==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAY-11 3AZS . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.H.WU,C.H.HUANG,T.P.KO,H.L.LAI,Y.MA,C.C.CHEN,Y.S.CHENG,J.R. . 616 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 28 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 2 2 0 2 3 1 0 0 0 0 0 0 2 2 2 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 8 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 4 A D > 0 0 123 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.0 0.2 -19.7 -3.2 2 5 A P H > + 0 0 17 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.761 360.0 57.2 -67.3 -25.6 3.5 -17.9 -3.0 3 6 A F H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.828 108.5 47.4 -72.7 -31.9 2.9 -16.1 -6.3 4 7 A E H > S+ 0 0 91 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.857 110.2 52.7 -73.3 -34.5 -0.2 -14.7 -4.7 5 8 A R H X S+ 0 0 31 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.908 106.6 53.6 -66.4 -34.6 1.8 -13.8 -1.6 6 9 A N H X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.887 107.0 50.6 -64.9 -37.7 4.3 -12.0 -4.0 7 10 A K H < S+ 0 0 148 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.8 54.3 -64.6 -38.4 1.5 -9.9 -5.4 8 11 A I H < S+ 0 0 65 -4,-1.9 78,-0.2 1,-0.2 -2,-0.2 0.838 107.7 50.2 -64.7 -35.4 0.5 -9.1 -1.7 9 12 A L H < S+ 0 0 0 -4,-1.9 36,-0.3 -5,-0.1 -2,-0.2 0.979 81.2 143.0 -67.7 -55.8 4.0 -7.9 -1.0 10 13 A G < + 0 0 22 -4,-2.4 270,-2.2 -5,-0.1 2,-0.4 -0.205 61.6 7.7 56.8-138.1 4.1 -5.6 -4.0 11 14 A R E S+a 280 0A 86 32,-0.2 34,-3.3 268,-0.2 35,-1.4 -0.632 81.3 163.7 -80.7 128.1 5.9 -2.3 -3.5 12 15 A G E -ab 281 46A 0 268,-1.7 270,-2.2 -2,-0.4 2,-0.4 -0.809 28.4-142.7-138.5 177.1 7.7 -2.0 -0.2 13 16 A I E -ab 282 47A 0 33,-1.3 35,-2.1 268,-0.3 2,-0.4 -0.999 18.9-126.7-144.2 139.4 10.2 -0.1 1.8 14 17 A N E - b 0 48A 0 268,-3.0 271,-2.7 -2,-0.4 2,-1.0 -0.703 7.8-149.4 -80.7 136.9 12.8 -1.2 4.3 15 18 A I + 0 0 0 33,-2.4 4,-0.4 -2,-0.4 3,-0.3 -0.840 42.9 168.8-103.3 87.8 12.8 0.6 7.7 16 19 A G + 0 0 0 -2,-1.0 270,-0.3 1,-0.2 33,-0.0 -0.434 42.6 47.5 -98.7 177.8 16.6 0.1 8.1 17 20 A N S S+ 0 0 32 -2,-0.1 12,-1.7 1,-0.1 10,-0.3 0.773 104.0 82.5 57.2 34.4 19.3 1.4 10.4 18 21 A A S > S+ 0 0 0 -3,-0.3 3,-1.4 10,-0.1 7,-0.3 0.456 95.3 8.6-126.2-102.3 16.8 0.5 13.1 19 22 A L T 3 S+ 0 0 2 -4,-0.4 33,-2.4 31,-0.3 5,-0.1 0.547 120.8 64.7 -71.0 -6.7 16.3 -2.9 14.7 20 23 A E T 3 S+ 0 0 2 31,-0.3 -1,-0.2 30,-0.1 31,-0.1 0.521 83.6 89.7 -94.1 -3.4 19.3 -4.4 12.9 21 24 A A S < S- 0 0 0 -3,-1.4 31,-0.3 29,-0.2 3,-0.2 -0.288 104.3 -95.2 -74.3 173.6 21.7 -2.2 14.8 22 25 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.906 113.6 8.3 -59.7 -41.1 23.1 -3.6 18.1 23 26 A N S > S- 0 0 27 -5,-0.1 3,-2.4 541,-0.0 4,-0.4 -0.996 99.3 -91.1-137.5 143.9 20.3 -1.7 19.8 24 27 A E T 3 S+ 0 0 48 -2,-0.3 6,-0.2 1,-0.3 -5,-0.2 -0.264 113.4 21.5 -55.8 129.7 17.4 0.2 18.2 25 28 A G T > S+ 0 0 29 4,-1.0 3,-1.7 -7,-0.3 -1,-0.3 0.084 90.7 106.6 98.9 -19.1 18.4 3.9 17.6 26 29 A D T < S+ 0 0 87 -3,-2.4 -2,-0.1 1,-0.3 -8,-0.1 0.843 86.3 41.1 -58.8 -34.9 22.1 3.2 17.6 27 30 A W T 3 S- 0 0 103 -4,-0.4 -1,-0.3 -9,-0.3 -3,-0.1 0.142 131.4 -87.6-102.7 16.7 22.3 3.6 13.9 28 31 A G S < S+ 0 0 65 -3,-1.7 2,-0.4 1,-0.1 -10,-0.1 0.229 94.8 90.8 106.7 -13.5 20.0 6.6 13.7 29 32 A V - 0 0 5 -12,-1.7 -4,-1.0 -11,-0.1 2,-0.4 -0.968 39.8-176.9-127.8 131.0 16.5 5.3 13.4 30 33 A V - 0 0 77 -2,-0.4 2,-1.3 -6,-0.2 -12,-0.1 -0.976 39.8-115.6-113.5 133.2 13.8 4.3 16.0 31 34 A I - 0 0 5 -2,-0.4 2,-0.2 -16,-0.1 -2,-0.0 -0.535 33.5-160.5 -78.2 99.8 10.7 2.9 14.4 32 35 A K > - 0 0 117 -2,-1.3 3,-1.5 1,-0.1 4,-0.5 -0.511 22.1-128.4 -78.0 141.7 7.9 5.4 15.2 33 36 A D T >> S+ 0 0 81 1,-0.3 3,-1.5 -2,-0.2 4,-0.5 0.876 106.9 61.3 -58.7 -35.8 4.4 4.2 15.0 34 37 A E H >> S+ 0 0 66 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.740 85.2 77.6 -66.6 -19.3 3.4 7.1 12.7 35 38 A F H <> S+ 0 0 4 -3,-1.5 4,-2.9 1,-0.2 -1,-0.3 0.866 89.2 57.8 -57.0 -32.1 5.9 5.9 10.1 36 39 A F H <> S+ 0 0 2 -3,-1.5 4,-2.1 -4,-0.5 -1,-0.2 0.863 105.8 47.0 -68.4 -33.3 3.4 3.2 9.2 37 40 A D H S+ 0 0 0 -4,-2.9 5,-1.8 -5,-0.2 4,-0.5 0.923 115.2 46.2 -68.4 -42.1 4.4 4.7 4.4 40 43 A K H ><5S+ 0 0 77 -4,-2.1 3,-1.5 -5,-0.2 -2,-0.2 0.937 111.4 52.3 -66.6 -42.9 0.9 3.4 3.7 41 44 A E H 3<5S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.850 103.3 59.0 -62.8 -30.7 -0.4 6.8 2.7 42 45 A A H 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.614 125.5 -99.8 -73.3 -13.2 2.4 7.1 0.2 43 46 A G T <<5S+ 0 0 41 -3,-1.5 -32,-0.2 -4,-0.5 -3,-0.2 0.455 71.4 143.1 113.3 0.4 1.3 4.0 -1.6 44 47 A F < - 0 0 3 -5,-1.8 -1,-0.3 1,-0.1 -32,-0.2 -0.447 37.3-156.2 -76.0 148.6 3.5 1.2 -0.3 45 48 A S S S+ 0 0 38 -34,-3.3 41,-2.8 -36,-0.3 2,-0.3 0.686 70.3 9.1 -93.9 -24.0 2.0 -2.3 0.2 46 49 A H E -bc 12 86A 0 -35,-1.4 -33,-1.3 39,-0.3 2,-0.4 -0.961 57.1-136.8-151.2 167.5 4.5 -3.6 2.7 47 50 A V E -bc 13 87A 0 39,-1.9 41,-2.4 -2,-0.3 2,-0.5 -0.957 14.7-144.9-125.6 145.9 7.5 -2.8 5.0 48 51 A R E -bc 14 88A 0 -35,-2.1 -33,-2.4 -2,-0.4 41,-0.2 -0.962 13.8-159.5-110.4 129.5 10.6 -5.0 5.5 49 52 A I E - c 0 89A 1 39,-3.2 41,-1.1 -2,-0.5 2,-0.2 -0.877 4.8-152.3-116.0 99.4 12.0 -4.9 9.0 50 53 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -31,-0.3 -0.514 21.4-172.8 -64.7 134.7 15.7 -5.9 9.4 51 54 A I - 0 0 0 -2,-0.2 41,-2.5 -31,-0.1 2,-1.6 -0.974 26.2-151.2-139.1 127.2 16.1 -7.4 12.9 52 55 A R > + 0 0 33 -33,-2.4 3,-1.3 -2,-0.4 4,-0.4 -0.534 28.9 163.6 -94.7 75.4 19.3 -8.4 14.7 53 56 A W G > + 0 0 0 -2,-1.6 3,-2.0 1,-0.2 -1,-0.2 0.832 61.5 74.0 -62.0 -30.0 17.7 -11.1 16.9 54 57 A S G > S+ 0 0 5 38,-0.3 3,-0.6 1,-0.3 -1,-0.2 0.756 93.7 49.9 -60.5 -25.4 21.1 -12.6 17.7 55 58 A T G < S+ 0 0 4 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.572 109.7 53.7 -90.1 -0.0 22.1 -9.8 20.0 56 59 A H G < S+ 0 0 11 -3,-2.0 10,-3.2 -4,-0.4 2,-0.3 -0.091 97.8 72.8-120.1 29.8 18.8 -10.1 21.9 57 60 A A B < S-I 65 0B 0 -3,-0.6 8,-0.3 8,-0.3 7,-0.2 -0.986 88.8 -96.6-139.6 147.4 18.9 -13.9 22.7 58 61 A Y - 0 0 10 6,-2.4 458,-0.2 -2,-0.3 457,-0.1 -0.289 22.6-134.5 -65.9 155.4 21.1 -15.8 25.2 59 62 A A S S+ 0 0 48 456,-3.0 457,-0.1 455,-0.1 -1,-0.1 0.500 85.2 64.4 -85.1 -10.4 24.3 -17.4 23.9 60 63 A F S > S- 0 0 66 455,-0.4 3,-2.7 4,-0.1 4,-0.4 -0.852 97.4 -41.2-116.4 151.4 23.6 -20.7 25.8 61 64 A P T 3 S+ 0 0 87 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.216 126.1 25.3 -54.3 143.4 20.8 -23.2 25.3 62 65 A P T 3 S- 0 0 99 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 -0.906 90.0-144.7 -83.9 22.4 17.9 -22.9 24.8 63 66 A Y < - 0 0 47 -3,-2.7 -4,-0.1 1,-0.2 2,-0.0 0.895 26.0-159.6 57.4 45.8 19.1 -19.5 23.3 64 67 A K - 0 0 68 -4,-0.4 -6,-2.4 -7,-0.2 2,-0.2 -0.298 14.8-121.9 -63.0 133.4 16.0 -17.8 24.6 65 68 A I B -I 57 0B 1 -8,-0.3 -8,-0.3 1,-0.1 -1,-0.1 -0.556 38.9-101.9 -73.9 137.4 15.1 -14.5 23.0 66 69 A M > - 0 0 3 -10,-3.2 4,-2.2 -2,-0.2 5,-0.2 -0.343 23.3-128.9 -67.1 138.2 14.9 -11.7 25.6 67 70 A D H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 102.8 50.7 -53.6 -51.4 11.4 -10.6 26.7 68 71 A R H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 112.5 48.4 -57.8 -42.3 11.7 -6.8 26.2 69 72 A F H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.924 108.8 51.3 -66.7 -43.8 13.0 -7.3 22.7 70 73 A F H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.914 110.2 51.4 -58.4 -41.5 10.3 -9.8 21.6 71 74 A K H X S+ 0 0 149 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.886 108.8 51.2 -62.9 -37.9 7.7 -7.3 22.9 72 75 A R H X S+ 0 0 47 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.925 109.8 48.0 -66.8 -44.3 9.2 -4.6 20.9 73 76 A V H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.927 109.9 53.4 -63.0 -42.1 9.2 -6.6 17.7 74 77 A D H X S+ 0 0 29 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.930 107.7 51.8 -54.8 -46.8 5.6 -7.5 18.4 75 78 A E H X S+ 0 0 116 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.889 111.8 46.0 -58.2 -40.3 4.8 -3.8 18.7 76 79 A V H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.940 113.4 47.5 -69.6 -50.0 6.4 -3.0 15.4 77 80 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.953 114.9 46.2 -57.2 -49.0 4.8 -5.8 13.5 78 81 A N H X S+ 0 0 77 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.864 107.3 57.7 -64.8 -31.9 1.4 -4.9 14.9 79 82 A G H X S+ 0 0 5 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.2 0.909 111.2 43.3 -63.5 -40.2 1.9 -1.3 14.2 80 83 A A H ><>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 3,-1.0 0.943 111.9 51.4 -70.0 -47.8 2.4 -2.1 10.5 81 84 A L H ><5S+ 0 0 30 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.843 99.3 67.3 -57.2 -35.5 -0.5 -4.6 10.3 82 85 A K H 3<5S+ 0 0 158 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.872 102.8 46.3 -53.9 -37.3 -2.8 -2.0 11.8 83 86 A R T <<5S- 0 0 32 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.406 122.2-104.1 -88.0 3.7 -2.4 0.1 8.7 84 87 A G T < 5S+ 0 0 51 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.678 73.1 144.8 82.9 13.1 -3.0 -2.8 6.3 85 88 A L < - 0 0 2 -5,-1.8 -1,-0.3 -39,-0.0 -39,-0.3 -0.678 48.9-129.9 -83.7 142.3 0.7 -3.1 5.4 86 89 A A E -c 46 0A 3 -41,-2.8 -39,-1.9 -2,-0.3 2,-0.4 -0.501 29.3-144.3 -78.9 162.8 2.1 -6.6 4.8 87 90 A V E -cd 47 126A 0 38,-2.6 40,-2.6 -41,-0.2 2,-0.5 -0.995 16.2-162.0-139.3 132.2 5.3 -7.1 6.8 88 91 A V E -cd 48 127A 0 -41,-2.4 -39,-3.2 -2,-0.4 2,-0.3 -0.959 14.3-175.8-111.2 127.2 8.6 -9.0 6.2 89 92 A I E +cd 49 128A 1 38,-2.3 40,-3.2 -2,-0.5 2,-0.2 -0.915 9.3 167.1-117.7 151.4 10.7 -9.8 9.2 90 93 A N E - d 0 129A 0 -41,-1.1 2,-0.5 -2,-0.3 -37,-0.2 -0.724 42.5 -99.6-142.4-169.8 14.1 -11.5 9.0 91 94 A I - 0 0 0 38,-0.6 41,-2.8 -2,-0.2 2,-0.3 -0.997 49.9-178.8-119.7 119.6 17.3 -12.4 10.9 92 95 A H + 0 0 8 -41,-2.5 -38,-0.3 -2,-0.5 3,-0.1 -0.927 50.8 11.0-127.9 143.8 19.9 -9.7 10.0 93 96 A H + 0 0 49 -2,-0.3 2,-1.0 39,-0.2 -1,-0.2 0.901 64.2 154.1 56.5 48.7 23.5 -9.1 10.9 94 97 A Y >> + 0 0 0 38,-0.2 4,-1.2 -3,-0.2 3,-0.6 -0.699 12.7 168.8 -99.5 80.0 24.2 -12.5 12.6 95 98 A E H 3> + 0 0 69 -2,-1.0 4,-2.2 1,-0.2 5,-0.2 0.823 66.1 61.4 -66.9 -30.6 27.9 -12.3 11.9 96 99 A E H 3> S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 102.6 53.5 -63.8 -34.1 29.0 -15.2 14.1 97 100 A L H <4 S+ 0 0 0 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.865 109.5 47.8 -67.3 -38.7 26.8 -17.5 12.0 98 101 A M H < S+ 0 0 2 -4,-1.2 39,-1.1 1,-0.2 40,-0.6 0.891 115.5 44.7 -68.2 -39.7 28.5 -16.4 8.8 99 102 A N H < S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.769 135.1 11.9 -75.5 -31.3 32.0 -16.8 10.3 100 103 A D X + 0 0 40 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 -0.600 64.7 170.9-147.8 80.9 31.3 -20.2 11.9 101 104 A P H > S+ 0 0 15 0, 0.0 4,-0.8 0, 0.0 7,-0.1 0.815 78.9 58.7 -62.2 -30.0 28.0 -21.8 10.7 102 105 A E H >4 S+ 0 0 163 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.938 107.7 45.0 -66.4 -45.1 28.8 -25.1 12.3 103 106 A E H 34 S+ 0 0 132 1,-0.2 4,-0.3 -7,-0.1 3,-0.2 0.872 120.8 39.1 -66.3 -35.4 29.0 -23.6 15.8 104 107 A H H 3X S+ 0 0 29 -4,-1.7 4,-2.7 -8,-0.2 -1,-0.2 0.404 84.4 100.0-101.0 5.9 25.9 -21.4 15.4 105 108 A K H S+ 0 0 106 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.870 114.7 50.5 -66.2 -31.6 21.6 -24.9 16.5 107 110 A R H > S+ 0 0 13 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.916 110.3 50.1 -67.3 -44.5 21.3 -21.4 17.9 108 111 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.921 112.3 47.4 -58.0 -43.9 20.2 -20.1 14.6 109 112 A L H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.851 108.5 54.7 -70.7 -30.3 17.5 -22.8 14.4 110 113 A A H X S+ 0 0 16 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.857 105.1 54.4 -68.3 -35.5 16.4 -22.1 18.0 111 114 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.949 110.8 44.7 -62.8 -46.3 15.9 -18.5 17.0 112 115 A W H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.874 109.5 55.5 -66.8 -34.1 13.6 -19.6 14.1 113 116 A K H X S+ 0 0 107 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.951 113.5 42.6 -61.3 -43.6 11.7 -22.1 16.3 114 117 A Q H X S+ 0 0 34 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.879 115.5 47.4 -70.2 -38.9 11.0 -19.2 18.7 115 118 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.939 113.9 46.9 -68.6 -45.4 10.1 -16.6 16.1 116 119 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.928 112.9 51.0 -61.8 -43.6 7.8 -19.1 14.2 117 120 A D H < S+ 0 0 57 -4,-2.4 4,-0.3 -5,-0.3 3,-0.2 0.915 111.3 48.8 -58.8 -40.9 6.2 -20.1 17.6 118 121 A R H < S+ 0 0 97 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.884 123.9 27.7 -65.7 -40.9 5.6 -16.4 18.4 119 122 A Y H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.344 82.0 109.4-109.3 7.1 4.0 -15.5 15.1 120 123 A K T 3< S+ 0 0 75 -4,-1.5 -1,-0.2 1,-0.3 41,-0.1 0.794 87.4 42.6 -56.5 -31.6 2.4 -18.6 13.8 121 124 A D T 3 S+ 0 0 132 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.344 90.0 109.6 -98.5 8.9 -1.1 -17.3 14.4 122 125 A Y S < S- 0 0 41 -3,-2.1 4,-0.1 1,-0.1 -3,-0.0 -0.376 84.1 -71.6 -73.4 164.0 -0.4 -13.8 13.1 123 126 A P > - 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