==== 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 20-AUG-10 3AMG . 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,Y.S.CHENG,J.R.LIU,R.T.G . 602 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.7 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 . 39 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 2 0 4 2 0 0 0 0 0 0 0 2 2 2 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 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 . 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 2 A G 0 0 134 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 49.6 24.7 18.8 33.9 2 3 A V - 0 0 46 159,-0.1 3,-0.1 186,-0.1 161,-0.0 -0.796 360.0-132.9-109.3 147.9 25.7 15.3 32.6 3 4 A D > - 0 0 87 -2,-0.3 4,-1.3 1,-0.2 3,-0.2 -0.890 12.5-162.4-101.9 113.0 29.2 13.9 32.0 4 5 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.906 90.4 54.8 -57.9 -43.3 29.2 12.2 28.6 5 6 A F H > S+ 0 0 91 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.879 107.5 50.1 -58.8 -38.5 32.4 10.3 29.4 6 7 A E H > S+ 0 0 98 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.784 112.4 48.5 -68.9 -27.3 30.7 8.9 32.5 7 8 A R H X S+ 0 0 17 -4,-1.3 4,-2.2 -3,-0.4 -2,-0.2 0.797 104.7 59.5 -81.2 -31.9 27.8 8.0 30.3 8 9 A N H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.876 105.3 47.7 -66.0 -37.2 30.1 6.4 27.8 9 10 A K H < S+ 0 0 114 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.811 106.7 58.1 -73.3 -28.0 31.4 3.9 30.4 10 11 A I H < S+ 0 0 77 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.968 108.8 46.5 -60.8 -50.7 27.8 3.2 31.4 11 12 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.1 77,-0.2 0.921 88.0 146.9 -54.9 -51.3 27.2 2.1 27.8 12 13 A G < - 0 0 14 -4,-2.2 270,-1.8 -5,-0.1 2,-0.3 -0.050 56.5 -3.2 50.0-142.2 30.4 0.0 27.7 13 14 A R E S+a 282 0A 59 268,-0.2 34,-2.8 -4,-0.1 35,-1.1 -0.624 79.5 136.2 -85.3 140.0 30.6 -3.1 25.7 14 15 A G E -ab 283 48A 0 268,-2.5 270,-1.6 -2,-0.3 2,-0.3 -0.830 36.0-118.1-157.8-166.4 27.4 -4.2 23.9 15 16 A I E -ab 284 49A 0 33,-1.4 35,-2.2 268,-0.3 2,-0.2 -0.997 15.6-114.1-155.9 155.8 26.0 -5.5 20.6 16 17 A N E - b 0 50A 0 268,-2.0 271,-2.1 -2,-0.3 2,-0.6 -0.539 7.8-157.1 -83.9 144.0 23.7 -4.9 17.7 17 18 A I + 0 0 1 33,-1.7 4,-0.5 269,-0.2 3,-0.2 -0.867 41.8 161.2-119.5 86.2 20.6 -6.9 17.0 18 19 A G + 0 0 2 -2,-0.6 271,-0.2 1,-0.2 270,-0.2 -0.429 42.4 58.6-103.3-177.8 20.5 -6.0 13.3 19 20 A N S S+ 0 0 28 -2,-0.1 12,-1.5 1,-0.1 8,-0.3 0.853 103.4 82.1 62.4 30.6 18.9 -7.4 10.2 20 21 A A S > S+ 0 0 0 -3,-0.2 3,-1.3 32,-0.1 7,-0.4 0.363 98.4 7.1-126.2 -98.7 15.9 -6.7 12.4 21 22 A L T 3 S+ 0 0 2 -4,-0.5 33,-2.7 31,-0.3 5,-0.1 0.587 123.6 61.6 -73.2 -9.9 14.3 -3.3 12.7 22 23 A E T 3 S+ 0 0 0 31,-0.3 -1,-0.2 30,-0.1 31,-0.1 0.387 84.8 96.9 -96.7 6.5 16.4 -1.7 10.0 23 24 A A S < S- 0 0 0 -3,-1.3 31,-0.2 1,-0.1 3,-0.1 -0.519 100.1 -95.9 -86.0 159.6 15.0 -4.1 7.4 24 25 A P S S- 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.863 113.8 -2.0 -43.0 -39.5 12.1 -2.9 5.2 25 26 A N S > S- 0 0 25 -5,-0.1 3,-1.4 33,-0.0 4,-0.4 -0.966 101.5 -86.0-148.4 143.7 9.9 -4.7 7.7 26 27 A E T 3 S+ 0 0 51 -2,-0.3 -5,-0.1 1,-0.2 6,-0.1 -0.327 118.3 24.0 -57.3 128.2 11.1 -6.7 10.7 27 28 A G T > S+ 0 0 24 4,-0.7 3,-4.7 -7,-0.4 -1,-0.2 -0.277 87.9 106.5 110.1 -45.8 11.9 -10.2 9.6 28 29 A D T < S+ 0 0 85 -3,-1.4 -2,-0.1 1,-0.3 -8,-0.1 0.804 89.8 41.7 -31.6 -41.8 12.5 -9.3 5.9 29 30 A W T 3 S- 0 0 79 -4,-0.4 -1,-0.3 -9,-0.3 2,-0.3 0.131 124.9 -99.3-100.5 20.8 16.1 -9.9 6.7 30 31 A G S < S+ 0 0 62 -3,-4.7 2,-0.4 1,-0.1 -10,-0.1 -0.180 90.8 94.7 98.1 -42.9 15.8 -13.0 8.9 31 32 A V - 0 0 11 -12,-1.5 -4,-0.7 -2,-0.3 2,-0.5 -0.742 43.3-177.1 -95.5 132.7 16.0 -11.7 12.4 32 33 A V - 0 0 58 -2,-0.4 2,-0.6 -6,-0.1 -12,-0.1 -0.997 35.9-114.5-123.6 126.3 12.9 -10.9 14.5 33 34 A I - 0 0 5 -2,-0.5 2,-0.3 -16,-0.1 -2,-0.0 -0.502 31.8-163.5 -70.1 110.9 13.7 -9.5 18.0 34 35 A K > - 0 0 91 -2,-0.6 3,-0.7 1,-0.1 4,-0.5 -0.666 25.2-129.5 -91.5 148.2 12.6 -11.9 20.7 35 36 A D T > S+ 0 0 82 -2,-0.3 3,-1.1 1,-0.2 4,-0.3 0.857 108.0 62.5 -64.4 -33.3 12.2 -10.7 24.3 36 37 A E T >> S+ 0 0 82 1,-0.3 3,-2.2 2,-0.2 4,-1.5 0.782 85.2 75.7 -62.1 -30.0 14.3 -13.7 25.4 37 38 A F H <> S+ 0 0 5 -3,-0.7 4,-2.4 1,-0.3 -1,-0.3 0.866 87.3 60.8 -49.4 -40.5 17.3 -12.4 23.4 38 39 A F H <> S+ 0 0 3 -3,-1.1 4,-1.7 -4,-0.5 -1,-0.3 0.707 100.9 54.7 -63.0 -20.5 17.8 -9.8 26.1 39 40 A D H <> S+ 0 0 61 -3,-2.2 4,-2.9 -4,-0.3 5,-0.5 0.954 108.3 46.4 -76.0 -54.4 18.4 -12.6 28.6 40 41 A I H X S+ 0 0 28 -4,-1.5 4,-3.1 1,-0.2 -2,-0.2 0.968 114.6 48.5 -48.9 -62.9 21.1 -14.2 26.5 41 42 A I H <>S+ 0 0 0 -4,-2.4 5,-1.9 2,-0.2 4,-0.3 0.892 117.3 41.5 -44.2 -53.4 22.8 -10.8 26.0 42 43 A K H ><5S+ 0 0 101 -4,-1.7 3,-3.6 2,-0.2 -2,-0.2 0.990 116.7 44.3 -62.1 -62.8 22.6 -9.9 29.7 43 44 A E H 3<5S+ 0 0 132 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.5 65.4 -51.0 -31.8 23.6 -13.3 31.2 44 45 A A T 3<5S- 0 0 22 -4,-3.1 -1,-0.3 -5,-0.5 -2,-0.2 0.644 121.4-109.4 -65.7 -17.1 26.3 -13.2 28.4 45 46 A G T < 5 + 0 0 40 -3,-3.6 2,-0.3 -4,-0.3 -3,-0.2 0.662 65.2 146.9 97.3 18.9 27.8 -10.2 30.2 46 47 A F < - 0 0 9 -5,-1.9 -1,-0.3 -4,-0.2 -32,-0.2 -0.629 40.5-151.0 -89.1 146.3 27.1 -7.3 27.8 47 48 A S S S- 0 0 55 -34,-2.8 41,-2.3 -2,-0.3 2,-0.3 0.741 72.1 -1.5 -87.5 -24.8 26.5 -3.8 29.1 48 49 A H E -bc 14 88A 0 -35,-1.1 -33,-1.4 39,-0.3 2,-0.3 -0.966 55.8-132.5-156.7 173.8 24.1 -2.6 26.3 49 50 A V E -bc 15 89A 0 39,-2.0 41,-2.0 -2,-0.3 2,-0.5 -0.964 14.6-145.9-132.2 144.1 22.4 -3.4 23.1 50 51 A R E -bc 16 90A 0 -35,-2.2 -33,-1.7 -2,-0.3 41,-0.2 -0.969 12.0-163.7-114.0 127.9 22.2 -1.3 19.9 51 52 A I E - c 0 91A 0 39,-3.4 41,-0.8 -2,-0.5 2,-0.2 -0.898 7.4-151.5-115.8 101.5 19.0 -1.5 18.0 52 53 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -31,-0.3 -0.524 18.7-165.9 -70.3 138.0 19.2 -0.1 14.4 53 54 A I - 0 0 1 39,-0.4 41,-3.8 -2,-0.2 2,-1.3 -0.981 23.1-152.9-133.6 127.4 15.8 1.2 13.3 54 55 A R > + 0 0 37 -33,-2.7 3,-1.5 -2,-0.4 4,-0.3 -0.564 28.2 161.7 -94.7 72.4 14.4 2.1 9.9 55 56 A W G > + 0 0 0 -2,-1.3 3,-2.5 1,-0.3 -1,-0.2 0.845 60.4 79.4 -57.8 -36.3 11.8 4.6 10.9 56 57 A S G 3 S+ 0 0 7 38,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.637 94.6 45.2 -49.3 -22.2 11.7 6.0 7.3 57 58 A T G < S+ 0 0 12 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.503 110.3 55.8-100.7 -3.9 9.5 3.2 6.1 58 59 A H S < S+ 0 0 16 -3,-2.5 10,-1.8 -4,-0.3 2,-0.3 -0.249 98.0 70.0-119.7 42.3 7.1 3.4 9.1 59 60 A A B S-I 67 0B 0 -3,-0.4 8,-0.3 8,-0.3 7,-0.1 -0.964 88.0 -92.5-159.0 141.3 6.1 7.0 8.9 60 61 A Y - 0 0 10 6,-2.7 461,-0.2 -2,-0.3 460,-0.1 -0.209 22.7-142.2 -57.8 144.6 4.0 9.1 6.5 61 62 A A S S+ 0 0 51 459,-4.2 460,-0.1 458,-0.1 -1,-0.1 0.340 79.5 71.7 -88.4 2.1 5.8 10.8 3.6 62 63 A F S > S- 0 0 53 458,-0.4 3,-2.7 4,-0.1 4,-0.4 -0.930 95.3 -44.5-120.7 145.7 3.6 14.0 3.8 63 64 A P T 3 S+ 0 0 83 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.100 127.1 25.0 -46.2 142.7 3.7 16.7 6.4 64 65 A P T 3 S- 0 0 100 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 -0.895 92.4-142.7 -85.4 21.5 3.9 16.4 9.4 65 66 A Y < - 0 0 24 -3,-2.7 2,-0.1 1,-0.1 -4,-0.1 0.953 25.0-159.8 58.5 55.6 5.5 13.1 8.6 66 67 A K - 0 0 66 -4,-0.4 -6,-2.7 -7,-0.1 2,-0.4 -0.412 14.6-121.2 -72.2 142.5 3.9 11.2 11.4 67 68 A I B -I 59 0B 0 -8,-0.3 -8,-0.3 -2,-0.1 2,-0.2 -0.682 32.9-110.9 -82.5 128.2 5.4 7.9 12.7 68 69 A M > - 0 0 9 -10,-1.8 4,-2.2 -2,-0.4 3,-0.4 -0.405 22.6-137.9 -65.4 127.4 2.9 5.0 12.5 69 70 A D H > S+ 0 0 78 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.756 94.9 59.4 -57.7 -39.3 1.8 3.8 15.9 70 71 A R H > S+ 0 0 204 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.934 113.7 42.0 -60.0 -41.4 1.9 0.1 15.6 71 72 A F H >> S+ 0 0 18 -3,-0.4 4,-2.3 2,-0.2 3,-0.7 0.964 113.3 51.1 -66.3 -53.8 5.6 0.4 14.8 72 73 A F H 3X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.916 110.6 50.9 -47.7 -46.4 6.2 3.0 17.5 73 74 A K H 3X S+ 0 0 133 -4,-3.3 4,-1.7 1,-0.2 -1,-0.3 0.833 107.2 54.7 -60.7 -34.0 4.5 0.6 19.8 74 75 A R H S+ 0 0 33 -4,-1.7 4,-1.7 -5,-0.2 5,-0.5 0.933 103.4 54.7 -59.4 -46.5 8.6 0.4 22.9 77 78 A E H X5S+ 0 0 104 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.910 113.1 43.7 -52.4 -45.2 8.3 -3.4 23.3 78 79 A V H X5S+ 0 0 2 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.800 111.9 52.2 -72.3 -34.0 12.0 -3.7 22.4 79 80 A I H >X5S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 3,-1.6 0.999 115.8 35.6 -68.1 -67.2 13.2 -0.8 24.5 80 81 A N H 3X5S+ 0 0 76 -4,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.801 111.5 66.6 -57.0 -27.6 11.8 -1.7 27.9 81 82 A G H 3XS+ 0 0 0 -3,-1.6 5,-1.7 -4,-1.0 -2,-0.2 0.869 111.9 60.3 -83.4 -41.3 16.2 -4.7 27.0 83 84 A L H ><5S+ 0 0 29 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.817 96.5 64.2 -54.5 -33.3 15.9 -2.3 30.0 84 85 A K H 3<5S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.978 98.5 50.1 -56.4 -58.2 14.4 -5.3 31.9 85 86 A R T 3<5S- 0 0 33 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.320 123.7-107.8 -66.5 16.8 17.6 -7.3 31.8 86 87 A G T < 5S+ 0 0 67 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.613 72.4 147.2 68.5 12.1 19.3 -4.1 33.0 87 88 A L < - 0 0 3 -5,-1.7 -39,-0.3 -49,-0.1 -1,-0.2 -0.548 46.6-129.0 -81.9 145.2 20.9 -3.5 29.6 88 89 A A E -c 48 0A 4 -41,-2.3 -39,-2.0 -2,-0.2 2,-0.4 -0.489 30.4-141.8 -83.7 161.9 21.5 0.1 28.4 89 90 A V E -cd 49 128A 0 38,-2.7 40,-3.5 -41,-0.2 2,-0.5 -0.978 19.8-162.5-139.0 147.2 20.2 0.8 24.9 90 91 A V E +cd 50 129A 0 -41,-2.0 -39,-3.4 -2,-0.4 2,-0.3 -0.980 15.4 179.8-121.3 123.0 21.0 2.7 21.7 91 92 A I E +cd 51 130A 0 38,-2.2 40,-2.9 -2,-0.5 2,-0.3 -0.838 9.3 164.2-117.7 158.7 18.3 3.4 19.2 92 93 A N E - d 0 131A 0 -41,-0.8 2,-0.7 -2,-0.3 -39,-0.4 -0.942 45.7 -91.7-157.0 178.0 18.8 5.3 15.9 93 94 A I E - d 0 133A 0 38,-1.0 41,-2.0 39,-0.5 2,-0.4 -0.930 53.0-169.1-101.1 116.9 17.4 6.2 12.5 94 95 A H - 0 0 3 -41,-3.8 -38,-0.3 -2,-0.7 3,-0.1 -0.869 50.4 -1.2-115.7 144.7 18.9 3.5 10.2 95 96 A H + 0 0 49 -2,-0.4 2,-1.1 39,-0.2 -1,-0.2 0.907 61.0 164.6 46.5 59.2 19.0 3.1 6.4 96 97 A Y >> + 0 0 0 38,-0.2 3,-1.4 -3,-0.2 4,-1.0 -0.643 11.5 174.1-100.0 71.0 17.1 6.3 5.4 97 98 A E H 3> + 0 0 57 -2,-1.1 4,-1.5 1,-0.3 3,-0.2 0.775 68.8 57.2 -50.9 -39.5 18.4 5.9 1.9 98 99 A E H 3> S+ 0 0 59 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.750 105.3 53.9 -67.3 -23.1 16.4 8.7 0.3 99 100 A L H <4 S+ 0 0 0 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.794 107.7 50.0 -79.0 -29.6 17.9 11.1 2.8 100 101 A M H < S+ 0 0 2 -4,-1.0 39,-1.4 -3,-0.2 40,-0.7 0.781 117.8 38.2 -78.4 -29.8 21.4 10.0 1.8 101 102 A N H < S+ 0 0 43 -4,-1.5 -2,-0.2 239,-0.2 -1,-0.2 0.602 136.3 18.4 -96.2 -14.9 20.7 10.5 -2.0 102 103 A D S X S+ 0 0 25 -4,-1.0 4,-1.6 -5,-0.2 3,-0.5 -0.357 70.2 167.0-153.0 61.5 18.6 13.6 -1.6 103 104 A P H >> S+ 0 0 7 0, 0.0 4,-2.6 0, 0.0 3,-0.9 0.921 75.1 53.9 -43.8 -64.3 19.3 15.2 1.8 104 105 A E H 3> S+ 0 0 118 1,-0.3 4,-0.6 2,-0.2 -5,-0.1 0.848 108.8 51.0 -41.8 -45.6 17.7 18.6 1.3 105 106 A E H 34 S+ 0 0 125 -3,-0.5 4,-0.3 1,-0.2 -1,-0.3 0.886 121.9 30.8 -65.0 -37.5 14.5 16.9 0.2 106 107 A H H S+ 0 0 15 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.875 111.3 55.1 -54.1 -42.4 11.0 14.8 7.4 110 111 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.955 107.2 46.9 -55.3 -58.6 14.2 13.7 9.3 111 112 A L H X S+ 0 0 25 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.871 113.3 51.8 -53.2 -37.9 14.0 16.5 11.8 112 113 A A H X S+ 0 0 20 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.896 103.9 55.7 -68.0 -40.3 10.4 15.7 12.2 113 114 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 110.2 46.1 -60.6 -39.3 11.1 12.0 12.9 114 115 A W H X S+ 0 0 1 -4,-1.9 4,-3.7 2,-0.2 5,-0.4 0.878 105.4 59.0 -71.0 -38.3 13.5 12.9 15.7 115 116 A K H X S+ 0 0 97 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.944 112.2 42.4 -53.3 -48.6 11.0 15.5 17.3 116 117 A Q H X S+ 0 0 45 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.940 117.4 45.4 -64.0 -48.4 8.6 12.6 17.6 117 118 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.943 111.6 50.6 -61.6 -52.1 11.1 10.0 18.8 118 119 A A H X S+ 0 0 0 -4,-3.7 4,-0.8 1,-0.2 3,-0.3 0.928 115.4 44.5 -52.3 -48.8 12.8 12.3 21.3 119 120 A D H >< S+ 0 0 81 -4,-2.0 3,-1.1 -5,-0.4 4,-0.3 0.953 107.7 56.4 -61.8 -52.5 9.4 13.2 22.8 120 121 A R H 3< S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.797 126.7 21.9 -50.3 -29.5 8.1 9.6 22.8 121 122 A Y H >< S+ 0 0 0 -4,-1.7 3,-1.9 -3,-0.3 -1,-0.3 0.262 83.9 117.8-125.0 13.2 11.1 8.7 24.9 122 123 A K T << S+ 0 0 61 -3,-1.1 -3,-0.1 -4,-0.8 -2,-0.1 0.619 84.6 41.1 -59.3 -13.2 12.3 12.0 26.5 123 124 A D T 3 S+ 0 0 118 -4,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.178 87.8 119.2-121.6 18.5 11.6 10.7 30.1 124 125 A Y S < S- 0 0 59 -3,-1.9 4,-0.1 1,-0.2 -3,-0.1 -0.286 80.7 -61.8 -77.5 166.3 12.9 7.1 29.7 125 126 A P > - 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