==== 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 2I6P . COMPND 2 MOLECULE: SULFOLOBUS SOLFATARICUS PROTEIN TYROSINE . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR H.M.CHU,A.H.J.WANG . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 8.2 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 . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 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 84 0, 0.0 2,-0.4 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 149.9 6.8 -1.9 21.8 2 2 A Y E -A 11 0A 27 9,-2.9 9,-2.8 128,-0.0 2,-0.4 -0.963 360.0-141.5-135.8 150.9 4.7 0.9 20.3 3 3 A W E -A 10 0A 21 -2,-0.4 7,-0.3 7,-0.3 3,-0.2 -0.847 9.2-175.9-104.5 136.8 2.1 1.5 17.6 4 4 A V E S+ 0 0 16 5,-2.1 2,-0.5 1,-0.5 6,-0.2 0.829 92.0 16.4 -91.4 -54.8 2.2 4.7 15.5 5 5 A R E >> S-A 9 0A 50 4,-2.1 3,-2.2 0, 0.0 4,-1.4 -0.985 109.6 -97.5-117.3 121.6 -1.0 3.8 13.8 6 6 A R T 34 S- 0 0 198 -2,-0.5 4,-0.1 1,-0.3 -3,-0.0 -0.203 96.8 -20.3 -51.7 104.4 -2.9 1.1 15.7 7 7 A K T 34 S+ 0 0 54 -2,-0.3 84,-3.1 85,-0.1 -1,-0.3 0.486 125.4 78.0 74.5 13.8 -2.1 -2.2 14.0 8 8 A T T <4 S- 0 0 44 -3,-2.2 84,-1.3 82,-0.3 2,-0.3 0.732 108.9 -4.0-110.6 -44.0 -0.9 -0.8 10.6 9 9 A I E < S+Ab 5 92A 0 -4,-1.4 -5,-2.1 82,-0.1 -4,-2.1 -0.904 71.9 144.0-156.1 122.7 2.6 0.4 11.5 10 10 A G E -Ab 3 93A 1 82,-2.4 84,-2.7 -2,-0.3 2,-0.3 -0.851 22.2-151.1-144.2-178.4 4.5 0.5 14.8 11 11 A G E +Ab 2 94A 0 -9,-2.8 -9,-2.9 -2,-0.3 2,-0.3 -0.952 15.5 167.5-155.4 174.0 8.0 0.0 16.1 12 12 A S E - b 0 95A 11 82,-1.3 84,-1.2 -2,-0.3 87,-0.2 -0.950 37.9 -85.4-169.4-178.2 10.4 -0.9 18.8 13 13 A G - 0 0 18 85,-0.3 85,-0.3 -2,-0.3 84,-0.2 0.109 67.5 -59.1 -83.4-154.8 14.0 -1.7 19.6 14 14 A L - 0 0 30 83,-2.7 -1,-0.1 81,-0.1 83,-0.1 -0.826 55.3-129.7 -94.5 124.6 15.8 -5.0 19.2 15 15 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 29,-0.0 -0.297 13.3-160.8 -69.3 157.4 14.2 -7.8 21.4 16 16 A Y + 0 0 156 1,-0.3 2,-0.3 29,-0.0 3,-0.0 0.761 69.5 34.7-109.9 -38.9 16.5 -9.9 23.6 17 17 A T S >> S- 0 0 62 1,-0.1 4,-0.8 0, 0.0 3,-0.7 -0.867 82.2-111.9-120.8 154.3 14.4 -13.0 24.3 18 18 A E H >> S+ 0 0 62 -2,-0.3 4,-1.5 1,-0.2 3,-1.4 0.850 112.4 65.6 -46.6 -44.8 11.9 -15.0 22.3 19 19 A N H >> S+ 0 0 115 1,-0.3 4,-1.4 2,-0.2 3,-1.2 0.919 95.4 56.3 -45.7 -54.2 9.0 -13.9 24.6 20 20 A E H <> S+ 0 0 73 -3,-0.7 4,-1.2 1,-0.3 -1,-0.3 0.800 106.0 52.1 -49.9 -32.4 9.4 -10.3 23.5 21 21 A I H S+ 0 0 10 -4,-1.2 5,-2.5 2,-0.2 4,-1.0 0.980 111.7 50.1 -63.5 -57.2 4.8 -8.6 19.2 25 25 A R H ><5S+ 0 0 122 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.877 114.6 46.7 -47.9 -43.1 2.8 -11.5 17.8 26 26 A K H 3<5S+ 0 0 162 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.832 107.6 53.1 -71.7 -36.2 0.3 -11.0 20.7 27 27 A E H 3<5S- 0 0 79 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.538 132.9 -88.0 -77.8 -4.3 -0.0 -7.2 20.3 28 28 A G T <<5S+ 0 0 16 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.459 72.4 152.9 116.9 1.0 -0.9 -7.8 16.7 29 29 A V < + 0 0 1 -5,-2.5 -1,-0.2 -6,-0.2 63,-0.2 -0.294 7.4 163.3 -64.5 147.8 2.4 -7.9 14.7 30 30 A K + 0 0 103 61,-2.2 31,-1.0 1,-0.5 2,-0.2 0.552 63.9 26.0-130.5 -43.1 2.4 -10.0 11.4 31 31 A R E -c 61 0A 14 60,-1.4 -1,-0.5 29,-0.3 62,-0.5 -0.718 65.0-153.7-120.5 171.8 5.4 -8.8 9.5 32 32 A V E -c 62 0A 0 29,-2.1 31,-2.6 -2,-0.2 2,-0.9 -0.927 13.7-156.8-154.0 126.1 8.8 -7.3 10.4 33 33 A L E -cd 63 94A 1 60,-2.2 62,-1.8 -2,-0.3 2,-0.5 -0.881 25.8-150.5-100.7 103.3 11.3 -5.0 8.7 34 34 A V E +cd 64 95A 0 29,-1.2 31,-2.5 -2,-0.9 62,-0.2 -0.667 20.3 175.8 -78.2 120.2 14.5 -5.8 10.6 35 35 A L + 0 0 0 60,-3.2 32,-1.6 -2,-0.5 61,-0.2 0.685 38.0 102.3-101.3 -22.8 16.7 -2.7 10.6 36 36 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 75.7-101.5 -57.5 168.1 19.8 -3.4 12.8 37 37 A E >> - 0 0 54 29,-0.2 4,-2.3 30,-0.1 3,-1.1 -0.684 36.0-104.0 -91.4 150.2 23.2 -4.3 11.3 38 38 A D H 3> S+ 0 0 73 -2,-0.3 4,-2.3 1,-0.3 3,-0.4 0.871 123.7 44.4 -32.9 -64.2 24.3 -7.9 11.2 39 39 A W H 3> S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.809 108.7 58.0 -56.0 -34.2 26.8 -7.3 14.1 40 40 A E H <4 S+ 0 0 13 -3,-1.1 4,-0.5 2,-0.2 -1,-0.2 0.934 110.6 43.5 -62.6 -44.3 24.1 -5.4 16.0 41 41 A I H >X S+ 0 0 0 -4,-2.3 3,-2.3 -3,-0.4 4,-1.8 0.990 114.5 47.6 -63.2 -60.9 21.8 -8.4 15.9 42 42 A E H 3X S+ 0 0 93 -4,-2.3 4,-1.2 1,-0.3 -1,-0.2 0.750 98.3 67.1 -55.3 -30.7 24.4 -11.0 16.7 43 43 A E H 3< S+ 0 0 156 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.785 113.7 35.9 -62.4 -19.9 25.9 -9.2 19.7 44 44 A S H <4 S+ 0 0 35 -3,-2.3 -2,-0.2 -4,-0.5 -1,-0.2 0.850 135.9 18.1 -98.3 -43.3 22.5 -9.8 21.2 45 45 A W H < S- 0 0 48 -4,-1.8 -3,-0.2 -28,-0.0 -2,-0.2 0.749 92.6-125.0-100.9 -30.0 21.5 -13.3 19.9 46 46 A G S < S+ 0 0 53 -4,-1.2 2,-0.3 -5,-0.3 -4,-0.2 0.005 91.2 55.3 105.9 -26.1 24.9 -14.7 18.8 47 47 A D > - 0 0 81 1,-0.2 4,-1.8 -6,-0.2 3,-0.3 -0.880 60.2-161.6-147.6 113.3 23.6 -15.4 15.3 48 48 A K H >> S+ 0 0 44 -2,-0.3 4,-2.2 1,-0.2 3,-1.1 0.962 98.7 44.8 -51.4 -64.4 22.0 -13.0 12.8 49 49 A D H 3> S+ 0 0 96 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.746 110.1 58.8 -54.3 -25.2 20.4 -15.6 10.6 50 50 A Y H 3> S+ 0 0 105 -3,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.857 105.8 47.4 -72.8 -36.8 19.3 -17.4 13.8 51 51 A Y H < S+ 0 0 120 -4,-1.6 3,-2.0 1,-0.2 -2,-0.2 0.817 107.9 68.5 -70.0 -30.2 10.0 -16.7 10.5 57 57 A K H 3< S+ 0 0 148 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.914 100.7 44.4 -55.5 -48.0 9.5 -19.3 13.2 58 58 A N T 3< S- 0 0 11 -4,-2.0 2,-1.1 -3,-0.1 -1,-0.3 0.217 125.6-104.5 -82.8 16.9 6.6 -17.4 14.8 59 59 A G S < S+ 0 0 41 -3,-2.0 -1,-0.1 1,-0.3 -29,-0.1 -0.564 76.4 138.0 98.1 -68.5 5.3 -16.8 11.3 60 60 A L - 0 0 6 -2,-1.1 -29,-0.3 1,-0.2 -1,-0.3 0.326 57.2-126.1 -15.5 115.9 6.3 -13.1 11.0 61 61 A Q E -c 31 0A 85 -31,-1.0 -29,-2.1 -3,-0.1 2,-0.5 -0.659 27.8-150.1 -76.8 110.5 7.8 -12.5 7.6 62 62 A P E -c 32 0A 27 0, 0.0 2,-0.6 0, 0.0 -29,-0.2 -0.747 17.7-175.1 -92.3 125.3 11.2 -11.0 8.2 63 63 A L E -c 33 0A 38 -31,-2.6 -29,-1.2 -2,-0.5 2,-0.7 -0.931 15.6-154.5-115.8 102.9 12.7 -8.5 5.7 64 64 A H E +c 34 0A 38 -2,-0.6 -29,-0.2 -31,-0.2 -31,-0.1 -0.712 21.2 168.1 -86.0 111.3 16.2 -7.7 6.8 65 65 A I - 0 0 23 -31,-2.5 2,-0.1 -2,-0.7 -2,-0.1 -0.916 28.4-137.7-126.1 101.3 17.4 -4.3 5.5 66 66 A P + 0 0 46 0, 0.0 -29,-0.2 0, 0.0 -31,-0.1 -0.333 25.0 174.3 -63.3 131.7 20.6 -3.1 7.2 67 67 A I - 0 0 1 -32,-1.6 3,-0.1 -2,-0.1 -30,-0.1 -0.952 30.7-124.6-141.1 113.6 20.9 0.5 8.2 68 68 A P > - 0 0 63 0, 0.0 3,-2.7 0, 0.0 -33,-0.0 -0.242 47.1 -78.1 -58.3 146.8 24.0 1.6 10.2 69 69 A D T 3 S+ 0 0 95 1,-0.3 3,-0.1 32,-0.0 27,-0.0 -0.158 118.1 6.5 -48.7 133.6 23.3 3.3 13.5 70 70 A G T 3 S+ 0 0 6 1,-0.2 69,-0.3 -3,-0.1 -1,-0.3 0.509 112.1 111.1 70.1 4.4 22.2 6.9 13.1 71 71 A G < - 0 0 7 -3,-2.7 -1,-0.2 67,-0.1 65,-0.1 -0.164 60.4-121.9 -97.0-167.1 22.1 6.4 9.3 72 72 A V - 0 0 46 -3,-0.1 30,-0.0 -2,-0.1 67,-0.0 -0.943 29.2 -90.9-137.8 158.2 19.4 6.3 6.7 73 73 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.307 45.0-114.1 -65.7 151.2 18.1 3.9 4.1 74 74 A S > - 0 0 48 1,-0.1 4,-2.9 4,-0.0 5,-0.3 -0.624 33.3-101.5 -86.3 149.4 19.6 4.2 0.6 75 75 A D H > S+ 0 0 84 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.819 126.1 43.7 -34.3 -48.8 17.3 5.3 -2.2 76 76 A S H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.977 113.1 49.8 -65.2 -56.5 17.0 1.7 -3.3 77 77 A Q H > S+ 0 0 39 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.920 111.1 50.6 -46.5 -54.6 16.6 0.3 0.2 78 78 A F H >X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.3 3,-1.0 0.939 110.3 46.3 -52.5 -56.0 13.9 2.8 1.0 79 79 A L H 3X S+ 0 0 55 -4,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.885 113.7 51.6 -54.8 -36.9 11.8 2.1 -2.1 80 80 A T H 3X S+ 0 0 51 -4,-2.6 4,-0.9 1,-0.2 -1,-0.3 0.758 109.3 51.9 -69.7 -24.9 12.4 -1.6 -1.3 81 81 A I H X S+ 0 0 0 -4,-3.1 2,-1.7 1,-0.3 3,-0.6 0.887 113.8 58.4 -62.6 -43.3 5.3 -1.8 4.0 86 86 A L T 3< S+ 0 0 25 -4,-4.0 -1,-0.3 1,-0.2 -4,-0.1 -0.478 99.1 61.5 -87.8 64.8 2.8 -0.5 1.4 87 87 A S T 34 S+ 0 0 66 -2,-1.7 -1,-0.2 -3,-0.3 -2,-0.1 0.083 111.4 26.7-176.3 32.2 1.7 -4.0 0.5 88 88 A E T <4 - 0 0 102 -3,-0.6 2,-0.6 -80,-0.0 -2,-0.1 0.296 68.0-173.0-179.5 0.6 0.2 -5.5 3.7 89 89 A K >< + 0 0 124 -4,-0.6 3,-0.9 2,-0.1 2,-0.0 0.082 60.3 81.9 31.1 -75.7 -1.0 -2.5 5.7 90 90 A E T 3 S+ 0 0 125 -2,-0.6 -82,-0.3 1,-0.2 -59,-0.1 -0.243 95.6 7.6 -61.2 137.4 -1.9 -4.6 8.8 91 91 A G T 3 S+ 0 0 2 -84,-3.1 -61,-2.2 1,-0.2 -60,-1.4 0.578 74.1 163.5 73.7 16.7 0.7 -5.7 11.4 92 92 A N E < -b 9 0A 0 -84,-1.3 -82,-2.4 -3,-0.9 2,-0.5 -0.453 12.1-177.3 -72.8 131.6 3.8 -3.8 10.4 93 93 A L E -b 10 0A 1 -62,-0.5 -60,-2.2 -2,-0.2 2,-0.6 -0.978 6.9-167.1-129.2 120.7 6.6 -3.5 12.9 94 94 A V E +bd 11 33A 0 -84,-2.7 -82,-1.3 -2,-0.5 2,-0.4 -0.924 18.2 172.1-105.4 122.6 9.8 -1.6 12.1 95 95 A H E +bd 12 34A 0 -62,-1.8 -60,-3.2 -2,-0.6 -82,-0.2 -0.989 17.1 163.8-137.3 146.2 12.6 -2.2 14.5 96 96 A S - 0 0 2 -84,-1.2 -61,-0.0 -2,-0.4 -27,-0.0 -0.235 60.5 -71.2-124.7-143.4 16.2 -1.3 14.8 97 97 A V S S+ 0 0 53 -84,-0.2 -83,-2.7 -2,-0.2 -1,-0.0 0.961 126.7 16.1 -86.5 -64.8 18.3 -1.5 18.0 98 98 A G S S- 0 0 51 -85,-0.3 -85,-0.3 -86,-0.1 -1,-0.1 0.790 93.0-137.4 -79.3 -27.2 17.1 1.2 20.2 99 99 A G S S+ 0 0 1 -87,-0.2 -86,-0.2 -86,-0.1 -88,-0.1 0.870 81.2 85.2 72.3 37.8 13.9 1.7 18.2 100 100 A I S S+ 0 0 43 -88,-0.1 34,-1.4 33,-0.1 4,-0.5 0.586 89.4 27.7-130.2 -59.8 14.2 5.5 18.4 101 101 A G S > S+ 0 0 2 32,-0.2 4,-2.7 3,-0.2 5,-0.2 0.989 127.9 27.4 -71.6 -80.8 16.4 6.9 15.6 102 102 A R H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.803 128.2 44.8 -55.2 -36.1 16.4 4.6 12.6 103 103 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.930 111.8 51.8 -75.7 -46.9 13.0 3.2 13.3 104 104 A G H > S+ 0 0 0 -4,-0.5 4,-2.6 1,-0.2 -2,-0.2 0.897 110.1 51.3 -54.6 -41.3 11.6 6.7 14.1 105 105 A T H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.944 111.1 45.6 -61.5 -50.9 13.0 7.9 10.8 106 106 A I H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.873 113.4 49.1 -62.9 -41.4 11.4 5.1 8.7 107 107 A L H >X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 3,-1.2 0.969 113.1 47.6 -62.1 -51.6 8.0 5.4 10.4 108 108 A A H 3X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.3 -2,-0.2 0.893 108.2 54.2 -57.0 -41.4 8.0 9.2 9.8 109 109 A S H 3X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -1,-0.3 0.737 108.9 51.8 -66.0 -19.2 9.1 8.7 6.2 110 110 A Y H - 0 0 100 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.292 36.6-103.3 -77.2 174.2 5.6 17.7 6.7 119 119 A V H > S+ 0 0 7 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.995 116.3 49.4 -62.7 -69.1 8.7 16.5 8.6 120 120 A E H > S+ 0 0 106 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.699 118.0 46.1 -45.7 -21.7 8.5 18.4 11.9 121 121 A S H > S+ 0 0 40 2,-0.2 4,-1.9 3,-0.1 -1,-0.3 0.874 110.8 47.2 -90.9 -45.5 4.9 17.2 12.1 122 122 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.940 115.2 49.7 -59.8 -43.3 5.4 13.5 11.2 123 123 A I H X S+ 0 0 20 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.923 107.2 54.4 -57.2 -47.8 8.2 13.6 13.7 124 124 A D H < S+ 0 0 86 -4,-0.9 4,-0.3 -5,-0.4 -1,-0.2 0.819 108.8 49.2 -56.0 -35.5 5.8 15.2 16.2 125 125 A E H >X S+ 0 0 56 -4,-1.9 3,-1.1 -3,-0.3 4,-0.6 0.955 112.6 45.4 -70.9 -51.1 3.4 12.3 15.7 126 126 A V H >X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.3 3,-1.3 0.878 109.5 54.6 -60.9 -40.6 6.0 9.6 16.1 127 127 A R H 3< S+ 0 0 113 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.658 94.3 73.8 -68.7 -11.1 7.4 11.2 19.2 128 128 A L H <4 S+ 0 0 117 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.834 118.4 13.6 -69.5 -33.1 3.9 11.2 20.5 129 129 A V H << S+ 0 0 64 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.594 137.8 44.2-111.9 -24.0 4.2 7.4 21.1 130 130 A R S >< S- 0 0 59 -4,-3.2 3,-1.3 -5,-0.2 -1,-0.2 -0.862 86.1-145.9-122.9 91.0 8.0 7.1 20.7 131 131 A P T 3 S+ 0 0 83 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.352 80.8 17.3 -62.9 136.4 9.6 10.0 22.7 132 132 A G T 3 S+ 0 0 37 1,-0.2 2,-0.1 -5,-0.1 -5,-0.1 0.654 82.9 179.3 80.5 17.4 12.8 11.4 21.1 133 133 A A < + 0 0 0 -3,-1.3 -1,-0.2 -10,-0.2 -32,-0.2 -0.327 54.5 24.8 -59.4 128.0 12.1 9.9 17.7 134 134 A V - 0 0 6 -34,-1.4 -33,-0.2 -2,-0.1 -32,-0.1 0.690 60.4-176.3 81.1 119.0 14.9 10.7 15.2 135 135 A Q + 0 0 110 1,-0.1 2,-0.3 0, 0.0 -34,-0.1 0.410 49.6 67.3-126.8 2.5 18.3 11.6 16.6 136 136 A T > - 0 0 24 1,-0.1 4,-2.1 -65,-0.1 5,-0.2 -0.961 67.0-132.2-133.9 149.1 20.7 12.6 13.7 137 137 A Y H > S+ 0 0 184 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.833 110.8 62.3 -59.4 -30.8 21.1 15.4 11.2 138 138 A E H > S+ 0 0 113 -68,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.957 105.2 44.2 -58.8 -51.5 21.6 12.7 8.7 139 139 A Q H > S+ 0 0 0 -69,-0.3 4,-2.4 1,-0.2 5,-0.2 0.884 111.7 52.0 -62.6 -40.9 18.1 11.4 9.3 140 140 A E H X S+ 0 0 87 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.906 107.7 53.4 -61.8 -40.7 16.5 14.8 9.3 141 141 A M H X S+ 0 0 117 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.873 110.5 49.1 -60.5 -38.8 18.2 15.5 5.9 142 142 A F H >X S+ 0 0 10 -4,-1.7 4,-2.7 2,-0.2 3,-0.8 0.993 106.2 50.9 -64.0 -67.2 16.6 12.3 4.6 143 143 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.3 5,-0.2 0.846 113.1 49.9 -38.7 -43.6 13.1 12.9 5.7 144 144 A L H 3X S+ 0 0 79 -4,-1.9 4,-1.2 2,-0.2 -1,-0.3 0.904 108.6 50.7 -63.0 -45.2 13.4 16.3 4.0 145 145 A R H << S+ 0 0 117 -4,-1.7 -2,-0.2 -3,-0.8 -1,-0.2 0.851 113.4 48.4 -61.7 -34.6 14.8 14.7 0.9 146 146 A V H >< S+ 0 0 0 -4,-2.7 3,-3.3 1,-0.2 -2,-0.2 0.983 105.7 52.9 -69.2 -60.4 11.7 12.4 1.0 147 147 A E H >< S+ 0 0 75 -4,-3.2 3,-0.7 1,-0.3 -1,-0.2 0.744 104.1 62.2 -47.4 -24.9 9.1 15.1 1.5 148 148 A G T 3< S+ 0 0 61 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.296 113.1 32.5 -87.9 10.6 10.6 16.6 -1.6 149 149 A M T <> + 0 0 56 -3,-3.3 4,-4.3 2,-0.1 5,-0.3 0.081 69.3 127.5-151.3 24.4 9.7 13.7 -3.7 150 150 A R H <> S+ 0 0 94 -3,-0.7 4,-0.9 1,-0.2 5,-0.1 0.737 81.4 57.3 -56.9 -19.1 6.5 12.5 -2.1 151 151 A K H > S+ 0 0 180 2,-0.2 4,-2.2 3,-0.1 3,-0.4 0.986 115.8 27.2 -74.1 -67.1 5.4 12.8 -5.7 152 152 A S H > S+ 0 0 45 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.833 114.1 67.8 -65.6 -33.5 7.9 10.5 -7.4 153 153 A W H X S+ 0 0 11 -4,-4.3 4,-1.8 1,-0.2 -1,-0.2 0.911 109.3 36.5 -52.3 -44.3 8.3 8.4 -4.2 154 154 A L H X S+ 0 0 38 -4,-0.9 4,-2.4 -3,-0.4 -2,-0.2 0.905 114.9 52.5 -76.3 -44.4 4.7 7.3 -4.8 155 155 A K H < S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.2 49.7 -57.1 -39.0 4.8 7.0 -8.5 156 156 A N H < S+ 0 0 63 -4,-3.6 3,-0.5 -5,-0.2 -1,-0.2 0.940 117.9 39.2 -61.8 -50.2 7.9 4.9 -7.9 157 157 A I H < S+ 0 0 27 -4,-1.8 2,-2.9 -5,-0.3 -2,-0.2 1.000 117.2 44.9 -63.4 -74.1 6.1 2.7 -5.4 158 158 A Y < 0 0 151 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.358 360.0 360.0 -73.2 65.2 2.6 2.4 -7.0 159 159 A S 0 0 138 -2,-2.9 -3,-0.1 -3,-0.5 -4,-0.0 -0.508 360.0 360.0-103.2 360.0 4.1 1.7 -10.4