==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-FEB-10 2X6R . COMPND 2 MOLECULE: TREHALOSE-SYNTHASE TRET; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.-N.SONG,T.-Y.JUNG,S.-M.YOON,M.-Y.LIM,S.-B.LEE,E.-J.WOO . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 68 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 0 1 0 2 0 4 2 3 4 7 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 9 4 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 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 2 A K 0 0 155 0, 0.0 72,-0.2 0, 0.0 115,-0.1 0.000 360.0 360.0 360.0 88.9 -4.2 8.4 43.6 2 3 A M + 0 0 1 70,-0.6 2,-0.3 1,-0.2 71,-0.2 0.974 360.0 173.3 72.1 59.4 -2.1 5.4 42.7 3 4 A Y E -A 72 0A 72 69,-1.5 69,-2.9 114,-0.0 2,-0.3 -0.689 30.1-119.5 -99.3 153.8 -4.7 2.7 43.5 4 5 A E E -A 71 0A 48 -2,-0.3 2,-0.4 67,-0.2 67,-0.2 -0.722 20.6-133.1 -93.3 140.1 -4.5 -1.0 42.9 5 6 A V E +A 70 0A 27 65,-2.9 65,-0.5 -2,-0.3 -1,-0.0 -0.744 32.6 161.9 -92.0 139.3 -7.0 -2.8 40.7 6 7 A K 0 0 157 -2,-0.4 -1,-0.1 63,-0.1 -2,-0.0 0.521 360.0 360.0-128.5 -21.6 -8.5 -6.0 42.0 7 8 A E 0 0 215 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.797 360.0 360.0-106.3 360.0 -11.6 -6.5 39.9 8 ! 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 9 14 A R 0 0 102 0, 0.0 2,-0.3 0, 0.0 54,-0.3 0.000 360.0 360.0 360.0 124.6 -9.1 -15.3 32.9 10 15 A K > - 0 0 87 1,-0.1 3,-1.9 52,-0.1 4,-0.4 -0.956 360.0-111.9-136.2 155.2 -6.8 -18.3 33.5 11 16 A L G > S+ 0 0 5 49,-0.4 3,-1.9 -2,-0.3 4,-0.3 0.818 114.7 65.0 -53.7 -34.7 -4.3 -20.3 31.5 12 17 A E G > S+ 0 0 147 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.805 87.9 70.4 -59.3 -29.3 -6.7 -23.3 31.5 13 18 A D G < S+ 0 0 57 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.733 103.7 41.9 -60.2 -22.3 -9.1 -21.2 29.5 14 19 A Y G X> S+ 0 0 0 -3,-1.9 4,-2.7 -4,-0.4 3,-0.7 0.396 82.2 104.5-106.9 2.0 -6.7 -21.5 26.5 15 20 A K H <> S+ 0 0 95 -3,-1.3 4,-2.8 -4,-0.3 7,-0.1 0.922 83.0 46.1 -47.6 -57.0 -5.8 -25.1 26.9 16 21 A S H 34 S+ 0 0 114 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.770 115.9 48.8 -60.6 -26.1 -7.9 -26.3 24.0 17 22 A I H <4 S+ 0 0 30 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.865 123.5 26.2 -83.6 -38.9 -6.6 -23.5 21.8 18 23 A I H < S- 0 0 20 -4,-2.7 4,-0.4 1,-0.1 -2,-0.2 0.588 105.5-124.4-102.5 -11.1 -2.9 -23.9 22.4 19 24 A G X - 0 0 32 -4,-2.8 4,-1.5 -5,-0.4 3,-0.4 0.146 25.3 -85.5 84.6 155.6 -2.6 -27.6 23.3 20 25 A E H > S+ 0 0 137 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.896 121.3 64.0 -65.1 -42.9 -1.2 -29.3 26.4 21 26 A E H > S+ 0 0 176 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.846 110.5 39.6 -50.6 -36.9 2.4 -29.3 25.1 22 27 A E H > S+ 0 0 50 -3,-0.4 4,-2.0 -4,-0.4 -1,-0.2 0.798 110.5 57.7 -84.1 -31.9 2.4 -25.5 25.2 23 28 A V H X S+ 0 0 16 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.919 110.2 44.5 -63.7 -43.7 0.5 -25.2 28.4 24 29 A S H X S+ 0 0 63 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.885 109.2 56.6 -67.5 -39.3 3.1 -27.2 30.2 25 30 A K H X S+ 0 0 80 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.888 109.4 46.9 -59.0 -39.7 5.9 -25.3 28.5 26 31 A I H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.938 110.8 50.4 -67.7 -48.3 4.4 -22.1 29.9 27 32 A Q H X S+ 0 0 103 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.858 108.1 55.4 -58.9 -36.4 4.0 -23.5 33.4 28 33 A E H >X S+ 0 0 136 -4,-2.4 3,-1.7 1,-0.2 4,-0.7 0.974 106.1 47.5 -61.3 -57.6 7.6 -24.7 33.4 29 34 A K H 3< S+ 0 0 45 -4,-1.8 3,-0.2 1,-0.3 -1,-0.2 0.792 110.9 55.2 -54.7 -28.8 9.1 -21.2 32.6 30 35 A A H >< S+ 0 0 0 -4,-1.5 3,-1.8 1,-0.2 4,-0.4 0.712 87.8 79.4 -77.8 -22.1 6.9 -19.9 35.4 31 36 A E H X< S+ 0 0 101 -3,-1.7 3,-1.7 -4,-0.9 -1,-0.2 0.929 90.3 52.3 -50.0 -52.1 8.3 -22.3 37.9 32 37 A K T 3< S+ 0 0 141 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.607 113.9 46.0 -61.9 -12.2 11.4 -20.2 38.4 33 38 A L T X S+ 0 0 2 -3,-1.8 3,-1.4 -4,-0.1 34,-0.3 0.305 77.8 141.4-115.8 8.4 9.1 -17.2 39.1 34 39 A K T < S+ 0 0 131 -3,-1.7 32,-0.2 -4,-0.4 31,-0.1 -0.168 75.6 4.3 -53.5 140.4 6.5 -18.7 41.5 35 40 A G T 3 S+ 0 0 56 30,-2.6 -1,-0.2 1,-0.2 31,-0.1 0.196 97.4 129.9 71.6 -19.8 5.4 -16.4 44.3 36 41 A R < - 0 0 111 -3,-1.4 31,-2.1 1,-0.1 2,-0.5 -0.355 62.6-113.4 -69.8 148.3 7.5 -13.5 42.9 37 42 A S E -b 67 0A 6 29,-0.1 87,-1.6 -3,-0.1 2,-0.5 -0.708 29.0-177.0 -87.1 126.7 5.8 -10.1 42.5 38 43 A F E -bc 68 124A 1 29,-1.6 31,-1.5 -2,-0.5 2,-0.4 -0.890 16.1-165.2-124.1 93.6 5.4 -8.8 38.9 39 44 A V E -bc 69 125A 0 85,-2.7 87,-3.3 -2,-0.5 2,-0.4 -0.687 8.5-163.7 -92.3 136.1 3.9 -5.4 39.1 40 45 A H E -bc 70 126A 0 29,-3.0 31,-2.8 -2,-0.4 2,-0.4 -0.908 5.1-170.3-114.5 139.7 2.3 -3.5 36.2 41 46 A V E +bc 71 127A 0 85,-2.4 87,-3.3 -2,-0.4 31,-0.2 -0.982 17.9 144.4-136.8 125.3 1.6 0.3 36.3 42 47 A N E -b 72 0A 4 29,-1.8 31,-1.9 -2,-0.4 3,-0.1 -0.581 53.4 -98.2-136.7-160.4 -0.4 2.3 33.7 43 48 A S S S+ 0 0 16 1,-0.2 2,-0.3 29,-0.2 29,-0.1 0.323 90.6 10.9-114.5 9.2 -2.7 5.3 33.7 44 49 A T - 0 0 58 27,-0.1 -1,-0.2 1,-0.1 29,-0.1 -0.902 41.7-152.1-179.4 151.1 -6.2 3.8 33.5 45 50 A S S S+ 0 0 9 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.304 75.1 83.9-113.0 5.8 -8.2 0.6 33.9 46 51 A F S S+ 0 0 161 2,-0.0 5,-0.2 6,-0.0 6,-0.2 -0.753 78.9 13.6-110.3 157.4 -11.1 1.5 31.6 47 52 A G S S- 0 0 67 -2,-0.3 5,-0.1 4,-0.1 -3,-0.0 -0.229 93.8 -57.0 77.6-170.9 -11.5 1.3 27.8 48 53 A G S > S+ 0 0 53 3,-0.1 3,-0.9 4,-0.1 2,-0.4 0.067 93.2 59.9 -90.2-156.1 -9.2 -0.6 25.5 49 54 A G T 3> S- 0 0 53 1,-0.2 4,-1.3 2,-0.2 5,-0.1 -0.587 117.8 -1.7 79.0-129.9 -5.5 -0.4 24.9 50 55 A V H 3> S+ 0 0 18 -2,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.836 136.4 52.2 -67.6 -34.3 -3.2 -1.1 27.9 51 56 A A H <> S+ 0 0 1 -3,-0.9 4,-2.4 -5,-0.2 -1,-0.2 0.925 106.8 51.9 -68.2 -44.6 -6.2 -1.6 30.3 52 57 A E H 4 S+ 0 0 82 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.845 113.6 46.6 -59.8 -34.5 -7.8 -4.2 28.0 53 58 A I H >X S+ 0 0 42 -4,-1.3 4,-2.7 1,-0.2 3,-1.2 0.933 111.6 48.4 -73.9 -48.3 -4.5 -6.0 27.9 54 59 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.826 99.9 66.7 -63.7 -32.5 -3.9 -5.9 31.7 55 60 A H H 3< S+ 0 0 77 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.749 116.4 27.7 -61.3 -22.3 -7.5 -7.1 32.5 56 61 A S H <> S+ 0 0 6 -3,-1.2 4,-1.4 -4,-0.4 -2,-0.2 0.751 121.1 52.1-107.0 -34.8 -6.5 -10.5 30.9 57 62 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.899 106.2 51.9 -70.8 -43.8 -2.8 -10.6 31.5 58 63 A V H X S+ 0 0 15 -4,-2.3 4,-1.9 2,-0.2 10,-0.3 0.954 114.3 42.2 -59.8 -52.1 -2.8 -9.9 35.2 59 64 A P H > S+ 0 0 47 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.865 114.6 54.4 -62.8 -33.0 -5.3 -12.7 36.0 60 65 A L H < S+ 0 0 0 -4,-1.4 4,-0.4 2,-0.2 -49,-0.4 0.900 107.3 47.9 -67.5 -42.3 -3.5 -14.9 33.5 61 66 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 3,-0.9 0.870 111.3 50.9 -67.2 -36.8 -0.1 -14.4 35.2 62 67 A R H ><5S+ 0 0 132 -4,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.865 99.4 65.6 -67.8 -34.9 -1.6 -15.2 38.6 63 68 A S T 3<5S+ 0 0 52 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.677 102.7 49.1 -61.6 -17.3 -3.2 -18.3 37.3 64 69 A I T < 5S- 0 0 16 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.124 129.4 -90.3-110.2 20.8 0.4 -19.7 36.8 65 70 A G T < 5S+ 0 0 40 -3,-2.1 -30,-2.6 1,-0.3 2,-0.3 0.285 84.9 128.4 94.8 -11.2 1.7 -18.9 40.2 66 71 A I < - 0 0 3 -5,-1.8 2,-2.0 -32,-0.2 -1,-0.3 -0.639 61.5-129.2 -84.4 135.2 3.1 -15.4 39.6 67 72 A E E + b 0 37A 83 -31,-2.1 -29,-1.6 -34,-0.3 2,-0.3 -0.516 39.1 179.5 -82.3 73.9 2.0 -12.7 42.0 68 73 A A E + b 0 38A 1 -2,-2.0 2,-0.3 -10,-0.3 -29,-0.2 -0.575 3.8 179.3 -80.5 137.2 0.9 -10.2 39.4 69 74 A R E - b 0 39A 72 -31,-1.5 -29,-3.0 -2,-0.3 2,-0.4 -0.974 14.9-152.9-137.2 150.7 -0.5 -6.8 40.5 70 75 A W E -Ab 5 40A 5 -65,-0.5 -65,-2.9 -2,-0.3 2,-0.4 -0.979 11.0-175.3-132.0 121.6 -1.7 -3.8 38.6 71 76 A F E -Ab 4 41A 9 -31,-2.8 -29,-1.8 -2,-0.4 2,-0.5 -0.899 9.7-154.5-116.5 144.7 -1.7 -0.2 39.8 72 77 A V E -Ab 3 42A 2 -69,-2.9 -69,-1.5 -2,-0.4 -70,-0.6 -0.972 10.6-142.2-121.7 122.9 -3.1 2.9 38.2 73 78 A I - 0 0 1 -31,-1.9 2,-0.3 -2,-0.5 37,-0.1 -0.378 19.8-152.3 -75.8 161.1 -1.8 6.4 38.8 74 79 A E + 0 0 77 35,-0.2 39,-0.1 -2,-0.1 -30,-0.1 -0.909 20.7 155.3-132.9 161.8 -4.4 9.2 39.0 75 80 A G - 0 0 28 -2,-0.3 5,-0.0 38,-0.0 35,-0.0 -0.978 41.8 -76.2-174.4 167.4 -4.3 12.9 38.3 76 81 A P >> - 0 0 58 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.211 50.8-101.8 -70.5 165.3 -6.3 16.0 37.3 77 82 A T H 3> S+ 0 0 95 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.863 122.1 63.9 -56.5 -36.0 -7.5 16.7 33.8 78 83 A E H 3> S+ 0 0 103 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.870 102.9 47.7 -55.9 -39.5 -4.6 19.2 33.4 79 84 A F H <> S+ 0 0 0 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.902 113.4 47.7 -68.8 -40.7 -2.2 16.3 33.9 80 85 A F H X S+ 0 0 66 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.692 105.2 58.3 -74.9 -17.5 -4.0 14.2 31.4 81 86 A N H X S+ 0 0 92 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.849 108.5 47.8 -76.4 -33.1 -4.1 17.1 28.9 82 87 A V H X S+ 0 0 11 -4,-1.3 4,-3.0 -5,-0.2 -2,-0.2 0.943 111.7 47.5 -69.7 -48.0 -0.4 17.1 29.1 83 88 A T H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.820 111.0 53.9 -62.8 -29.0 -0.1 13.4 28.6 84 89 A K H X S+ 0 0 106 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.912 110.0 45.7 -69.8 -43.1 -2.6 13.8 25.7 85 90 A T H X S+ 0 0 37 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.908 111.7 53.2 -64.6 -42.3 -0.3 16.4 24.1 86 91 A F H X S+ 0 0 5 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.905 107.3 52.0 -57.9 -44.7 2.7 14.1 24.8 87 92 A H H X S+ 0 0 57 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.960 113.5 41.9 -57.8 -54.4 0.9 11.2 23.0 88 93 A N H X>S+ 0 0 68 -4,-2.2 5,-2.0 1,-0.2 4,-1.1 0.913 115.1 51.9 -60.2 -43.4 0.2 13.3 19.9 89 94 A A H ><5S+ 0 0 0 -4,-3.0 68,-2.3 1,-0.2 3,-0.7 0.920 111.8 44.9 -59.7 -46.9 3.7 14.8 20.1 90 95 A L H 3<5S+ 0 0 0 -4,-3.1 65,-0.3 66,-0.3 -1,-0.2 0.766 107.1 61.7 -68.7 -24.6 5.3 11.3 20.3 91 96 A Q H 3<5S- 0 0 65 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.764 133.0 -86.8 -71.0 -25.9 3.0 10.3 17.5 92 97 A G T <<5S+ 0 0 32 -4,-1.1 2,-0.8 -3,-0.7 -3,-0.2 0.483 75.6 145.2 134.1 5.3 4.6 12.8 15.3 93 98 A N < - 0 0 68 -5,-2.0 3,-0.4 1,-0.2 -1,-0.2 -0.639 21.5-176.4 -77.6 112.5 2.9 16.2 15.7 94 99 A E S S+ 0 0 121 -2,-0.8 -1,-0.2 1,-0.2 -5,-0.1 0.651 71.6 70.6 -83.4 -16.8 5.7 18.8 15.3 95 100 A S S S+ 0 0 94 2,-0.1 -1,-0.2 62,-0.0 2,-0.1 0.771 79.4 96.4 -71.8 -24.5 3.6 21.9 16.0 96 101 A L - 0 0 40 -3,-0.4 2,-0.4 -11,-0.1 -11,-0.0 -0.352 63.3-151.2 -68.4 144.3 3.3 21.0 19.7 97 102 A K - 0 0 161 -2,-0.1 2,-0.9 62,-0.1 -2,-0.1 -0.960 9.0-139.2-123.4 135.2 5.7 22.5 22.2 98 103 A L - 0 0 20 -2,-0.4 2,-0.1 4,-0.1 -2,-0.0 -0.803 28.7-167.0 -94.4 105.7 7.0 21.1 25.5 99 104 A T > - 0 0 61 -2,-0.9 4,-2.0 1,-0.1 5,-0.1 -0.356 34.1-113.9 -88.7 169.4 7.1 23.8 28.1 100 105 A E H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.748 117.7 57.0 -71.9 -25.1 8.7 23.9 31.5 101 106 A E H > S+ 0 0 148 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 107.1 47.8 -70.9 -44.0 5.2 24.1 33.1 102 107 A M H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.923 112.4 47.9 -61.8 -47.3 4.2 20.9 31.4 103 108 A K H X S+ 0 0 49 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.876 112.4 51.0 -61.8 -37.1 7.4 19.1 32.4 104 109 A E H X S+ 0 0 135 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.925 110.7 46.6 -66.6 -46.4 6.8 20.4 36.0 105 110 A L H X S+ 0 0 44 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.908 113.1 50.6 -62.2 -42.9 3.2 19.2 36.1 106 111 A Y H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.957 115.9 40.4 -59.6 -53.5 4.2 15.8 34.7 107 112 A L H X S+ 0 0 44 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 114.2 54.2 -61.5 -46.3 7.0 15.3 37.2 108 113 A N H X S+ 0 0 64 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.904 111.3 44.6 -55.3 -46.7 5.0 16.7 40.1 109 114 A V H X S+ 0 0 10 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.933 110.6 52.4 -66.7 -47.4 2.1 14.3 39.5 110 115 A N H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.900 109.0 53.4 -55.2 -40.0 4.3 11.2 39.1 111 116 A R H < S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.915 106.8 49.7 -61.2 -47.1 5.9 12.1 42.4 112 117 A E H >< S+ 0 0 90 -4,-1.8 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