==== 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 HYDROLASE 06-APR-07 2PG3 . COMPND 2 MOLECULE: QUEUOSINE BIOSYNTHESIS PROTEIN QUEC; . SOURCE 2 ORGANISM_SCIENTIFIC: PECTOBACTERIUM ATROSEPTICUM SCRI1043; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.5 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 . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 1 0 0 1 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 153 0, 0.0 2,-0.9 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 94.2 2.5 24.2 17.5 2 2 A K + 0 0 82 106,-0.1 24,-2.4 107,-0.0 25,-1.4 -0.739 360.0 175.4 -78.0 106.6 3.6 20.5 17.8 3 3 A R E -a 27 0A 40 -2,-0.9 106,-2.1 104,-0.3 107,-1.0 -0.955 17.9-172.6-131.1 137.0 6.9 21.1 19.6 4 4 A A E -ab 28 110A 0 23,-2.3 25,-2.7 -2,-0.4 2,-0.4 -0.863 17.7-138.1-123.7 159.9 9.6 18.9 21.1 5 5 A V E -ab 29 111A 0 105,-2.5 107,-3.8 -2,-0.3 2,-0.6 -0.975 17.0-156.3-115.4 128.0 12.8 19.1 23.1 6 6 A V E -ab 30 112A 0 23,-2.6 25,-2.6 -2,-0.4 2,-0.7 -0.903 16.6-135.6-107.5 120.3 15.8 17.0 22.2 7 7 A V E -a 31 0A 25 105,-2.7 2,-0.4 -2,-0.6 107,-0.4 -0.714 43.8-172.4 -70.7 116.8 18.3 16.2 24.8 8 8 A F + 0 0 3 23,-3.0 25,-0.2 -2,-0.7 22,-0.0 -0.951 41.3 159.9-133.6 131.0 21.3 17.0 22.7 9 9 A S - 0 0 67 -2,-0.4 37,-0.1 23,-0.1 -1,-0.1 0.328 60.3-108.7-125.4 -1.2 25.1 16.6 22.8 10 10 A G S S+ 0 0 5 1,-0.2 168,-2.2 36,-0.1 2,-0.1 0.599 78.2 120.4 85.8 6.6 26.1 16.8 19.1 11 11 A G S > S- 0 0 8 166,-0.2 4,-1.8 168,-0.1 -1,-0.2 -0.198 80.9 -85.6 -91.7-169.7 27.1 13.1 18.8 12 12 A Q H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.940 122.0 46.0 -66.6 -48.0 25.6 10.5 16.5 13 13 A D H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 115.8 41.3 -64.5 -49.4 22.8 9.4 18.7 14 14 A S H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.827 115.1 51.7 -73.7 -33.3 21.4 12.8 19.7 15 15 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.844 108.5 52.5 -69.5 -35.4 21.8 14.2 16.2 16 16 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.882 110.6 47.3 -62.9 -41.6 19.9 11.2 14.8 17 17 A C H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.947 112.3 50.7 -62.8 -46.7 17.1 11.9 17.3 18 18 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.912 109.7 50.1 -56.8 -44.6 17.2 15.6 16.2 19 19 A I H X S+ 0 0 1 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.934 114.3 43.2 -63.0 -48.8 17.0 14.7 12.5 20 20 A Q H >X S+ 0 0 22 -4,-2.2 4,-1.5 1,-0.2 3,-1.0 0.916 112.5 54.0 -59.4 -43.4 14.0 12.4 13.1 21 21 A A H 3X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.3 -2,-0.2 0.851 100.2 60.6 -60.9 -37.4 12.3 15.0 15.4 22 22 A L H 3< S+ 0 0 45 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.739 107.3 46.3 -65.5 -25.6 12.6 17.7 12.8 23 23 A Q H << S+ 0 0 134 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.827 118.5 40.6 -76.1 -35.1 10.4 15.6 10.4 24 24 A D H < S+ 0 0 71 -4,-1.5 2,-0.3 2,-0.0 -2,-0.2 0.622 113.8 49.9 -93.6 -20.7 7.8 14.8 13.1 25 25 A Y < - 0 0 10 -4,-2.2 -22,-0.2 -5,-0.2 3,-0.1 -0.832 67.3-138.9-120.8 159.8 7.5 18.1 14.9 26 26 A D S S+ 0 0 117 -24,-2.4 2,-0.4 1,-0.3 -23,-0.2 0.735 93.9 25.5 -84.3 -24.3 6.9 21.7 13.7 27 27 A D E -a 3 0A 34 -25,-1.4 -23,-2.3 -6,-0.1 2,-0.4 -0.993 66.7-169.4-147.9 127.8 9.4 23.0 16.1 28 28 A V E -a 4 0A 1 -2,-0.4 28,-2.8 26,-0.4 29,-0.8 -0.983 1.6-169.5-126.4 129.4 12.4 21.5 17.9 29 29 A H E -ac 5 57A 22 -25,-2.7 -23,-2.6 -2,-0.4 2,-0.4 -0.791 13.3-147.6-101.1 151.4 14.4 22.9 20.7 30 30 A C E -ac 6 58A 0 27,-1.9 29,-2.6 -2,-0.3 2,-0.4 -0.917 8.6-165.4-113.2 146.5 17.7 21.3 21.8 31 31 A I E -ac 7 59A 1 -25,-2.6 -23,-3.0 -2,-0.4 2,-0.5 -0.999 2.0-164.6-130.9 131.4 19.0 21.3 25.3 32 32 A T E - c 0 60A 4 27,-2.8 29,-3.0 -2,-0.4 2,-0.8 -0.968 11.2-146.7-115.5 129.7 22.5 20.4 26.2 33 33 A F E - c 0 61A 9 -2,-0.5 2,-0.7 -25,-0.2 29,-0.2 -0.854 17.2-162.5-100.2 109.2 23.6 19.5 29.8 34 34 A D E + c 0 62A 43 27,-2.3 29,-2.0 -2,-0.8 30,-0.3 -0.813 31.1 147.6 -98.6 108.7 27.1 20.8 30.3 35 35 A Y S S- 0 0 67 -2,-0.7 -1,-0.1 27,-0.2 32,-0.1 0.183 90.9 -53.0-121.9 19.1 29.0 19.3 33.3 36 36 A G S S+ 0 0 63 31,-0.0 -2,-0.1 0, 0.0 26,-0.0 -0.008 97.5 139.2 126.7 -35.3 32.6 19.4 31.9 37 37 A Q S S- 0 0 63 -4,-0.1 -3,-0.1 2,-0.0 -28,-0.0 0.425 71.6 -28.3 48.0 -97.2 31.7 17.6 28.9 38 38 A R S S- 0 0 68 145,-0.0 2,-0.3 0, 0.0 3,-0.1 0.372 87.1 -87.5-139.0-112.7 33.4 19.0 25.9 39 39 A H > - 0 0 108 1,-0.1 4,-2.6 0, 0.0 5,-0.4 -0.849 40.0 -85.9-169.9 166.3 34.4 22.7 26.0 40 40 A R H > S+ 0 0 86 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.845 127.8 46.3 -34.6 -56.2 32.9 26.0 25.1 41 41 A A H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 112.8 46.5 -61.0 -47.8 33.9 25.6 21.5 42 42 A E H > S+ 0 0 40 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.935 115.4 47.4 -57.7 -48.4 32.8 21.9 21.0 43 43 A I H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.923 111.5 52.2 -57.3 -43.2 29.4 22.8 22.6 44 44 A E H X S+ 0 0 47 -4,-2.9 4,-2.1 -5,-0.4 -2,-0.2 0.841 107.6 51.6 -62.5 -32.4 29.5 25.9 20.3 45 45 A V H X S+ 0 0 76 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.980 108.1 50.6 -69.1 -49.0 30.0 23.5 17.3 46 46 A A H X S+ 0 0 11 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.788 108.6 54.1 -52.9 -34.3 27.1 21.4 18.4 47 47 A Q H X S+ 0 0 71 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.927 107.5 48.2 -67.4 -41.8 25.1 24.6 18.6 48 48 A E H X S+ 0 0 50 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.929 111.0 53.9 -63.1 -38.4 26.0 25.5 14.9 49 49 A L H X S+ 0 0 22 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.936 112.2 41.6 -58.7 -48.6 25.0 21.9 14.0 50 50 A S H X>S+ 0 0 2 -4,-2.1 5,-2.8 2,-0.2 4,-1.1 0.928 116.2 49.1 -66.9 -48.9 21.6 22.3 15.6 51 51 A Q H ><5S+ 0 0 153 -4,-2.9 3,-0.9 3,-0.2 -2,-0.2 0.945 114.2 46.2 -50.3 -50.8 21.1 25.8 14.2 52 52 A K H 3<5S+ 0 0 108 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.808 110.8 52.8 -71.6 -29.2 22.2 24.6 10.7 53 53 A L H 3<5S- 0 0 33 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.679 126.5 -96.0 -74.0 -18.2 19.9 21.5 10.9 54 54 A G T <<5 + 0 0 44 -4,-1.1 -26,-0.4 -3,-0.9 -3,-0.2 0.464 63.5 158.6 113.3 5.4 16.9 23.6 11.8 55 55 A A < - 0 0 15 -5,-2.8 -1,-0.2 1,-0.2 -26,-0.2 -0.338 37.8-142.8 -58.8 141.6 16.5 23.7 15.6 56 56 A A S S- 0 0 57 -28,-2.8 2,-0.3 1,-0.3 -27,-0.2 0.725 79.1 -7.0 -75.4 -25.0 14.4 26.7 16.7 57 57 A A E -c 29 0A 36 -29,-0.8 -27,-1.9 -7,-0.0 2,-0.3 -0.975 55.6-149.1-164.9 162.0 16.7 27.1 19.8 58 58 A H E -c 30 0A 26 -2,-0.3 2,-0.4 -29,-0.2 -27,-0.2 -0.842 13.9-164.4-142.9 102.6 19.5 25.5 21.7 59 59 A K E -c 31 0A 93 -29,-2.6 -27,-2.8 -2,-0.3 2,-0.5 -0.740 3.1-160.3 -90.5 133.1 19.7 25.9 25.4 60 60 A V E -c 32 0A 41 -2,-0.4 2,-0.5 -29,-0.2 -27,-0.2 -0.971 11.7-168.9-110.9 120.1 23.0 25.0 27.2 61 61 A L E -c 33 0A 53 -29,-3.0 -27,-2.3 -2,-0.5 2,-0.6 -0.945 20.1-131.0-119.6 122.1 22.5 24.4 30.9 62 62 A D E +c 34 0A 122 -2,-0.5 -27,-0.2 -29,-0.2 3,-0.2 -0.594 28.9 171.1 -70.6 110.6 25.4 24.1 33.3 63 63 A V > + 0 0 2 -29,-2.0 3,-1.9 -2,-0.6 4,-0.3 -0.193 27.7 135.0-113.0 41.5 24.8 21.0 35.5 64 64 A G T >> + 0 0 24 -30,-0.3 4,-0.6 1,-0.3 3,-0.6 0.595 53.8 82.9 -69.1 -6.6 28.2 21.0 37.1 65 65 A L H 3> S+ 0 0 104 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.766 79.0 68.7 -67.9 -25.5 26.5 20.4 40.5 66 66 A L H X4 S+ 0 0 12 -3,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.902 95.6 52.8 -50.2 -47.3 26.5 16.7 39.4 67 67 A N H X4 S+ 0 0 76 -3,-0.6 3,-0.8 -4,-0.3 6,-0.3 0.700 99.7 62.5 -61.9 -28.3 30.3 16.8 39.8 68 68 A E H 3< S+ 0 0 71 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.728 98.3 59.3 -68.5 -20.4 29.8 18.1 43.3 69 69 A L T << S+ 0 0 99 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.485 78.6 109.5 -90.7 -4.1 28.0 14.8 44.1 70 70 A A S <> S- 0 0 7 -3,-0.8 4,-2.5 -4,-0.2 3,-0.4 -0.441 80.2-118.0 -65.0 145.0 31.0 12.5 43.2 71 71 A T H > S+ 0 0 55 16,-0.5 4,-2.8 1,-0.2 5,-0.3 0.844 114.4 55.3 -55.8 -41.2 32.5 10.8 46.2 72 72 A S H > S+ 0 0 61 13,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.916 111.2 45.7 -58.7 -41.0 35.9 12.5 45.7 73 73 A S H > S+ 0 0 12 -3,-0.4 4,-2.6 -6,-0.3 -2,-0.2 0.948 112.6 49.8 -68.0 -46.4 34.1 16.0 45.8 74 74 A L H <>S+ 0 0 45 -4,-2.5 5,-2.8 2,-0.2 -2,-0.2 0.903 111.9 46.9 -58.9 -45.1 32.0 15.1 48.8 75 75 A T H ><5S+ 0 0 76 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.872 111.9 52.5 -65.6 -35.9 35.1 13.9 50.8 76 76 A R H 3<5S+ 0 0 189 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.848 105.3 54.1 -62.7 -38.9 36.9 17.0 49.7 77 77 A D T 3<5S- 0 0 69 -4,-2.6 -1,-0.3 -9,-0.1 -2,-0.2 0.142 126.0-104.3 -84.2 22.9 34.0 19.2 51.0 78 78 A S T < 5S+ 0 0 88 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.700 74.1 145.0 61.5 27.2 34.4 17.4 54.4 79 79 A I < - 0 0 84 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.817 51.3-120.5 -90.3 125.8 31.3 15.1 53.9 80 80 A P - 0 0 122 0, 0.0 -5,-0.0 0, 0.0 -6,-0.0 -0.550 32.5-178.5 -68.8 129.3 31.6 11.6 55.3 81 81 A V - 0 0 47 -2,-0.3 2,-0.3 -10,-0.1 -10,-0.0 -0.840 39.8 -90.4-117.0 152.8 31.1 8.8 52.8 82 82 A P 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.568 360.0 360.0 -74.4 133.8 31.2 5.1 53.7 83 83 A D 0 0 156 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 0.731 360.0 360.0 -82.7 360.0 34.8 3.6 53.4 84 ! 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 85 93 A N 0 0 100 0, 0.0 -13,-1.2 0, 0.0 -14,-0.2 0.000 360.0 360.0 360.0 171.7 35.4 7.0 42.3 86 94 A T + 0 0 121 -15,-0.1 2,-0.2 -16,-0.1 -16,-0.1 0.066 360.0 132.7-109.6 13.6 33.9 9.7 40.0 87 95 A F - 0 0 125 -18,-0.0 -16,-0.5 -17,-0.0 0, 0.0 -0.559 34.2-173.6 -78.7 136.9 30.7 7.7 39.6 88 96 A V > - 0 0 24 -2,-0.2 3,-0.5 -18,-0.1 -18,-0.1 -0.998 16.5-136.9-132.4 119.6 27.4 9.5 40.1 89 97 A P T 3 S+ 0 0 89 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.397 76.0 14.0 -74.0 153.7 24.1 7.6 40.1 90 98 A G T >> + 0 0 24 1,-0.1 4,-1.4 -2,-0.1 3,-0.6 0.767 65.4 152.1 61.9 35.2 21.0 8.7 38.4 91 99 A R H <> S+ 0 0 60 -3,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.907 74.1 52.9 -68.7 -30.6 22.4 11.4 36.1 92 100 A N H 3> S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.690 98.9 63.2 -78.3 -16.6 19.6 10.8 33.6 93 101 A I H <> S+ 0 0 70 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.939 108.8 44.0 -64.5 -48.3 16.9 11.3 36.3 94 102 A L H X S+ 0 0 53 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.944 112.7 50.0 -54.4 -52.2 18.4 14.7 36.5 95 103 A F H X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.920 112.0 47.0 -60.8 -45.4 18.6 15.3 32.8 96 104 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.887 112.6 50.7 -66.4 -35.1 15.0 14.1 32.1 97 105 A T H X S+ 0 0 47 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.904 112.8 45.1 -64.2 -47.8 13.7 16.3 35.0 98 106 A L H X S+ 0 0 42 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.926 112.4 51.2 -69.3 -40.8 15.5 19.4 33.7 99 107 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 -1,-0.2 0.816 110.5 50.6 -58.0 -37.7 14.4 18.8 30.1 100 108 A S H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.904 109.7 48.4 -67.6 -44.9 10.8 18.5 31.3 101 109 A I H X S+ 0 0 85 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.932 115.6 45.8 -58.9 -47.9 11.0 21.8 33.2 102 110 A Y H X S+ 0 0 39 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.956 111.9 51.3 -58.5 -51.4 12.5 23.3 30.1 103 111 A A H X>S+ 0 0 0 -4,-3.1 5,-3.7 1,-0.2 4,-0.6 0.893 108.7 52.0 -52.5 -45.6 9.8 21.7 27.9 104 112 A Y H ><5S+ 0 0 78 -4,-2.9 3,-0.9 3,-0.2 -1,-0.2 0.933 109.9 49.3 -51.1 -50.1 7.0 23.0 30.1 105 113 A Q H 3<5S+ 0 0 146 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.764 117.2 38.9 -70.2 -28.0 8.4 26.5 29.8 106 114 A V H 3<5S- 0 0 36 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.320 115.3-109.4-105.0 6.5 8.7 26.5 26.0 107 115 A G T <<5 + 0 0 41 -3,-0.9 2,-0.4 -4,-0.6 -104,-0.3 0.881 58.5 162.8 73.3 40.1 5.4 24.6 25.5 108 116 A A < - 0 0 3 -5,-3.7 -1,-0.2 -6,-0.2 -104,-0.2 -0.807 31.2-161.6 -96.7 134.0 6.9 21.3 24.3 109 117 A E S S+ 0 0 62 -106,-2.1 38,-2.8 -2,-0.4 2,-0.4 0.569 74.8 38.6 -84.2 -11.0 4.7 18.2 24.3 110 118 A A E -bd 4 147A 0 -107,-1.0 -105,-2.5 36,-0.2 2,-0.5 -1.000 57.2-155.1-146.3 138.9 7.7 15.8 24.2 111 119 A V E -bd 5 148A 0 36,-2.6 38,-2.6 -2,-0.4 2,-0.5 -0.975 23.7-155.1-104.4 128.1 11.2 15.4 25.5 112 120 A I E +bd 6 149A 5 -107,-3.8 -105,-2.7 -2,-0.5 2,-0.4 -0.912 14.3 179.3-112.0 128.2 13.3 13.2 23.2 113 121 A T - 0 0 6 36,-2.7 39,-0.5 -2,-0.5 40,-0.2 -0.981 29.7-143.3-132.9 144.1 16.2 11.3 24.5 114 122 A G + 0 0 15 -2,-0.4 36,-0.1 -107,-0.4 -1,-0.0 0.303 55.2 132.3 -88.8 9.9 18.7 8.9 22.8 115 123 A V + 0 0 24 10,-0.1 2,-0.3 -23,-0.0 37,-0.2 -0.128 31.0 177.8 -59.5 156.2 19.1 6.5 25.7 116 124 A C - 0 0 17 38,-0.1 7,-0.3 35,-0.1 3,-0.3 -0.988 40.4-135.9-156.5 162.2 18.9 2.7 25.2 117 125 A E S S+ 0 0 65 36,-2.0 37,-0.1 -2,-0.3 36,-0.1 0.276 87.5 84.2-101.7 8.5 19.1 -0.7 26.8 118 126 A T + 0 0 59 35,-0.4 -1,-0.1 37,-0.2 39,-0.1 0.462 64.7 102.7-101.0 5.4 21.2 -2.3 24.0 119 127 A D S S- 0 0 73 -3,-0.3 37,-0.0 2,-0.3 0, 0.0 -0.404 83.5-109.4 -83.9 159.8 24.7 -1.2 25.1 120 128 A F S S+ 0 0 203 -2,-0.1 2,-0.5 1,-0.0 -1,-0.1 0.847 112.8 53.1 -47.3 -42.5 27.3 -3.4 26.8 121 129 A S S S- 0 0 75 2,-0.0 2,-0.6 0, 0.0 -2,-0.3 -0.906 79.1-155.9-100.4 129.1 26.7 -1.3 29.9 122 130 A G - 0 0 61 -2,-0.5 -5,-0.1 -4,-0.1 5,-0.1 -0.883 6.0-160.8-114.0 98.3 23.1 -1.1 31.0 123 131 A Y > - 0 0 128 -2,-0.6 3,-1.4 -7,-0.3 -4,-0.1 -0.540 14.5-143.1 -80.3 131.6 22.4 2.0 33.1 124 132 A P G > S+ 0 0 92 0, 0.0 3,-1.1 0, 0.0 6,-0.2 0.796 100.3 61.0 -75.7 -22.5 19.3 1.6 35.1 125 133 A D G 3 S+ 0 0 15 1,-0.2 -10,-0.1 5,-0.1 -2,-0.1 0.326 105.2 53.1 -77.9 10.4 18.3 5.3 34.6 126 134 A C G < S+ 0 0 21 -3,-1.4 -1,-0.2 -10,-0.1 2,-0.2 0.179 81.8 116.9-124.0 9.1 18.3 4.5 30.9 127 135 A R S <> S- 0 0 95 -3,-1.1 4,-2.4 1,-0.1 5,-0.2 -0.581 70.3-126.8 -82.0 143.7 15.9 1.5 31.0 128 136 A D H > S+ 0 0 25 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.919 112.6 52.2 -50.5 -47.8 12.5 1.7 29.2 129 137 A E H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 110.3 48.3 -58.2 -46.7 10.7 0.7 32.5 130 138 A F H > S+ 0 0 40 -6,-0.2 4,-3.1 2,-0.2 5,-0.3 0.925 109.4 51.5 -54.6 -49.5 12.5 3.5 34.3 131 139 A V H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 112.0 46.6 -62.6 -43.5 11.7 6.2 31.7 132 140 A K H X S+ 0 0 114 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.916 112.4 50.5 -59.7 -46.9 8.0 5.3 31.8 133 141 A A H X S+ 0 0 57 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.932 114.3 43.9 -57.9 -49.8 8.0 5.3 35.6 134 142 A L H X S+ 0 0 25 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.895 109.0 57.3 -61.3 -42.5 9.7 8.7 35.7 135 143 A N H X S+ 0 0 29 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.952 106.6 50.6 -54.2 -46.7 7.4 10.1 32.9 136 144 A Q H X S+ 0 0 139 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.877 112.7 45.1 -59.8 -39.9 4.4 9.2 35.1 137 145 A A H X S+ 0 0 55 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.894 112.6 50.0 -68.8 -43.5 5.9 11.0 38.1 138 146 A I H X S+ 0 0 17 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.920 104.0 58.7 -67.9 -41.2 6.9 14.1 36.2 139 147 A V H X>S+ 0 0 31 -4,-2.7 5,-1.3 -5,-0.3 4,-0.9 0.911 111.0 43.9 -51.3 -45.4 3.5 14.5 34.6 140 148 A L H <5S+ 0 0 149 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.899 115.3 47.6 -63.9 -41.9 2.1 14.7 38.1 141 149 A G H <5S+ 0 0 70 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 119.3 36.3 -78.1 -29.4 4.8 17.0 39.5 142 150 A I H <5S- 0 0 34 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.514 102.5-129.0 -96.5 -5.3 4.8 19.6 36.7 143 151 A A T <5S+ 0 0 82 -4,-0.9 2,-0.3 -5,-0.4 -3,-0.2 0.925 73.8 95.5 55.4 48.9 0.9 19.3 36.1 144 152 A R S + 0 0 26 -2,-0.4 3,-1.8 -38,-0.2 4,-0.3 -0.684 8.0 171.7-133.3 75.2 13.2 7.1 23.3 151 159 A P T 3 S+ 0 0 21 0, 0.0 3,-0.2 0, 0.0 -37,-0.1 0.748 82.5 46.3 -59.3 -27.2 13.6 6.4 19.5 152 160 A L T > S+ 0 0 2 -39,-0.5 3,-1.6 -37,-0.2 -35,-0.1 0.341 78.0 111.9 -98.2 9.5 16.9 4.6 20.1 153 161 A X T < S+ 0 0 0 -3,-1.8 -36,-2.0 1,-0.3 -35,-0.4 0.868 90.4 24.4 -51.9 -46.1 15.7 2.4 23.0 154 162 A W T 3 S+ 0 0 119 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.3 0.145 102.8 107.6-110.4 18.5 15.8 -0.9 21.2 155 163 A L < - 0 0 8 -3,-1.6 -37,-0.2 4,-0.0 2,-0.2 -0.721 54.5-146.2-103.8 144.8 18.4 -0.1 18.5 156 164 A N > - 0 0 63 -2,-0.3 4,-1.6 1,-0.0 5,-0.2 -0.457 41.6 -95.7 -91.5 175.7 22.0 -1.2 18.0 157 165 A K H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 123.8 56.2 -64.4 -34.1 24.5 1.2 16.4 158 166 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 108.9 46.8 -63.8 -42.8 24.0 -0.3 13.0 159 167 A E H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.794 107.6 56.9 -65.8 -30.8 20.3 0.4 13.1 160 168 A T H X S+ 0 0 4 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.891 107.3 48.9 -69.5 -40.0 20.9 4.0 14.4 161 169 A W H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.870 109.0 53.5 -63.5 -38.0 23.0 4.5 11.2 162 170 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.902 105.8 53.3 -62.4 -43.3 20.2 3.1 9.2 163 171 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.907 107.8 49.4 -59.8 -46.0 17.8 5.6 10.8 164 172 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 3,-0.4 0.947 113.1 48.7 -54.4 -50.6 20.0 8.5 9.8 165 173 A D H ><5S+ 0 0 66 -4,-2.2 3,-2.0 4,-0.2 -2,-0.2 0.854 103.0 61.1 -57.2 -39.9 20.1 7.0 6.3 166 174 A Y H 3<5S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.889 106.5 46.3 -54.3 -42.3 16.3 6.6 6.2 167 175 A Y T 3<5S- 0 0 35 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.269 121.5-113.5 -86.2 13.6 16.0 10.4 6.7 168 176 A Q T < 5S+ 0 0 174 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.771 89.7 105.2 64.1 35.5 18.6 10.8 3.9 169 177 A Q >< + 0 0 58 -5,-2.4 4,-1.7 -6,-0.1 3,-0.3 0.095 23.6 123.2-135.8 28.3 21.3 12.3 6.2 170 178 A L H > S+ 0 0 21 1,-0.2 4,-3.1 -6,-0.2 5,-0.1 0.914 79.4 52.9 -56.4 -46.5 23.8 9.6 6.9 171 179 A D H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.828 104.1 56.1 -60.8 -35.4 26.7 11.8 5.6 172 180 A T H > S+ 0 0 34 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.928 113.4 40.7 -58.7 -48.6 25.6 14.7 7.9 173 181 A V H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.937 115.5 53.6 -61.8 -47.1 26.0 12.4 10.9 174 182 A R H < S+ 0 0 68 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.831 122.3 22.8 -61.4 -41.0 29.1 10.8 9.5 175 183 A Y H < S+ 0 0 142 -4,-2.2 -1,-0.2 11,-0.2 -2,-0.2 0.794 126.5 42.3 -93.5 -32.1 31.1 14.0 8.9 176 184 A H H < S+ 0 0 95 -4,-2.0 2,-0.2 -5,-0.3 -3,-0.2 0.275 91.1 83.2-115.3 4.0 29.6 16.6 11.3 177 185 A T < - 0 0 1 -4,-1.2 9,-3.3 -5,-0.1 2,-0.5 -0.666 65.6-133.3-105.0 168.7 29.0 14.9 14.6 178 186 A L + 0 0 22 -168,-2.2 7,-0.2 7,-0.2 9,-0.1 -0.943 43.9 139.9-125.6 107.5 31.4 14.3 17.5 179 187 A T + 0 0 24 -2,-0.5 -1,-0.1 5,-0.4 15,-0.1 0.665 42.7 107.1-109.2 -33.8 31.4 10.9 19.1 180 188 A C > - 0 0 0 4,-0.7 3,-1.2 6,-0.3 8,-0.1 -0.100 64.7-142.4 -57.9 140.8 35.2 10.5 19.7 181 189 A Y T 3 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.1 7,-0.0 0.802 101.3 58.0 -75.1 -24.3 36.4 10.8 23.2 182 190 A N T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.248 119.2-104.1 -91.5 12.3 39.5 12.6 21.8 183 191 A G S < S+ 0 0 31 -3,-1.2 2,-0.5 1,-0.3 -2,-0.1 0.638 72.1 140.5 83.9 15.8 37.6 15.5 20.1 184 192 A I - 0 0 79 2,-0.1 -4,-0.7 3,-0.0 -5,-0.4 -0.817 47.0-133.0-100.5 122.4 37.9 14.3 16.5 185 193 A K > - 0 0 97 -2,-0.5 3,-1.7 -7,-0.2 -7,-0.2 -0.279 67.4 -1.3 -71.7 159.7 34.7 14.9 14.5 186 194 A G T 3 S+ 0 0 6 -9,-3.3 -7,-0.4 1,-0.3 -6,-0.3 -0.457 139.4 8.1 72.1-128.5 33.2 12.2 12.3 187 195 A D T > S- 0 0 81 -2,-0.2 3,-0.5 1,-0.2 -1,-0.3 0.485 99.1-166.6 -72.2 -11.9 35.1 8.9 12.2 188 196 A G T < - 0 0 19 -3,-1.7 -1,-0.2 1,-0.2 -3,-0.1 -0.007 46.4 -32.4 72.9-164.0 37.4 10.3 15.0 189 197 A C T 3 - 0 0 36 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.692 67.5-140.4 -67.9 -19.7 40.6 8.9 16.2 190 198 A G S < S+ 0 0 38 -3,-0.5 -2,-0.1 1,-0.1 -1,-0.1 0.374 85.2 84.4 71.4 -4.3 39.5 5.4 15.4 191 199 A Q + 0 0 163 4,-0.0 2,-0.3 5,-0.0 -1,-0.1 0.231 68.8 80.0-117.4 11.2 41.3 4.4 18.7 192 200 A C S > S- 0 0 14 1,-0.1 4,-2.5 0, 0.0 3,-0.2 -0.817 84.5-107.3-118.0 166.9 38.8 5.0 21.5 193 201 A A H > S+ 0 0 56 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.899 119.3 48.3 -53.3 -49.4 35.9 3.0 22.8 194 202 A A H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 110.2 51.6 -66.7 -36.9 33.3 5.3 21.4 195 203 A C H > S+ 0 0 5 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 110.5 50.6 -61.4 -42.3 35.0 5.4 17.9 196 204 A H H X S+ 0 0 96 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.960 110.1 47.8 -63.1 -51.0 35.0 1.6 17.9 197 205 A L H X S+ 0 0 57 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.921 115.9 44.1 -53.9 -53.0 31.4 1.2 18.8 198 206 A R H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.834 115.0 48.1 -60.9 -38.8 30.3 3.7 16.1 199 207 A A H X S+ 0 0 55 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.809 109.3 52.6 -78.7 -33.3 32.6 2.3 13.4 200 208 A N H X S+ 0 0 98 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.941 110.8 49.5 -60.9 -47.4 31.5 -1.2 14.0 201 209 A G H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.930 111.2 47.7 -55.5 -53.3 28.0 -0.0 13.6 202 210 A L H X S+ 0 0 10 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.871 111.8 50.3 -60.1 -42.1 28.7 1.8 10.4 203 211 A A H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.874 109.9 49.0 -69.2 -36.6 30.5 -1.2 9.0 204 212 A Q H X S+ 0 0 101 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.937 111.6 51.7 -63.3 -43.5 27.7 -3.7 9.8 205 213 A Y H < S+ 0 0 14 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.842 111.6 45.7 -62.1 -32.9 25.3 -1.3 8.2 206 214 A Q H < S+ 0 0 115 -4,-1.5 3,-0.5 -5,-0.2 -1,-0.2 0.889 114.8 46.7 -79.8 -38.5 27.4 -1.0 5.0 207 215 A K H < S+ 0 0 74 -4,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.952 130.7 19.5 -62.8 -51.3 27.9 -4.8 4.7 208 216 A D S X S+ 0 0 93 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 -0.502 75.6 153.2-126.4 62.7 24.3 -5.8 5.3 209 217 A A H > S+ 0 0 41 -3,-0.5 4,-2.7 -2,-0.3 5,-0.2 0.895 71.2 45.8 -66.8 -51.0 22.2 -2.7 4.6 210 218 A A H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.846 114.2 50.0 -60.5 -39.5 18.9 -4.1 3.6 211 219 A T H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.870 114.0 44.1 -67.0 -42.3 18.9 -6.6 6.5 212 220 A V H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.851 114.2 49.7 -73.0 -41.0 19.7 -3.9 9.0 213 221 A X H X S+ 0 0 33 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.881 110.4 51.2 -60.9 -42.9 17.2 -1.5 7.5 214 222 A A H X S+ 0 0 57 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.957 111.0 47.8 -60.4 -49.2 14.6 -4.3 7.7 215 223 A S H X S+ 0 0 40 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.906 112.9 49.7 -54.9 -45.5 15.5 -4.9 11.3 216 224 A L H >X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 3,-0.7 0.966 110.9 47.2 -58.8 -57.6 15.2 -1.1 12.0 217 225 A K H 3X S+ 0 0 78 -4,-2.9 4,-1.8 1,-0.3 3,-0.3 0.923 109.6 55.5 -52.0 -47.6 11.8 -0.7 10.3 218 226 A Q H 3< S+ 0 0 160 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.853 112.3 41.6 -55.0 -37.9 10.5 -3.8 12.1 219 227 A K H << S+ 0 0 84 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.803 123.6 30.7 -82.5 -30.1 11.4 -2.3 15.6 220 228 A V H < S- 0 0 50 -4,-1.7 2,-0.5 1,-0.3 -2,-0.2 0.503 102.2-112.6-113.7 -6.9 10.3 1.4 15.2 221 229 A G < 0 0 45 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.0 -0.954 360.0 360.0 106.2-126.3 7.3 1.4 12.8 222 230 A L 0 0 90 -2,-0.5 -5,-0.1 -3,-0.1 -4,-0.1 0.282 360.0 360.0 49.8 360.0 8.1 3.2 9.5