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0 0 73 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.106 49.7-133.2 -48.4 161.8 13.3 18.9 4.2 361 374 A A - 0 0 16 -34,-0.5 2,-0.1 -3,-0.1 -1,-0.1 -0.802 15.7 -93.7-127.5 160.1 12.4 15.2 3.8 362 375 A S > - 0 0 60 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.424 31.3-122.8 -71.3 147.4 10.9 12.9 1.2 363 376 A F H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 112.4 53.8 -53.2 -39.9 7.2 12.2 1.4 364 377 A K H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 109.1 45.5 -66.6 -45.8 8.0 8.5 1.5 365 378 A S H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 114.4 49.4 -61.6 -43.1 10.4 8.7 4.5 366 379 A Q H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.924 109.6 51.9 -62.8 -41.7 7.9 11.0 6.3 367 380 A M H X S+ 0 0 33 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.838 105.5 54.6 -66.3 -30.9 5.2 8.6 5.7 368 381 A K H X S+ 0 0 59 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.931 110.8 46.2 -64.4 -45.3 7.3 5.8 7.1 369 382 A R H X S+ 0 0 101 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.890 108.9 55.6 -62.5 -40.6 7.7 7.8 10.3 370 383 A A H <>S+ 0 0 0 -4,-2.7 5,-1.0 2,-0.2 4,-0.3 0.954 110.4 45.5 -56.5 -49.0 4.0 8.5 10.2 371 384 A D H ><5S+ 0 0 105 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.971 112.2 49.8 -57.2 -58.8 3.3 4.7 10.1 372 385 A A H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.752 101.3 66.2 -50.8 -29.9 5.8 3.9 12.9 373 386 A S T 3<5S- 0 0 30 -4,-1.7 -52,-0.8 -3,-0.3 -1,-0.3 0.622 104.1-124.0 -69.4 -15.6 4.3 6.6 15.1 374 387 A G T < 5 + 0 0 47 -3,-2.0 -54,-0.2 -4,-0.3 -3,-0.1 0.581 55.4 158.7 74.4 10.6 0.9 4.9 15.6 375 388 A A < - 0 0 7 -5,-1.0 -53,-0.2 1,-0.1 -1,-0.2 -0.317 40.7-146.2 -62.4 148.8 -0.8 8.0 14.2 376 389 A A S S+ 0 0 39 -54,-1.5 20,-3.1 -55,-0.3 2,-0.3 0.716 80.0 26.8 -86.5 -29.0 -4.3 7.5 12.8 377 390 A F E -mN 323 395E 15 -55,-1.6 -53,-2.2 18,-0.2 2,-0.5 -0.980 62.0-146.2-132.5 149.0 -3.9 10.1 10.1 378 391 A A E -mN 324 394E 0 16,-2.1 16,-2.6 -2,-0.3 2,-0.5 -0.974 16.3-158.5-102.3 126.3 -1.2 11.7 8.1 379 392 A V E -mN 325 393E 0 -55,-2.1 -53,-3.0 -2,-0.5 2,-0.4 -0.963 18.5-158.8-103.5 124.6 -2.0 15.4 7.4 380 393 A I E -mN 326 392E 9 12,-3.2 12,-2.2 -2,-0.5 2,-0.5 -0.888 17.5-175.1-120.0 131.1 0.0 16.4 4.4 381 394 A F E +m 327 0E 0 -55,-2.5 -53,-1.7 -2,-0.4 2,-0.2 -0.968 17.1 150.0-128.4 114.8 1.1 19.7 3.1 382 395 A G > - 0 0 5 -2,-0.5 4,-2.0 -55,-0.2 5,-0.1 -0.525 64.4 -76.4-117.6-165.3 3.0 20.3 -0.2 383 396 A E H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 129.0 52.3 -66.1 -43.5 3.0 23.3 -2.6 384 397 A D H > S+ 0 0 120 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.941 109.3 50.0 -56.8 -49.0 -0.4 22.5 -4.1 385 398 A E H >>S+ 0 0 29 1,-0.2 5,-2.4 2,-0.2 4,-1.3 0.890 111.3 48.3 -56.7 -45.2 -2.0 22.3 -0.7 386 399 A V H <5S+ 0 0 49 -4,-2.0 3,-0.2 3,-0.2 -1,-0.2 0.939 115.9 44.0 -60.0 -50.0 -0.6 25.6 0.4 387 400 A T H <5S+ 0 0 114 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 118.2 42.6 -62.6 -45.8 -1.7 27.3 -2.8 388 401 A N H <5S- 0 0 113 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.601 108.9-121.2 -77.4 -15.0 -5.2 25.8 -2.8 389 402 A G T <5S+ 0 0 25 -4,-1.3 16,-2.4 -5,-0.3 17,-0.4 0.841 70.1 124.4 74.9 36.0 -5.7 26.3 0.9 390 403 A T E < - 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