==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-AUG-06 2I6J . COMPND 2 MOLECULE: SULFOLOBUS SOLFATARICUS PROTEIN TYROSINE . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR H.M.CHU,A.H.J.WANG . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 44.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 2 0 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 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 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 M 0 0 86 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 140.8 16.9 -12.4 -5.2 2 2 A Y E -A 11 0A 28 9,-2.6 9,-2.2 97,-0.1 2,-0.4 -0.961 360.0-131.5-135.0 151.1 18.2 -15.9 -6.2 3 3 A W E -A 10 0A 29 -2,-0.3 7,-0.3 7,-0.3 3,-0.2 -0.868 14.2-176.9-103.6 135.1 17.9 -19.4 -4.7 4 4 A V E S+ 0 0 12 5,-2.5 2,-0.4 -2,-0.4 6,-0.2 0.785 93.2 20.6 -91.6 -37.8 21.0 -21.6 -4.3 5 5 A R E >> S-A 9 0A 60 4,-2.1 3,-2.9 0, 0.0 4,-2.0 -0.955 111.3 -97.3-132.9 108.9 18.8 -24.4 -3.0 6 6 A R T 34 S- 0 0 184 -2,-0.4 4,-0.1 1,-0.3 85,-0.1 0.066 95.5 -21.6 -33.3 108.4 15.1 -23.9 -4.0 7 7 A K T 34 S+ 0 0 74 1,-0.1 84,-3.1 20,-0.1 -1,-0.3 0.437 127.3 79.3 67.0 1.6 13.2 -22.3 -1.1 8 8 A T T <4 S- 0 0 33 -3,-2.9 84,-2.0 1,-0.3 2,-0.3 0.805 105.2 -3.5-103.7 -43.6 15.8 -23.4 1.5 9 9 A I E < +Ab 5 92A 1 -4,-2.0 -5,-2.5 82,-0.2 -4,-2.1 -0.954 68.4 148.8-155.1 133.6 18.5 -20.8 1.1 10 10 A G E -Ab 3 93A 0 82,-2.3 84,-2.2 -2,-0.3 2,-0.3 -0.863 27.0-127.6-148.2-178.7 19.2 -17.9 -1.3 11 11 A G E +Ab 2 94A 0 -9,-2.2 -9,-2.6 -2,-0.3 2,-0.3 -0.860 22.9 159.5-135.4 169.8 20.8 -14.5 -1.5 12 12 A S E - b 0 95A 6 82,-1.4 84,-1.3 -2,-0.3 87,-0.3 -0.965 34.1 -97.9-170.7 179.3 20.1 -11.0 -2.6 13 13 A G - 0 0 21 85,-0.4 85,-0.3 -2,-0.3 84,-0.2 -0.307 60.6 -61.5 -99.9-170.5 21.2 -7.4 -2.2 14 14 A L - 0 0 17 83,-2.5 -1,-0.1 -2,-0.1 2,-0.1 -0.593 55.9-123.5 -76.5 127.1 19.9 -4.7 0.0 15 15 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.437 13.7-158.0 -72.2 147.8 16.2 -3.9 -0.6 16 16 A Y S S+ 0 0 165 1,-0.1 2,-0.3 -2,-0.1 -2,-0.0 0.720 73.0 22.5 -94.3 -27.7 15.3 -0.2 -1.5 17 17 A T S > S- 0 0 61 1,-0.1 4,-0.9 28,-0.0 3,-0.2 -0.872 76.2-112.7-136.4 169.1 11.7 -0.4 -0.6 18 18 A E H > S+ 0 0 53 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.794 114.9 63.8 -71.8 -27.9 9.2 -2.3 1.6 19 19 A N H > S+ 0 0 111 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.881 99.6 52.7 -63.8 -35.6 7.6 -3.6 -1.6 20 20 A E H > S+ 0 0 60 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.842 107.1 52.5 -68.2 -31.1 10.8 -5.4 -2.5 21 21 A I H X S+ 0 0 0 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.872 106.7 52.2 -71.1 -35.1 10.8 -7.0 1.0 22 22 A L H X S+ 0 0 75 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.816 103.4 59.4 -69.3 -27.6 7.2 -8.2 0.3 23 23 A E H X S+ 0 0 118 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.881 103.6 50.8 -65.8 -38.2 8.6 -9.6 -3.0 24 24 A W H X>S+ 0 0 14 -4,-1.3 5,-2.4 2,-0.2 4,-0.7 0.921 108.9 51.5 -63.4 -43.7 11.0 -11.8 -0.9 25 25 A R H ><5S+ 0 0 122 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.912 108.5 49.9 -59.8 -44.4 8.0 -12.9 1.2 26 26 A K H 3<5S+ 0 0 193 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 106.9 57.6 -65.3 -29.0 6.1 -13.9 -1.9 27 27 A E H 3<5S- 0 0 84 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.646 128.4 -95.5 -75.9 -16.5 9.2 -15.9 -3.1 28 28 A G T <<5S+ 0 0 14 -3,-1.1 -3,-0.2 -4,-0.7 2,-0.2 0.499 71.4 150.6 114.0 6.2 9.2 -17.9 0.1 29 29 A V < + 0 0 2 -5,-2.4 -1,-0.3 1,-0.1 63,-0.2 -0.518 6.7 159.3 -72.3 137.4 11.6 -16.0 2.3 30 30 A K + 0 0 95 61,-3.0 31,-1.6 1,-0.4 2,-0.4 0.537 62.3 34.8-130.8 -24.0 10.9 -16.4 6.0 31 31 A R E -cd 61 92A 11 60,-2.1 62,-2.4 29,-0.2 2,-0.5 -0.995 66.1-154.9-138.4 141.7 14.2 -15.5 7.8 32 32 A V E -cd 62 93A 0 29,-2.6 31,-1.9 -2,-0.4 2,-0.7 -0.968 8.0-157.9-128.0 125.2 16.8 -13.0 6.8 33 33 A L E -cd 63 94A 0 60,-3.0 62,-2.3 -2,-0.5 2,-0.7 -0.887 19.7-153.9 -97.6 113.6 20.5 -12.9 7.7 34 34 A V E +cd 64 95A 0 29,-3.1 31,-2.5 -2,-0.7 62,-0.2 -0.820 20.5 171.3 -94.9 113.9 21.6 -9.3 7.3 35 35 A L + 0 0 0 60,-2.6 32,-2.8 -2,-0.7 61,-0.2 0.668 40.0 98.7 -98.2 -20.8 25.4 -8.9 6.5 36 36 A P S S- 0 0 0 0, 0.0 2,-0.1 0, 0.0 29,-0.0 -0.280 75.4-105.8 -70.5 160.8 26.0 -5.3 5.6 37 37 A E >> - 0 0 60 30,-0.3 4,-2.0 29,-0.1 3,-0.8 -0.359 38.1 -98.2 -76.0 161.6 27.5 -2.8 8.2 38 38 A D H 3> S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 122.5 52.2 -45.9 -51.4 25.3 -0.1 9.8 39 39 A W H 3> S+ 0 0 131 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.816 107.9 51.1 -60.1 -32.7 26.4 2.6 7.3 40 40 A E H X4 S+ 0 0 7 -3,-0.8 3,-0.6 2,-0.2 4,-0.5 0.914 112.2 46.6 -70.5 -42.4 25.6 0.5 4.3 41 41 A I H >X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-1.4 0.905 108.0 57.7 -64.4 -41.3 22.1 -0.3 5.6 42 42 A E H 3X S+ 0 0 73 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.713 88.6 73.7 -64.1 -21.3 21.6 3.4 6.4 43 43 A E H << S+ 0 0 135 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.839 117.1 19.7 -62.0 -30.7 22.2 4.4 2.8 44 44 A S H <4 S+ 0 0 40 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.647 138.9 30.8-110.7 -22.1 18.8 3.0 2.0 45 45 A W H < S- 0 0 31 -4,-2.2 2,-2.3 -5,-0.1 -3,-0.2 0.338 85.4-135.9-123.1 7.4 17.0 2.9 5.3 46 46 A G S < S+ 0 0 57 -4,-2.0 2,-0.3 -5,-0.2 -4,-0.2 -0.074 85.4 38.8 69.3 -41.9 18.4 5.8 7.4 47 47 A D > - 0 0 76 -2,-2.3 4,-2.3 -6,-0.2 5,-0.2 -0.984 69.0-142.5-145.2 130.1 18.8 3.7 10.6 48 48 A K H > S+ 0 0 44 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.892 105.4 49.2 -57.6 -44.0 19.9 0.1 11.0 49 49 A D H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 108.9 53.5 -65.1 -36.6 17.5 -0.6 13.8 50 50 A Y H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.928 108.0 50.6 -62.8 -43.7 14.7 0.9 11.8 51 51 A Y H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.924 109.5 50.1 -59.9 -44.8 15.5 -1.4 8.9 52 52 A L H X S+ 0 0 27 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.868 109.2 51.5 -63.0 -35.7 15.5 -4.5 11.2 53 53 A S H X S+ 0 0 56 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.851 106.7 55.1 -69.1 -32.7 12.1 -3.4 12.6 54 54 A I H X S+ 0 0 4 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.861 106.2 51.1 -66.8 -36.7 10.8 -3.1 9.0 55 55 A L H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 3,-0.3 0.927 113.2 44.9 -66.2 -43.3 11.9 -6.7 8.4 56 56 A K H ><5S+ 0 0 140 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.875 107.8 57.3 -67.5 -38.2 10.0 -7.9 11.5 57 57 A K H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.790 105.1 53.9 -63.2 -26.8 7.0 -5.8 10.6 58 58 A N T 3<5S- 0 0 15 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.151 126.5 -98.6 -95.1 19.1 6.8 -7.7 7.3 59 59 A G T < 5S+ 0 0 34 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.658 83.7 125.9 76.6 17.4 6.8 -11.1 9.0 60 60 A L < - 0 0 2 -5,-2.3 -1,-0.2 -6,-0.2 -29,-0.2 -0.912 54.7-139.0-112.9 135.9 10.5 -11.9 8.5 61 61 A Q E -c 31 0A 101 -31,-1.6 -29,-2.6 -2,-0.4 2,-0.2 -0.817 28.5-161.9 -92.6 115.7 12.8 -12.8 11.4 62 62 A P E -c 32 0A 22 0, 0.0 2,-0.4 0, 0.0 -29,-0.2 -0.672 18.7-169.1-102.4 157.8 16.2 -11.0 11.0 63 63 A L E -c 33 0A 42 -31,-1.9 -29,-3.1 -2,-0.2 2,-0.7 -0.979 15.6-148.7-138.9 123.8 19.7 -11.5 12.4 64 64 A H E +c 34 0A 33 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.1 -0.864 24.4 164.9-102.4 115.1 22.3 -8.8 11.9 65 65 A I - 0 0 18 -31,-2.5 2,-0.2 -2,-0.7 -28,-0.0 -0.813 29.2-146.1-128.5 87.2 25.9 -10.0 11.6 66 66 A P - 0 0 45 0, 0.0 -29,-0.1 0, 0.0 -31,-0.1 -0.368 19.4-179.2 -60.1 120.9 27.9 -7.1 10.1 67 67 A I - 0 0 1 -32,-2.8 -30,-0.3 -2,-0.2 3,-0.1 -0.986 30.2-116.4-123.5 127.7 30.8 -8.1 7.9 68 68 A P > - 0 0 66 0, 0.0 3,-2.8 0, 0.0 -33,-0.0 -0.346 45.1 -88.1 -63.6 143.5 33.0 -5.4 6.3 69 69 A D T 3 S+ 0 0 116 1,-0.3 3,-0.1 32,-0.0 27,-0.0 -0.246 116.4 14.9 -52.8 130.7 32.9 -5.2 2.5 70 70 A G T 3 S+ 0 0 19 1,-0.3 69,-0.3 -3,-0.1 -1,-0.3 0.312 113.4 101.8 84.9 -7.7 35.4 -7.6 1.0 71 71 A G < - 0 0 9 -3,-2.8 -1,-0.3 67,-0.1 65,-0.1 -0.151 63.6-125.0 -98.3-168.0 35.8 -9.4 4.3 72 72 A V - 0 0 28 -3,-0.1 30,-0.0 -2,-0.1 67,-0.0 -0.908 35.1 -88.6-135.0 160.8 34.7 -12.6 6.0 73 73 A P - 0 0 3 0, 0.0 -6,-0.1 0, 0.0 2,-0.1 -0.374 45.5-113.3 -69.0 152.3 32.9 -13.3 9.3 74 74 A S > - 0 0 50 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.349 36.3-100.3 -73.7 168.6 35.2 -13.8 12.3 75 75 A D H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.897 126.6 50.3 -59.9 -37.9 35.2 -17.3 13.7 76 76 A S H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.927 111.7 47.2 -65.8 -43.4 32.8 -16.2 16.5 77 77 A Q H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.871 109.1 55.0 -64.8 -36.6 30.4 -14.6 13.9 78 78 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.884 105.4 52.0 -65.3 -38.1 30.6 -17.7 11.7 79 79 A L H X S+ 0 0 64 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.932 112.9 45.7 -62.2 -43.7 29.5 -19.9 14.6 80 80 A T H X S+ 0 0 66 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.904 112.4 50.7 -65.0 -44.2 26.5 -17.5 15.1 81 81 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.932 113.7 43.9 -60.5 -48.7 25.7 -17.4 11.4 82 82 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.842 110.1 53.8 -70.6 -32.4 25.7 -21.2 11.0 83 83 A K H X S+ 0 0 145 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.933 114.2 45.4 -64.8 -40.4 23.7 -21.8 14.2 84 84 A W H >X S+ 0 0 45 -4,-2.1 3,-0.7 2,-0.2 4,-0.7 0.951 114.0 45.6 -65.2 -52.7 21.1 -19.4 12.8 85 85 A L H 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.834 115.5 47.8 -62.4 -33.2 21.0 -20.8 9.3 86 86 A L H 3< S+ 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.618 94.1 76.0 -84.7 -12.6 20.9 -24.4 10.5 87 87 A S H << S+ 0 0 63 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.2 0.826 111.1 17.6 -67.0 -34.1 18.1 -23.8 13.1 88 88 A E < - 0 0 115 -4,-0.7 -1,-0.3 -3,-0.3 -57,-0.0 -0.983 64.3-163.6-140.7 126.5 15.4 -23.6 10.4 89 89 A K > + 0 0 136 -2,-0.4 3,-0.5 -3,-0.2 2,-0.3 0.774 63.3 85.2 -84.5 -25.1 15.9 -25.0 6.9 90 90 A E T 3 S- 0 0 133 1,-0.2 -82,-0.2 -60,-0.0 -60,-0.1 -0.607 96.1 -2.3 -87.7 136.2 13.0 -23.3 5.0 91 91 A G T 3 S+ 0 0 0 -84,-3.1 -61,-3.0 -2,-0.3 -60,-2.1 0.757 73.5 168.0 66.1 33.1 13.1 -19.8 3.5 92 92 A N E < -bd 9 31A 0 -84,-2.0 -82,-2.3 -3,-0.5 2,-0.4 -0.652 10.4-174.6 -82.3 126.3 16.6 -18.6 4.5 93 93 A L E -bd 10 32A 1 -62,-2.4 -60,-3.0 -2,-0.5 2,-0.4 -0.970 6.3-167.0-119.9 134.1 17.7 -15.4 2.7 94 94 A V E +bd 11 33A 0 -84,-2.2 -82,-1.4 -2,-0.4 2,-0.3 -0.969 17.0 176.8-116.7 133.1 21.3 -14.0 3.1 95 95 A H E +bd 12 34A 0 -62,-2.3 -60,-2.6 -2,-0.4 -82,-0.2 -0.987 20.6 162.5-142.8 152.3 21.9 -10.5 1.9 96 96 A C - 0 0 5 -84,-1.3 -27,-0.0 -2,-0.3 -61,-0.0 -0.176 67.9 -57.9-129.9-132.7 24.6 -7.8 1.7 97 97 A V S S+ 0 0 62 -84,-0.2 -83,-2.5 -2,-0.1 -84,-0.1 0.938 128.2 0.9 -86.5 -50.0 24.6 -4.8 -0.6 98 98 A G S S- 0 0 44 -85,-0.3 -85,-0.4 -86,-0.1 -1,-0.0 0.485 97.4-111.7-115.6 -7.4 24.3 -6.4 -4.1 99 99 A G S S+ 0 0 0 -87,-0.3 -86,-0.1 -98,-0.0 34,-0.1 0.595 89.4 92.5 87.3 15.8 24.2 -10.1 -3.2 100 100 A I S > S+ 0 0 55 3,-0.1 34,-1.4 33,-0.1 4,-1.0 0.889 79.9 24.0-105.4 -70.1 27.6 -11.0 -4.6 101 101 A G H > S+ 0 0 10 32,-0.2 4,-1.9 33,-0.2 33,-0.5 0.997 128.2 24.3 -67.7 -72.5 30.7 -11.0 -2.4 102 102 A R H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 126.9 48.9 -63.1 -43.7 29.9 -11.4 1.2 103 103 A T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 110.2 51.3 -63.7 -44.8 26.6 -13.2 0.5 104 104 A G H X S+ 0 0 0 -4,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.884 108.7 52.2 -59.6 -38.9 28.3 -15.5 -2.0 105 105 A T H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.913 111.5 45.5 -63.9 -44.6 30.9 -16.4 0.6 106 106 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.921 113.2 49.9 -66.4 -42.8 28.3 -17.3 3.3 107 107 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.920 111.3 48.1 -62.4 -44.2 26.2 -19.3 0.8 108 108 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.909 110.5 52.4 -62.3 -40.6 29.2 -21.3 -0.4 109 109 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.861 106.2 54.6 -61.6 -37.3 30.2 -21.9 3.2 110 110 A Y H X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.909 108.9 47.1 -63.5 -43.6 26.7 -23.2 3.9 111 111 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 6,-1.0 0.894 109.0 55.0 -65.7 -40.9 27.0 -25.7 1.1 112 112 A I H X S+ 0 0 0 -4,-2.3 4,-1.1 4,-0.2 -2,-0.2 0.942 116.0 37.3 -58.3 -47.6 30.4 -26.9 2.3 113 113 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.935 123.2 39.7 -71.5 -47.1 29.1 -27.6 5.8 114 114 A T H < S+ 0 0 52 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.791 131.6 22.8 -76.3 -29.0 25.7 -29.0 4.9 115 115 A E H < S- 0 0 90 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.437 97.0-122.1-117.7 -1.8 26.6 -31.1 1.8 116 116 A G < + 0 0 40 -4,-1.1 -4,-0.2 -5,-0.5 -3,-0.1 0.781 49.9 170.0 66.6 27.2 30.3 -31.7 2.3 117 117 A L - 0 0 38 -6,-1.0 -1,-0.2 -9,-0.1 2,-0.2 -0.364 37.7-112.8 -71.1 150.1 31.1 -30.0 -1.0 118 118 A E >> - 0 0 105 1,-0.1 4,-2.4 -2,-0.1 3,-0.7 -0.517 35.6-105.6 -77.7 153.3 34.7 -29.3 -1.9 119 119 A V H 3> S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 118.7 52.6 -49.1 -44.1 35.5 -25.6 -2.0 120 120 A E H 3> S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 110.9 46.7 -63.5 -37.3 35.7 -25.4 -5.8 121 121 A S H <> S+ 0 0 51 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.911 110.9 52.2 -70.6 -41.9 32.3 -27.1 -6.2 122 122 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.915 111.8 46.6 -60.1 -43.9 30.7 -24.8 -3.6 123 123 A I H X S+ 0 0 21 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.936 113.1 47.6 -65.1 -46.8 32.0 -21.7 -5.4 124 124 A D H X S+ 0 0 92 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.903 108.9 57.2 -60.2 -40.8 30.9 -22.9 -8.8 125 125 A E H X S+ 0 0 62 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.910 111.7 39.7 -56.0 -48.1 27.5 -23.8 -7.4 126 126 A V H >X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-1.2 0.900 111.6 56.8 -72.6 -38.5 26.8 -20.3 -6.1 127 127 A R H 3< S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.784 97.0 65.1 -63.9 -24.5 28.3 -18.6 -9.2 128 128 A L H 3< S+ 0 0 122 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.801 116.0 27.7 -67.9 -27.8 25.9 -20.5 -11.4 129 129 A V H << S+ 0 0 59 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.584 135.8 31.7-106.3 -16.5 23.0 -18.6 -9.8 130 130 A R S >< S- 0 0 72 -4,-2.1 3,-2.1 -5,-0.1 -1,-0.2 -0.721 80.2-144.5-144.4 89.8 25.0 -15.5 -8.9 131 131 A P T 3 S+ 0 0 87 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.236 87.8 24.6 -52.8 137.0 27.8 -14.5 -11.2 132 132 A G T 3 S+ 0 0 32 1,-0.3 -5,-0.1 2,-0.1 -28,-0.1 0.326 81.2 160.6 90.2 -9.6 30.7 -13.0 -9.3 133 133 A A < + 0 0 0 -3,-2.1 -1,-0.3 -7,-0.1 -32,-0.2 -0.172 59.4 31.3 -48.5 138.3 29.9 -14.7 -6.0 134 134 A V S S- 0 0 1 -34,-1.4 -33,-0.2 -33,-0.5 -32,-0.1 0.921 72.2-176.2 70.5 94.6 32.9 -14.8 -3.7 135 135 A Q + 0 0 123 -34,-0.1 2,-0.2 -35,-0.0 -34,-0.1 0.865 48.0 51.7 -91.1 -44.0 34.9 -11.6 -4.6 136 136 A T S > S- 0 0 44 -65,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.587 72.8-121.2-104.3 164.5 38.1 -11.5 -2.6 137 137 A Y H > S+ 0 0 192 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.870 115.1 58.0 -63.6 -38.7 41.1 -13.7 -1.9 138 138 A E H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 107.9 46.3 -58.4 -43.4 40.3 -13.4 1.8 139 139 A Q H > S+ 0 0 1 -69,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.909 112.9 49.2 -66.6 -41.2 36.9 -14.9 1.1 140 140 A E H X S+ 0 0 76 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.909 112.8 47.4 -63.5 -42.9 38.4 -17.6 -1.1 141 141 A M H X S+ 0 0 125 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.879 108.6 55.9 -64.9 -39.9 40.9 -18.5 1.6 142 142 A F H X S+ 0 0 11 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.886 105.8 51.5 -59.6 -40.9 38.2 -18.5 4.2 143 143 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.853 107.6 50.1 -67.7 -37.2 36.2 -21.1 2.2 144 144 A L H X S+ 0 0 103 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.895 111.2 51.4 -67.4 -36.9 39.1 -23.5 1.9 145 145 A R H X S+ 0 0 100 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.889 106.5 53.5 -65.2 -38.9 39.5 -23.2 5.6 146 146 A V H < S+ 0 0 0 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.907 108.9 49.5 -63.2 -40.0 35.8 -23.9 6.2 147 147 A E H >< S+ 0 0 60 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.932 112.7 46.6 -64.7 -44.1 36.2 -27.1 4.1 148 148 A G H 3< S+ 0 0 72 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.827 118.6 41.3 -67.2 -30.6 39.3 -28.2 6.1 149 149 A M T 3X S+ 0 0 53 -4,-2.2 4,-2.6 1,-0.2 3,-0.4 0.256 79.6 118.8 -99.7 11.4 37.6 -27.4 9.4 150 150 A R H <> S+ 0 0 67 -3,-1.0 4,-2.4 -4,-0.3 5,-0.2 0.869 76.0 45.5 -44.2 -54.5 34.2 -28.8 8.5 151 151 A K H > S+ 0 0 156 -4,-0.3 4,-2.1 -3,-0.2 -1,-0.2 0.883 113.7 50.5 -60.2 -39.9 34.1 -31.5 11.2 152 152 A S H > S+ 0 0 43 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.899 110.1 49.8 -65.3 -42.0 35.2 -29.0 13.9 153 153 A W H X S+ 0 0 12 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.939 110.8 48.6 -63.3 -46.9 32.6 -26.5 12.9 154 154 A L H X S+ 0 0 37 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.903 110.9 51.5 -60.6 -41.3 29.8 -29.0 13.0 155 155 A K H < S+ 0 0 124 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.923 114.1 43.0 -62.5 -42.7 30.9 -30.2 16.4 156 156 A N H >< S+ 0 0 65 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.808 111.7 54.2 -74.4 -29.3 31.0 -26.7 17.8 157 157 A I H 3< S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.882 116.2 37.6 -70.5 -38.2 27.7 -25.7 16.2 158 158 A Y T 3< S+ 0 0 139 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 0.182 76.0 140.2-101.3 16.5 25.8 -28.7 17.7 159 159 A S < + 0 0 84 -3,-0.5 2,-0.2 -4,-0.1 -3,-0.1 -0.468 33.0 165.1 -61.0 118.3 27.5 -28.8 21.1 160 160 A N 0 0 135 -2,-0.4 -2,-0.1 0, 0.0 -1,-0.0 -0.642 360.0 360.0-127.8-174.1 24.6 -29.5 23.4 161 161 A S 0 0 171 -2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.351 360.0 360.0 -75.3 360.0 23.7 -30.7 26.9