==== 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 29-JAN-02 1KWK . COMPND 2 MOLECULE: BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.HIDAKA,S.FUSHINOBU,N.OHTSU,H.MOTOSHIMA,H.MATSUZAWA,H.SHOUN . 644 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 8.7 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 39 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 2 1 2 1 0 1 2 1 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 2 6 3 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 PARALLEL BRIDGES PER LADDER . 4 3 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 0 0 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 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 99 0, 0.0 346,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.9 44.4 6.9 34.9 2 2 A L E +a 347 0A 3 25,-0.4 27,-3.0 344,-0.2 28,-1.2 -0.873 360.0 166.2-118.6 150.1 41.5 9.3 34.4 3 3 A G E -ab 348 30A 0 344,-2.5 346,-2.0 -2,-0.3 2,-0.3 -0.745 17.7-140.9-143.4-169.5 39.7 10.6 31.3 4 4 A V E -ab 349 31A 0 26,-1.3 28,-2.1 344,-0.3 2,-0.6 -0.985 20.6-116.2-161.1 153.3 36.6 12.3 30.0 5 5 A C E - b 0 32A 0 344,-3.0 347,-2.3 -2,-0.3 346,-0.5 -0.844 40.2-170.4 -94.5 124.2 34.1 12.3 27.2 6 6 A Y - 0 0 4 26,-2.7 28,-0.3 -2,-0.6 3,-0.1 -0.906 22.3-160.5-122.9 145.8 34.3 15.5 25.2 7 7 A Y > + 0 0 2 -2,-0.3 3,-2.4 1,-0.2 4,-0.4 -0.699 12.9 172.6-126.7 80.7 32.2 17.0 22.5 8 8 A P G > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.879 80.0 64.5 -50.6 -41.6 34.2 19.6 20.5 9 9 A E G 3 S+ 0 0 36 1,-0.3 4,-0.1 -3,-0.1 44,-0.0 0.458 95.7 58.4 -64.9 -2.6 31.3 19.9 18.1 10 10 A H G < S+ 0 0 58 -3,-2.4 -1,-0.3 2,-0.1 -4,-0.0 0.561 104.6 54.0-102.8 -10.7 29.1 21.3 20.8 11 11 A W S < S- 0 0 32 -3,-1.8 5,-0.1 -4,-0.4 344,-0.0 -0.872 94.7 -87.9-126.4 157.3 31.2 24.3 21.6 12 12 A P >> - 0 0 75 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.328 41.6-119.0 -58.7 139.5 32.8 27.3 19.8 13 13 A K H >> S+ 0 0 88 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.746 110.7 70.0 -52.8 -25.3 36.2 26.3 18.4 14 14 A E H 3> S+ 0 0 154 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.798 93.9 54.3 -63.8 -30.2 37.7 29.1 20.6 15 15 A R H <> S+ 0 0 95 -3,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.694 88.3 82.8 -77.5 -20.4 36.9 27.1 23.8 16 16 A W H S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.6 0.886 109.3 44.9 -66.8 -37.9 41.8 18.7 31.1 24 24 A R H ><5S+ 0 0 115 -4,-1.4 3,-0.5 3,-0.2 -2,-0.2 0.892 112.7 49.6 -72.0 -41.7 45.6 18.5 31.5 25 25 A E H 3<5S+ 0 0 94 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 106.0 57.1 -65.1 -37.6 45.7 20.6 34.7 26 26 A A H 3<5S- 0 0 8 -4,-2.3 -1,-0.2 -5,-0.1 358,-0.2 0.753 122.4-109.4 -64.8 -23.1 42.9 18.5 36.2 27 27 A G T <<5 + 0 0 39 -4,-0.6 -25,-0.4 -3,-0.5 -3,-0.2 0.606 66.2 149.2 103.7 15.3 45.1 15.5 35.7 28 28 A L < + 0 0 11 -5,-2.5 -1,-0.3 -6,-0.2 -25,-0.2 -0.496 23.2 179.2 -81.1 151.7 43.3 13.8 32.9 29 29 A S + 0 0 35 -27,-3.0 37,-3.1 1,-0.2 2,-0.3 0.566 61.1 51.8-126.1 -18.6 45.1 11.7 30.3 30 30 A H E -bc 3 66A 18 -28,-1.2 -26,-1.3 35,-0.2 2,-0.4 -0.940 54.3-173.3-126.9 147.9 42.5 10.3 28.0 31 31 A V E -bc 4 67A 1 35,-2.3 37,-3.5 -2,-0.3 2,-0.4 -0.992 10.2-153.4-142.1 129.6 39.7 11.9 26.0 32 32 A R E +bc 5 68A 2 -28,-2.1 -26,-2.7 -2,-0.4 2,-0.3 -0.870 26.8 155.7-104.8 135.5 36.9 10.3 23.9 33 33 A I E + c 0 69A 1 35,-2.0 37,-2.1 -2,-0.4 -26,-0.1 -0.955 37.2 44.1-151.0 165.9 35.3 12.1 21.0 34 34 A G > + 0 0 5 -28,-0.3 3,-1.3 -2,-0.3 35,-0.1 0.314 59.6 119.2 84.3 -4.1 33.4 11.6 17.7 35 35 A E T 3 S+ 0 0 0 1,-0.3 39,-0.5 2,-0.1 40,-0.5 0.745 89.5 33.4 -68.9 -21.5 30.8 8.9 18.4 36 36 A F T 3 S+ 0 0 43 1,-0.1 -1,-0.3 38,-0.1 3,-0.2 0.028 94.6 95.9-118.6 26.3 27.9 11.2 17.5 37 37 A A X> + 0 0 0 -3,-1.3 4,-2.1 1,-0.2 3,-0.8 0.207 40.7 108.5-104.5 17.1 29.6 13.3 14.9 38 38 A W H 3> S+ 0 0 0 37,-0.3 4,-2.3 34,-0.3 3,-0.3 0.948 81.2 51.3 -57.5 -50.4 28.6 11.7 11.6 39 39 A A H 34 S+ 0 0 48 36,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.695 114.4 45.6 -60.5 -19.3 26.2 14.6 10.6 40 40 A L H <4 S+ 0 0 77 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.736 113.0 48.2 -93.4 -28.3 29.2 17.0 11.2 41 41 A L H < S+ 0 0 3 -4,-2.1 8,-2.3 -3,-0.3 -2,-0.2 0.716 131.6 19.6 -81.8 -23.6 31.7 14.8 9.4 42 42 A E < + 0 0 2 -4,-2.3 -1,-0.2 -5,-0.2 6,-0.2 -0.532 65.3 160.4-147.7 73.3 29.4 14.5 6.4 43 43 A P S S+ 0 0 46 0, 0.0 36,-0.1 0, 0.0 5,-0.1 0.795 77.8 41.2 -64.9 -28.9 26.7 17.2 6.4 44 44 A E B > S-I 47 0B 116 3,-0.7 3,-2.1 -3,-0.1 2,-0.3 -0.956 107.6 -92.6-121.3 140.0 26.1 16.5 2.7 45 45 A P T 3 S+ 0 0 51 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.310 112.6 0.6 -53.7 107.8 26.1 13.0 1.1 46 46 A G T 3 S+ 0 0 49 -2,-0.3 2,-1.0 1,-0.2 -4,-0.0 0.220 101.6 114.1 98.0 -15.8 29.6 12.4 -0.0 47 47 A R B < -I 44 0B 171 -3,-2.1 -3,-0.7 2,-0.0 2,-0.4 -0.779 50.4-163.2 -95.0 98.9 31.1 15.7 1.2 48 48 A L - 0 0 51 -2,-1.0 2,-0.5 -6,-0.2 -6,-0.2 -0.677 9.8-171.6 -86.2 129.7 33.5 14.9 4.0 49 49 A E + 0 0 102 -8,-2.3 4,-0.3 -2,-0.4 3,-0.3 -0.812 18.5 159.5-122.8 89.3 34.6 17.8 6.3 50 50 A W > + 0 0 29 -2,-0.5 4,-3.0 1,-0.2 5,-0.3 0.439 47.1 103.9 -87.2 -1.9 37.4 16.6 8.6 51 51 A G H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 83.8 37.3 -44.9 -62.7 38.5 20.1 9.3 52 52 A W H > S+ 0 0 41 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.874 117.5 51.3 -63.0 -38.6 37.1 20.5 12.8 53 53 A L H > S+ 0 0 4 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.883 109.7 49.8 -67.8 -37.0 37.9 16.9 13.8 54 54 A D H X S+ 0 0 51 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.926 114.5 45.5 -64.9 -43.7 41.6 17.2 12.6 55 55 A E H X S+ 0 0 71 -4,-2.1 4,-3.3 -5,-0.3 -2,-0.2 0.904 111.8 50.7 -66.1 -44.3 41.9 20.5 14.6 56 56 A A H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.930 112.7 46.1 -61.0 -46.5 40.2 19.1 17.7 57 57 A I H X S+ 0 0 5 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.912 114.1 49.8 -62.4 -41.0 42.4 16.0 17.8 58 58 A A H X S+ 0 0 57 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.929 110.1 50.5 -62.0 -46.7 45.4 18.3 17.2 59 59 A T H X S+ 0 0 10 -4,-3.3 4,-0.6 2,-0.2 -2,-0.2 0.884 114.2 43.3 -59.7 -42.9 44.3 20.6 20.0 60 60 A L H ><>S+ 0 0 2 -4,-2.4 5,-1.7 1,-0.2 3,-1.2 0.922 112.1 53.6 -70.7 -42.8 44.0 17.7 22.4 61 61 A A H ><5S+ 0 0 35 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.867 99.4 63.8 -58.6 -38.1 47.2 16.1 21.3 62 62 A A H 3<5S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.764 100.8 51.2 -59.0 -27.6 49.1 19.4 21.9 63 63 A E T <<5S- 0 0 56 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.389 123.3-106.3 -90.8 4.4 48.3 19.1 25.6 64 64 A G T < 5S+ 0 0 61 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.781 70.1 149.3 77.8 27.8 49.7 15.6 25.7 65 65 A L < - 0 0 4 -5,-1.7 2,-0.5 -35,-0.0 -1,-0.3 -0.769 46.3-127.3 -97.0 138.9 46.2 13.9 25.9 66 66 A K E -c 30 0A 75 -37,-3.1 -35,-2.3 -2,-0.4 2,-0.4 -0.724 25.2-138.3 -86.5 128.1 45.5 10.5 24.4 67 67 A V E -cd 31 133A 0 65,-3.0 67,-2.4 -2,-0.5 68,-1.1 -0.712 11.6-161.5 -93.0 134.0 42.5 10.5 22.1 68 68 A V E -cd 32 135A 1 -37,-3.5 -35,-2.0 -2,-0.4 2,-0.4 -0.952 16.4-155.8-112.2 110.9 40.0 7.7 22.0 69 69 A L E -cd 33 136A 2 66,-2.3 68,-2.3 -2,-0.6 2,-0.4 -0.736 2.9-156.6 -92.6 134.1 38.0 7.9 18.8 70 70 A G E - d 0 137A 2 -37,-2.1 68,-0.2 -2,-0.4 70,-0.1 -0.897 21.6-120.1-109.4 137.2 34.5 6.4 18.5 71 71 A T - 0 0 0 66,-2.1 3,-0.4 -2,-0.4 49,-0.1 -0.532 23.4-132.3 -71.2 141.3 33.0 5.4 15.2 72 72 A P S > S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 -34,-0.3 0.026 70.6 114.8 -86.4 28.2 29.8 7.4 14.6 73 73 A T T 3 + 0 0 0 1,-0.2 -37,-0.1 3,-0.1 -38,-0.1 0.591 60.0 75.9 -75.1 -8.2 27.4 4.6 13.5 74 74 A A T 3 S+ 0 0 0 -39,-0.5 29,-1.5 -3,-0.4 30,-0.3 0.860 105.7 31.2 -70.2 -33.0 25.2 5.0 16.6 75 75 A T S < S- 0 0 22 -3,-0.8 -36,-0.4 -40,-0.5 -37,-0.3 -0.749 78.1-165.3-129.8 86.7 23.6 8.2 15.1 76 76 A P - 0 0 1 0, 0.0 28,-0.1 0, 0.0 5,-0.1 -0.426 34.8 -93.4 -71.7 144.4 23.4 8.2 11.3 77 77 A P >> - 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.129 29.3-117.2 -54.9 148.1 22.6 11.6 9.5 78 78 A K H 3> S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.838 114.9 56.4 -57.9 -33.8 19.0 12.5 8.7 79 79 A W H 3> S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 106.2 49.2 -67.5 -35.4 19.8 12.5 5.0 80 80 A L H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.887 111.9 49.3 -69.1 -38.8 21.2 8.9 5.1 81 81 A V H < S+ 0 0 4 -4,-1.9 7,-0.2 1,-0.2 -2,-0.2 0.892 111.5 48.9 -66.0 -41.8 18.0 7.8 6.9 82 82 A D H < S+ 0 0 97 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.869 111.1 51.0 -66.3 -37.1 15.8 9.6 4.3 83 83 A R H < S+ 0 0 131 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.974 121.8 29.6 -64.3 -55.1 17.8 7.9 1.5 84 84 A Y >< + 0 0 68 -4,-2.5 3,-1.7 1,-0.1 4,-0.3 -0.780 65.6 177.5-111.1 88.3 17.5 4.4 2.9 85 85 A P G > S+ 0 0 81 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.747 74.4 74.1 -59.5 -25.7 14.2 4.1 4.9 86 86 A E G 3 S+ 0 0 45 1,-0.2 68,-0.1 19,-0.0 23,-0.1 0.736 81.5 72.3 -60.9 -23.4 14.9 0.4 5.6 87 87 A I G < S+ 0 0 0 -3,-1.7 19,-1.3 -6,-0.2 -1,-0.2 0.853 75.4 95.2 -60.6 -37.5 17.6 1.5 8.1 88 88 A L S < S- 0 0 23 -3,-1.2 17,-0.2 -4,-0.3 16,-0.1 -0.321 78.6-123.9 -59.7 131.6 14.9 2.6 10.6 89 89 A P - 0 0 15 0, 0.0 8,-3.0 0, 0.0 2,-0.5 -0.307 12.0-136.1 -76.5 161.7 14.1 -0.1 13.1 90 90 A V B -J 96 0C 13 6,-0.2 61,-1.8 -2,-0.0 6,-0.2 -0.982 19.6-132.7-120.4 125.7 10.6 -1.5 13.9 91 91 A D > - 0 0 26 4,-2.4 3,-1.9 -2,-0.5 59,-0.1 -0.108 33.2 -95.4 -69.9 173.0 9.5 -2.0 17.5 92 92 A R T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 105,-0.0 0.776 125.2 62.4 -59.8 -27.2 7.8 -5.2 18.8 93 93 A E T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.632 120.3-109.7 -74.1 -14.5 4.5 -3.5 18.2 94 94 A G S < S+ 0 0 41 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.476 72.6 137.7 98.4 4.0 5.3 -3.4 14.5 95 95 A R - 0 0 151 1,-0.0 -4,-2.4 57,-0.0 2,-0.4 -0.641 54.3-125.2 -87.9 140.0 5.7 0.4 14.3 96 96 A R B -J 90 0C 94 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.0 -0.696 28.7-137.4 -82.3 128.4 8.5 1.9 12.3 97 97 A R - 0 0 119 -8,-3.0 2,-0.3 -2,-0.4 -9,-0.1 -0.280 18.3-134.8 -80.3 172.0 10.6 4.3 14.5 98 98 A R - 0 0 188 1,-0.1 3,-0.4 -10,-0.1 -1,-0.1 -0.797 17.2 -94.0-128.9 170.0 11.8 7.7 13.4 99 99 A F S S+ 0 0 82 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.312 81.6 88.8 -71.1 160.3 14.8 10.1 13.3 100 100 A G S S+ 0 0 49 1,-0.3 -1,-0.2 -2,-0.0 -22,-0.0 0.057 90.2 31.3 136.1 -28.9 15.0 12.6 16.2 101 101 A G S S- 0 0 46 -3,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.282 96.0 -80.2-120.1-111.1 16.9 10.8 19.0 102 102 A R S S+ 0 0 67 -3,-0.1 -27,-0.2 1,-0.1 -1,-0.1 -0.940 93.1 43.8-155.9 173.9 19.6 8.2 18.5 103 103 A R + 0 0 3 -29,-1.5 2,-1.6 -2,-0.3 -28,-0.2 0.768 63.2 153.3 53.7 29.4 20.2 4.5 17.7 104 104 A H + 0 0 8 -30,-0.3 2,-0.3 -28,-0.1 -1,-0.2 -0.433 38.6 92.0 -87.1 62.2 17.6 4.7 15.0 105 105 A Y - 0 0 2 -2,-1.6 2,-0.4 -17,-0.2 -17,-0.2 -0.988 69.2-119.9-151.0 156.8 19.0 1.9 12.9 106 106 A C - 0 0 3 -19,-1.3 6,-0.1 -2,-0.3 3,-0.1 -0.829 8.5-144.9-104.1 139.3 18.7 -1.9 12.4 107 107 A F S S+ 0 0 3 -2,-0.4 -1,-0.1 40,-0.3 114,-0.1 0.646 101.6 53.4 -72.4 -15.7 21.5 -4.4 12.9 108 108 A S S S+ 0 0 12 -21,-0.1 -1,-0.2 4,-0.0 5,-0.1 0.791 75.6 113.4 -88.7 -32.2 20.1 -6.5 10.0 109 109 A S > - 0 0 0 1,-0.2 4,-1.3 -22,-0.2 -22,-0.0 -0.180 52.4-160.5 -45.4 111.1 19.9 -3.8 7.4 110 110 A P H > S+ 0 0 58 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.812 90.4 56.6 -66.9 -29.2 22.4 -4.9 4.7 111 111 A V H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.924 105.3 49.1 -68.1 -44.5 22.5 -1.3 3.5 112 112 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.807 104.0 62.3 -65.5 -27.3 23.5 0.1 6.8 113 113 A R H X S+ 0 0 50 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.907 108.4 41.5 -62.8 -41.7 26.2 -2.5 7.0 114 114 A E H X S+ 0 0 95 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.872 112.8 52.8 -74.5 -37.5 27.8 -1.0 4.0 115 115 A E H X S+ 0 0 22 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.906 112.3 46.4 -63.5 -40.2 27.2 2.6 5.1 116 116 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.944 110.1 53.7 -65.7 -47.3 28.9 1.7 8.4 117 117 A R H X S+ 0 0 98 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.909 110.4 48.5 -52.1 -46.6 31.8 -0.0 6.6 118 118 A R H X S+ 0 0 74 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.973 113.5 41.6 -60.7 -60.6 32.4 3.1 4.5 119 119 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.871 116.4 50.2 -59.0 -38.1 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