==== 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 2I6M . 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) . 8033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.7 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 . 5 3.1 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 1 2 0 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 87 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 138.6 16.9 -12.4 -5.3 2 2 A Y E -A 11 0A 28 9,-2.8 9,-2.5 128,-0.0 2,-0.4 -0.962 360.0-134.6-134.6 150.1 18.2 -15.9 -6.1 3 3 A W E -A 10 0A 31 -2,-0.3 7,-0.3 7,-0.3 3,-0.2 -0.841 12.9-177.4-102.2 137.3 17.9 -19.4 -4.6 4 4 A V E S+ 0 0 15 5,-3.0 2,-0.4 -2,-0.4 6,-0.2 0.764 92.5 21.4 -94.8 -38.6 20.9 -21.6 -4.2 5 5 A R E >> S-A 9 0A 56 4,-2.3 3,-3.2 0, 0.0 4,-2.0 -0.942 113.1 -94.6-132.7 105.4 18.8 -24.4 -2.9 6 6 A R T 34 S- 0 0 182 -2,-0.4 4,-0.1 1,-0.3 85,-0.1 0.166 95.8 -24.4 -26.1 106.4 15.2 -24.0 -4.0 7 7 A K T 34 S+ 0 0 77 1,-0.1 84,-3.6 83,-0.1 -1,-0.3 0.422 127.7 81.0 64.0 -0.3 13.3 -22.3 -1.2 8 8 A T T <4 S- 0 0 35 -3,-3.2 84,-2.0 1,-0.3 2,-0.3 0.834 105.2 -3.4 -99.0 -44.8 15.7 -23.4 1.5 9 9 A I E < +Ab 5 92A 1 -4,-2.0 -5,-3.0 82,-0.2 -4,-2.3 -0.970 69.9 143.3-152.9 134.4 18.5 -20.9 1.0 10 10 A G E -Ab 3 93A 0 82,-2.0 84,-1.8 -2,-0.3 -7,-0.3 -0.844 26.8-131.3-150.3-173.5 19.2 -18.0 -1.3 11 11 A G E +Ab 2 94A 0 -9,-2.5 -9,-2.8 -2,-0.3 2,-0.3 -0.847 19.9 161.6-142.5 178.4 20.7 -14.6 -1.5 12 12 A S E - b 0 95A 7 82,-1.1 84,-1.2 -2,-0.3 87,-0.2 -0.962 34.7 -95.8-179.0 178.0 20.2 -11.0 -2.6 13 13 A G - 0 0 22 85,-0.3 85,-0.3 -2,-0.3 84,-0.2 -0.289 63.9 -53.9 -99.9-169.5 21.5 -7.5 -2.2 14 14 A L - 0 0 18 83,-2.3 -1,-0.1 -2,-0.1 2,-0.1 -0.516 57.6-123.5 -71.5 125.3 20.1 -4.7 0.0 15 15 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.417 15.4-160.0 -69.6 143.6 16.4 -3.9 -0.6 16 16 A Y S S+ 0 0 165 -2,-0.1 2,-0.2 1,-0.1 -2,-0.0 0.799 71.0 20.3 -92.2 -35.3 15.5 -0.3 -1.6 17 17 A T S > S- 0 0 62 1,-0.1 4,-0.8 28,-0.0 -1,-0.1 -0.776 76.9-111.0-129.4 173.4 11.8 -0.3 -0.7 18 18 A E H > S+ 0 0 58 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.790 115.1 63.1 -76.7 -25.7 9.4 -2.3 1.4 19 19 A N H > S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 98.9 54.8 -64.8 -35.8 7.7 -3.6 -1.8 20 20 A E H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.858 106.7 51.6 -65.4 -32.1 11.0 -5.4 -2.6 21 21 A I H X S+ 0 0 0 -4,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.852 106.8 52.3 -71.5 -34.8 10.8 -7.0 0.8 22 22 A L H X S+ 0 0 74 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.824 103.3 59.5 -70.6 -27.5 7.3 -8.2 0.1 23 23 A E H X S+ 0 0 123 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.906 103.5 51.3 -65.0 -39.2 8.6 -9.6 -3.1 24 24 A W H X>S+ 0 0 15 -4,-1.3 5,-2.3 1,-0.2 4,-0.8 0.932 108.1 52.0 -60.2 -47.6 11.0 -11.8 -1.0 25 25 A R H ><5S+ 0 0 122 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.889 107.3 50.9 -57.3 -42.2 8.1 -12.9 1.1 26 26 A K H 3<5S+ 0 0 193 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 106.5 57.9 -66.7 -28.1 6.1 -14.0 -2.0 27 27 A E H 3<5S- 0 0 77 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.647 129.0 -94.9 -75.3 -17.9 9.2 -15.9 -3.1 28 28 A G T <<5S+ 0 0 16 -3,-1.0 -3,-0.2 -4,-0.8 2,-0.2 0.471 71.3 151.5 115.9 4.3 9.2 -18.0 0.1 29 29 A V < + 0 0 1 -5,-2.3 -1,-0.3 1,-0.2 63,-0.2 -0.493 5.7 158.2 -69.9 136.8 11.6 -16.0 2.3 30 30 A K + 0 0 92 61,-3.0 31,-1.6 1,-0.4 2,-0.3 0.531 62.5 34.8-130.6 -25.6 10.8 -16.4 6.0 31 31 A R E -cd 61 92A 10 60,-2.2 62,-2.3 29,-0.2 2,-0.5 -0.993 66.2-153.6-136.6 142.7 14.1 -15.5 7.8 32 32 A V E -cd 62 93A 0 29,-2.5 31,-1.9 -2,-0.3 2,-0.8 -0.964 8.0-157.9-127.1 124.9 16.8 -13.0 6.8 33 33 A L E -cd 63 94A 0 60,-3.2 62,-2.3 -2,-0.5 2,-0.6 -0.880 20.6-154.9 -96.3 111.7 20.5 -13.0 7.7 34 34 A V E +cd 64 95A 0 29,-2.8 31,-2.8 -2,-0.8 62,-0.2 -0.813 21.2 169.4 -94.0 116.1 21.6 -9.3 7.3 35 35 A L + 0 0 0 60,-2.5 32,-2.9 -2,-0.6 61,-0.2 0.672 39.0 98.8-102.3 -22.1 25.3 -8.9 6.6 36 36 A P S S- 0 0 0 0, 0.0 2,-0.1 0, 0.0 29,-0.1 -0.240 76.2-104.1 -67.7 162.6 26.0 -5.3 5.6 37 37 A E > - 0 0 60 30,-0.2 4,-2.2 29,-0.1 3,-0.5 -0.353 36.7 -99.2 -78.0 164.2 27.4 -2.8 8.2 38 38 A D H > S+ 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.925 122.9 50.9 -48.7 -53.4 25.2 -0.2 9.8 39 39 A W H > S+ 0 0 131 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.835 108.9 51.3 -57.3 -36.0 26.3 2.6 7.5 40 40 A E H >> S+ 0 0 9 -3,-0.5 3,-0.7 2,-0.2 4,-0.5 0.941 112.5 45.7 -66.7 -46.3 25.6 0.5 4.4 41 41 A I H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-1.7 0.934 108.2 58.3 -59.8 -47.2 22.1 -0.3 5.6 42 42 A E H 3X S+ 0 0 74 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.735 89.9 72.2 -56.4 -25.8 21.6 3.3 6.5 43 43 A E H << S+ 0 0 139 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.841 116.4 20.9 -60.2 -33.2 22.2 4.4 2.9 44 44 A S H << S+ 0 0 40 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.662 138.8 30.7-107.5 -22.2 18.9 2.9 2.0 45 45 A W H < S- 0 0 32 -4,-2.2 2,-2.0 -5,-0.1 -3,-0.2 0.393 86.0-135.3-121.2 3.4 17.0 2.9 5.3 46 46 A G S < S+ 0 0 57 -4,-2.3 2,-0.4 -5,-0.3 -4,-0.2 -0.129 85.9 38.9 73.5 -44.5 18.4 5.8 7.3 47 47 A D > - 0 0 77 -2,-2.0 4,-2.0 -6,-0.2 5,-0.1 -0.996 69.5-141.9-142.1 134.2 18.7 3.7 10.5 48 48 A K H > S+ 0 0 43 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.908 105.0 48.1 -60.6 -45.4 19.8 0.1 11.0 49 49 A D H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.821 109.0 54.6 -65.9 -31.4 17.3 -0.6 13.8 50 50 A Y H > S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 107.4 50.6 -68.4 -40.3 14.5 0.9 11.7 51 51 A Y H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.934 109.8 50.0 -61.2 -46.4 15.5 -1.5 8.8 52 52 A L H X S+ 0 0 23 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.842 108.6 51.8 -62.2 -34.7 15.4 -4.5 11.2 53 53 A S H X S+ 0 0 53 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.841 106.6 55.2 -70.6 -31.9 11.9 -3.5 12.5 54 54 A I H X S+ 0 0 4 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.900 108.7 46.9 -66.5 -42.0 10.7 -3.3 8.9 55 55 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 3,-0.7 0.961 115.2 46.4 -63.4 -48.7 11.8 -6.8 8.3 56 56 A K H ><5S+ 0 0 125 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.852 109.4 54.9 -61.5 -34.7 10.2 -7.9 11.5 57 57 A K H 3<5S+ 0 0 128 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.747 104.9 54.4 -70.9 -24.1 7.0 -5.9 10.6 58 58 A N T <<5S- 0 0 19 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.209 125.8 -98.1 -95.3 15.7 6.8 -7.8 7.3 59 59 A G T < 5S+ 0 0 38 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.677 84.8 124.0 80.4 18.3 6.9 -11.2 9.0 60 60 A L < - 0 0 1 -5,-2.2 -1,-0.3 -6,-0.2 -29,-0.2 -0.906 56.7-135.9-112.3 138.5 10.5 -12.0 8.5 61 61 A Q E -c 31 0A 91 -31,-1.6 -29,-2.5 -2,-0.4 2,-0.3 -0.834 27.6-157.6 -93.9 116.0 12.8 -12.8 11.4 62 62 A P E -c 32 0A 20 0, 0.0 2,-0.4 0, 0.0 -29,-0.2 -0.654 17.6-171.4 -99.0 156.1 16.1 -10.9 11.0 63 63 A L E -c 33 0A 41 -31,-1.9 -29,-2.8 -2,-0.3 2,-0.6 -0.967 15.5-149.3-139.4 119.1 19.6 -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 -0.833 24.4 164.8 -97.3 117.7 22.2 -8.9 12.0 65 65 A I - 0 0 14 -31,-2.8 2,-0.2 -2,-0.6 -28,-0.0 -0.811 30.2-144.6-132.6 88.5 25.8 -10.1 11.7 66 66 A P + 0 0 48 0, 0.0 -29,-0.1 0, 0.0 -31,-0.1 -0.355 20.7 179.9 -59.8 121.0 27.8 -7.2 10.3 67 67 A I - 0 0 1 -32,-2.9 -30,-0.2 -2,-0.2 3,-0.1 -0.993 29.3-118.1-126.6 128.6 30.7 -8.1 7.9 68 68 A P > - 0 0 64 0, 0.0 3,-2.7 0, 0.0 -33,-0.0 -0.373 45.3 -87.0 -65.0 141.5 32.9 -5.5 6.3 69 69 A D T 3 S+ 0 0 119 1,-0.3 3,-0.1 -2,-0.1 27,-0.0 -0.175 115.9 12.7 -50.6 134.8 32.8 -5.4 2.5 70 70 A G T 3 S+ 0 0 14 1,-0.3 69,-0.3 -3,-0.1 -1,-0.3 0.318 114.5 104.7 78.7 -8.5 35.2 -7.8 0.9 71 71 A G < - 0 0 7 -3,-2.7 -1,-0.3 67,-0.1 65,-0.1 -0.149 62.9-127.9 -95.1-169.9 35.7 -9.4 4.3 72 72 A V - 0 0 27 -3,-0.1 30,-0.1 -2,-0.0 67,-0.0 -0.907 33.7 -88.5-135.0 161.1 34.6 -12.6 6.0 73 73 A P - 0 0 3 0, 0.0 -6,-0.1 0, 0.0 2,-0.0 -0.360 44.6-111.1 -69.9 153.6 32.9 -13.3 9.4 74 74 A S > - 0 0 52 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.302 37.6-101.2 -70.8 169.6 35.1 -13.8 12.4 75 75 A D H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.903 126.1 50.4 -62.1 -38.2 35.1 -17.4 13.7 76 76 A S H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 110.7 48.5 -66.0 -41.2 32.7 -16.4 16.4 77 77 A Q H > S+ 0 0 45 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.881 108.3 54.7 -64.6 -38.3 30.3 -14.7 13.9 78 78 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.854 105.3 53.0 -64.5 -35.0 30.4 -17.8 11.7 79 79 A L H X S+ 0 0 61 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.921 113.2 43.8 -65.0 -42.8 29.3 -19.9 14.6 80 80 A T H X S+ 0 0 66 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.933 113.4 51.1 -66.5 -48.1 26.4 -17.6 15.2 81 81 A I H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.926 114.5 43.0 -55.0 -49.2 25.6 -17.4 11.4 82 82 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.858 111.0 53.0 -71.0 -34.9 25.6 -21.2 11.0 83 83 A K H X S+ 0 0 140 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.938 114.5 45.2 -63.7 -41.8 23.6 -21.9 14.2 84 84 A W H >X S+ 0 0 45 -4,-2.5 3,-0.7 2,-0.2 4,-0.7 0.961 114.1 46.3 -63.7 -53.6 21.0 -19.5 12.9 85 85 A L H 3< S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.840 115.5 47.0 -59.9 -35.0 21.0 -20.8 9.3 86 86 A L H 3< S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.629 94.3 75.7 -83.8 -14.1 20.8 -24.4 10.5 87 87 A S H << S+ 0 0 60 -4,-1.0 2,-0.4 -3,-0.7 -1,-0.2 0.819 110.8 19.0 -66.9 -32.2 18.0 -23.8 13.1 88 88 A E < - 0 0 108 -4,-0.7 -1,-0.2 -3,-0.4 -57,-0.0 -0.989 65.2-164.1-139.7 128.7 15.3 -23.6 10.4 89 89 A K > + 0 0 136 -2,-0.4 3,-0.5 -3,-0.1 2,-0.3 0.797 61.3 84.3 -87.6 -27.7 15.8 -25.0 6.9 90 90 A E T 3 S- 0 0 132 1,-0.2 -82,-0.3 -60,-0.0 -60,-0.1 -0.554 97.3 -3.0 -83.9 139.7 12.9 -23.3 4.9 91 91 A G T 3 S+ 0 0 0 -84,-3.6 -61,-3.0 -2,-0.3 -60,-2.2 0.795 73.4 168.3 57.7 40.6 13.1 -19.8 3.4 92 92 A N E < -bd 9 31A 0 -84,-2.0 -82,-2.0 -3,-0.5 2,-0.4 -0.705 11.0-172.3 -85.9 128.8 16.5 -18.6 4.5 93 93 A L E -bd 10 32A 1 -62,-2.3 -60,-3.2 -2,-0.5 2,-0.4 -0.977 6.0-168.8-121.2 133.6 17.7 -15.4 2.8 94 94 A V E +bd 11 33A 0 -84,-1.8 -82,-1.1 -2,-0.4 2,-0.3 -0.978 16.0 172.9-118.4 132.7 21.2 -14.0 3.2 95 95 A H E +bd 12 34A 0 -62,-2.3 -60,-2.5 -2,-0.4 -82,-0.2 -0.987 17.1 166.9-142.7 152.6 21.9 -10.5 1.9 96 96 A C - 0 0 2 -84,-1.2 -27,-0.0 -2,-0.3 -61,-0.0 -0.223 64.1 -64.3-129.4-136.8 24.7 -7.9 1.9 97 97 A V S S+ 0 0 59 -84,-0.2 -83,-2.3 -2,-0.1 -84,-0.0 0.939 129.9 7.5 -86.7 -56.5 24.8 -4.8 -0.3 98 98 A G S S- 0 0 45 -85,-0.3 -85,-0.3 -86,-0.1 -1,-0.0 0.648 93.0-127.8 -98.3 -17.2 25.1 -6.4 -3.7 99 99 A G S S+ 0 0 0 -87,-0.2 -86,-0.1 -98,-0.0 34,-0.1 0.663 84.5 91.2 78.7 18.4 24.6 -10.0 -2.7 100 100 A I S > S+ 0 0 45 3,-0.1 34,-1.7 33,-0.1 4,-0.7 0.840 86.0 23.0-107.9 -66.7 27.8 -11.1 -4.5 101 101 A G H > S+ 0 0 9 32,-0.2 4,-1.9 33,-0.2 33,-0.4 1.000 132.2 26.3 -69.1 -71.2 30.9 -11.1 -2.4 102 102 A R H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.916 127.4 45.3 -60.6 -49.0 29.8 -11.4 1.2 103 103 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 112.4 52.3 -62.0 -47.2 26.5 -13.2 0.5 104 104 A G H X S+ 0 0 0 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.850 107.8 52.4 -57.9 -36.4 28.2 -15.5 -1.9 105 105 A T H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.929 110.6 45.8 -66.9 -45.9 30.8 -16.4 0.7 106 106 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.909 113.2 50.8 -64.6 -40.4 28.2 -17.3 3.3 107 107 A L H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.931 110.4 47.8 -62.9 -46.0 26.2 -19.3 0.8 108 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.904 110.4 53.5 -61.6 -40.1 29.2 -21.3 -0.4 109 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.864 105.6 54.2 -61.0 -38.1 30.1 -22.0 3.3 110 110 A Y H X S+ 0 0 7 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.930 109.1 47.2 -61.4 -48.8 26.6 -23.3 4.0 111 111 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 6,-1.0 0.901 109.8 54.2 -60.3 -43.8 26.9 -25.8 1.1 112 112 A I H X S+ 0 0 0 -4,-2.3 4,-1.2 4,-0.2 -2,-0.2 0.942 115.9 37.8 -56.4 -50.1 30.3 -26.9 2.3 113 113 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.926 123.5 38.7 -69.7 -46.9 29.0 -27.7 5.8 114 114 A T H < S+ 0 0 50 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.755 131.3 25.0 -78.5 -26.5 25.6 -29.1 4.9 115 115 A E H < S- 0 0 85 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.449 97.3-122.6-117.5 -2.7 26.6 -31.1 1.8 116 116 A G < + 0 0 39 -4,-1.2 -4,-0.2 -5,-0.4 -3,-0.2 0.757 49.5 172.0 66.6 24.9 30.2 -31.7 2.4 117 117 A L - 0 0 36 -6,-1.0 -1,-0.2 -9,-0.1 2,-0.2 -0.310 37.1-112.5 -67.6 148.0 31.1 -30.0 -0.9 118 118 A E >> - 0 0 108 1,-0.1 4,-2.2 -2,-0.0 3,-0.9 -0.535 37.4-104.2 -75.3 150.1 34.7 -29.4 -1.8 119 119 A V H 3> S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.826 118.8 49.9 -44.1 -43.7 35.5 -25.6 -1.8 120 120 A E H 3> S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.840 109.8 49.1 -69.1 -34.7 35.5 -25.4 -5.6 121 121 A S H <> S+ 0 0 45 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.923 110.9 51.7 -68.8 -43.4 32.2 -27.2 -6.2 122 122 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.879 111.4 46.8 -60.1 -40.6 30.6 -24.9 -3.6 123 123 A I H X S+ 0 0 22 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.938 113.2 47.3 -68.6 -46.2 31.9 -21.8 -5.3 124 124 A D H X S+ 0 0 88 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.887 108.7 57.6 -61.2 -39.3 30.8 -22.9 -8.8 125 125 A E H < S+ 0 0 63 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.922 111.8 39.9 -56.3 -48.4 27.4 -23.8 -7.3 126 126 A V H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-1.1 0.884 112.7 55.1 -71.8 -37.8 26.8 -20.3 -6.1 127 127 A R H 3< S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.772 96.9 66.5 -66.4 -24.7 28.3 -18.7 -9.2 128 128 A L T 3< S+ 0 0 121 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.739 116.9 25.1 -68.9 -22.9 25.9 -20.6 -11.3 129 129 A V T <4 S+ 0 0 64 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.580 135.7 35.3-111.4 -20.3 23.0 -18.7 -9.8 130 130 A R S >< S- 0 0 68 -4,-2.3 3,-1.9 -5,-0.1 -1,-0.2 -0.788 82.0-143.1-137.8 92.6 25.0 -15.6 -8.8 131 131 A P T 3 S+ 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.257 86.3 20.5 -55.5 134.4 27.8 -14.6 -11.2 132 132 A G T 3 S+ 0 0 30 1,-0.2 -5,-0.1 2,-0.1 -32,-0.1 0.348 82.0 165.9 89.7 -7.4 30.8 -13.3 -9.3 133 133 A A < + 0 0 0 -3,-1.9 -32,-0.2 -7,-0.1 -1,-0.2 -0.080 59.1 30.9 -44.3 139.1 30.0 -14.9 -6.0 134 134 A V S S- 0 0 1 -34,-1.7 -33,-0.2 -33,-0.4 -32,-0.1 0.964 73.5-174.0 68.5 87.4 32.9 -14.8 -3.5 135 135 A Q + 0 0 120 4,-0.0 2,-0.1 5,-0.0 -34,-0.1 0.902 48.9 52.1 -80.7 -49.5 34.8 -11.7 -4.5 136 136 A T S > S- 0 0 46 -65,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.462 74.1-120.7 -98.0 167.5 38.1 -11.5 -2.5 137 137 A Y H > S+ 0 0 182 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.854 115.9 57.9 -67.0 -35.9 41.1 -13.7 -1.8 138 138 A E H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 108.1 45.9 -61.8 -38.7 40.2 -13.4 1.9 139 139 A Q H > S+ 0 0 1 -69,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.895 113.8 48.3 -71.7 -39.5 36.8 -14.8 1.1 140 140 A E H X S+ 0 0 74 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.893 112.3 48.7 -66.6 -41.0 38.2 -17.6 -1.0 141 141 A M H X S+ 0 0 129 -4,-3.1 4,-2.0 1,-0.2 3,-0.2 0.922 108.1 55.8 -63.5 -45.4 40.8 -18.5 1.6 142 142 A F H X S+ 0 0 11 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.885 104.7 52.9 -53.2 -44.5 38.1 -18.5 4.2 143 143 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.869 106.9 50.1 -63.9 -38.4 36.1 -21.1 2.2 144 144 A L H X S+ 0 0 101 -4,-1.4 4,-2.3 -3,-0.2 -1,-0.2 0.893 110.6 52.3 -66.8 -36.9 39.0 -23.5 1.9 145 145 A R H X S+ 0 0 103 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.890 105.6 53.8 -64.2 -39.9 39.4 -23.2 5.7 146 146 A V H < S+ 0 0 0 -4,-2.1 4,-0.3 2,-0.2 7,-0.2 0.923 109.2 48.1 -61.6 -43.1 35.8 -24.0 6.2 147 147 A E H >< S+ 0 0 62 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.923 112.6 49.6 -63.1 -42.7 36.1 -27.2 4.2 148 148 A G H 3< S+ 0 0 70 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.848 118.9 37.3 -64.3 -35.8 39.2 -28.1 6.2 149 149 A M T 3X S+ 0 0 47 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.201 81.0 120.4-100.4 14.0 37.5 -27.4 9.6 150 150 A R H <> S+ 0 0 63 -3,-1.0 4,-2.4 -4,-0.3 5,-0.2 0.885 76.4 45.6 -44.8 -52.9 34.1 -28.8 8.5 151 151 A K H > S+ 0 0 157 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.898 114.3 49.3 -61.3 -40.1 34.0 -31.5 11.2 152 152 A S H > S+ 0 0 60 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.886 110.7 50.0 -66.4 -40.2 35.1 -29.0 13.9 153 153 A W H X S+ 0 0 14 -4,-2.8 4,-2.7 -7,-0.2 5,-0.2 0.940 111.5 47.6 -63.9 -47.5 32.5 -26.5 12.9 154 154 A L H X S+ 0 0 38 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.913 111.6 51.3 -60.6 -42.4 29.7 -29.0 12.9 155 155 A K H < S+ 0 0 146 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.928 114.5 42.4 -60.7 -45.5 30.9 -30.3 16.4 156 156 A N H >< S+ 0 0 64 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.845 110.9 55.5 -70.8 -35.3 30.9 -26.7 17.8 157 157 A I H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 115.4 38.7 -63.9 -39.2 27.6 -25.7 16.1 158 158 A Y T 3< S+ 0 0 141 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 0.124 75.8 138.9-100.9 20.7 25.9 -28.7 17.8 159 159 A S < + 0 0 83 -3,-1.0 2,-0.2 2,-0.1 -3,-0.1 -0.542 33.1 155.6 -66.3 113.7 27.5 -28.7 21.2 160 160 A N 0 0 132 -2,-0.6 -2,-0.1 0, 0.0 -3,-0.0 -0.744 360.0 360.0-133.2-178.4 24.6 -29.4 23.5 161 161 A S 0 0 170 -2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.317 360.0 360.0 -69.7 360.0 23.6 -30.8 26.9