==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-10 3PZU . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR C.R.SANTOS,J.H.PAIVA,P.K.AKAO,A.N.MEZA,J.C.SILVA,F.M.SQUINA, . 594 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.7 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 42 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 6 1 1 0 0 0 1 3 2 2 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 2 4 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 PARALLEL BRIDGES PER LADDER . 4 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 2 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 35 A P >> 0 0 29 0, 0.0 4,-3.1 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 42.9 -9.7 -21.8 -4.3 2 36 A V H 3> + 0 0 12 87,-2.2 4,-2.2 1,-0.2 88,-0.2 0.756 360.0 65.4 -74.1 -19.6 -6.1 -22.1 -3.0 3 37 A A H 34 S+ 0 0 97 86,-0.8 -1,-0.2 2,-0.2 87,-0.1 0.813 114.9 34.6 -67.1 -29.0 -5.7 -25.6 -4.5 4 38 A K H <4 S+ 0 0 32 -3,-0.6 -2,-0.2 85,-0.3 -1,-0.1 0.896 132.2 28.2 -81.5 -48.3 -6.0 -23.6 -7.8 5 39 A N H < S+ 0 0 6 -4,-3.1 13,-2.5 1,-0.2 14,-0.2 0.734 79.4 176.1 -98.2 -24.8 -4.2 -20.4 -6.8 6 40 A G < + 0 0 19 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.199 55.9 24.9 63.3-142.9 -1.7 -21.3 -4.1 7 41 A Q S S- 0 0 47 10,-0.1 2,-0.2 1,-0.1 120,-0.1 -0.312 77.0-146.0 -58.3 121.7 0.7 -18.6 -2.8 8 42 A L + 0 0 4 118,-0.3 2,-0.3 9,-0.1 9,-0.2 -0.638 23.6 169.0 -83.4 154.0 -0.8 -15.1 -3.2 9 43 A S E -A 16 0A 45 7,-2.0 7,-2.7 -2,-0.2 2,-0.5 -0.918 31.8-105.1-152.0 176.6 1.3 -12.0 -3.9 10 44 A I E -A 15 0A 24 -2,-0.3 2,-0.6 178,-0.2 5,-0.2 -0.949 19.2-172.2-113.6 126.8 0.9 -8.3 -5.0 11 45 A K E > S-A 14 0A 79 3,-3.3 3,-2.8 -2,-0.5 2,-0.6 -0.931 73.0 -52.7-110.9 99.0 1.6 -7.0 -8.4 12 46 A G T 3 S- 0 0 62 -2,-0.6 425,-0.0 1,-0.3 -2,-0.0 -0.613 123.2 -24.4 75.7-115.5 1.3 -3.2 -8.1 13 47 A T T 3 S+ 0 0 50 -2,-0.6 2,-0.5 204,-0.1 206,-0.4 0.412 121.0 102.2-100.2 1.0 -2.1 -2.8 -6.6 14 48 A Q E < -A 11 0A 23 -3,-2.8 -3,-3.3 204,-0.1 2,-0.4 -0.725 66.6-137.0-102.8 125.5 -3.3 -6.2 -7.9 15 49 A L E -A 10 0A 4 -2,-0.5 8,-2.2 236,-0.3 2,-0.3 -0.673 33.4-175.2 -74.2 126.8 -3.6 -9.4 -5.9 16 50 A V E -AB 9 22A 1 -7,-2.7 -7,-2.0 -2,-0.4 6,-0.2 -0.791 19.9-123.1-122.5 159.9 -2.3 -12.2 -8.0 17 51 A N > - 0 0 0 4,-2.3 3,-1.8 -2,-0.3 -11,-0.2 -0.293 45.0 -85.4 -90.9-174.1 -2.0 -16.0 -7.7 18 52 A R T 3 S+ 0 0 126 -13,-2.5 -12,-0.1 1,-0.3 -13,-0.1 0.806 130.4 55.5 -67.9 -28.9 1.1 -18.2 -7.9 19 53 A D T 3 S- 0 0 37 -14,-0.2 -1,-0.3 2,-0.1 379,-0.1 0.529 120.0-112.5 -72.0 -8.9 0.8 -18.3 -11.8 20 54 A G S < S+ 0 0 1 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.625 71.9 136.2 86.3 9.9 0.8 -14.4 -11.7 21 55 A K - 0 0 12 507,-0.1 -4,-2.3 -16,-0.1 -1,-0.3 -0.715 62.4-100.8 -90.4 145.4 -2.8 -13.9 -12.9 22 56 A A B -B 16 0A 15 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.382 41.2-168.3 -62.6 139.5 -5.0 -11.4 -11.2 23 57 A V - 0 0 8 -8,-2.2 2,-0.5 228,-0.1 -8,-0.2 -0.971 17.8-158.3-132.8 138.8 -7.5 -12.9 -8.8 24 58 A Q - 0 0 48 -2,-0.4 2,-0.2 228,-0.1 228,-0.1 -0.950 19.3-152.9-114.7 108.5 -10.5 -11.4 -7.1 25 59 A L - 0 0 3 -2,-0.5 229,-2.1 30,-0.1 2,-0.3 -0.537 11.9-169.2 -79.7 143.4 -11.3 -13.4 -3.8 26 60 A K E +c 254 0B 34 227,-0.2 29,-3.0 -2,-0.2 30,-1.2 -0.999 24.5 111.0-134.3 140.4 -15.0 -13.4 -2.7 27 61 A G E -cd 255 56B 0 227,-1.5 229,-2.3 -2,-0.3 2,-0.3 -0.865 48.4 -88.5-174.4-157.5 -16.4 -14.7 0.6 28 62 A I E -cd 256 57B 0 28,-1.0 30,-2.6 227,-0.3 2,-0.4 -0.939 24.6-127.5-147.4 157.0 -18.0 -14.0 4.0 29 63 A S E -cd 257 58B 0 227,-2.6 230,-3.5 -2,-0.3 229,-0.6 -0.809 20.4-121.3-107.9 142.7 -17.0 -13.2 7.6 30 64 A S E -c 259 0B 0 28,-3.2 230,-0.1 -2,-0.4 3,-0.1 -0.399 29.6-120.4 -61.0 159.3 -17.9 -14.8 10.8 31 65 A H S S- 0 0 6 228,-0.9 29,-0.4 5,-0.2 -1,-0.1 -0.217 72.9 -37.1 -77.2-172.0 -19.6 -12.6 13.2 32 66 A G >> - 0 0 0 1,-0.2 4,-2.9 -2,-0.1 3,-2.1 -0.320 58.9-140.1 -58.3 130.5 -17.7 -12.4 16.5 33 67 A L H 3> S+ 0 0 9 27,-1.8 4,-1.2 1,-0.3 -1,-0.2 0.792 98.9 63.5 -68.4 -24.5 -16.2 -15.9 17.1 34 68 A Q H 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.599 119.7 23.5 -76.9 -6.9 -17.0 -15.7 20.9 35 69 A W H <4 S+ 0 0 99 -3,-2.1 -2,-0.2 -4,-0.0 -1,-0.2 0.669 138.4 22.2-119.0 -37.0 -20.7 -15.5 20.1 36 70 A Y H >< S+ 0 0 48 -4,-2.9 3,-1.6 1,-0.1 -5,-0.2 0.010 79.6 115.1-125.7 23.1 -21.3 -17.1 16.6 37 71 A G G >< + 0 0 6 -4,-1.2 3,-2.0 -5,-0.3 -4,-0.1 0.670 63.4 80.5 -66.9 -14.7 -18.2 -19.3 16.4 38 72 A E G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.752 88.5 54.9 -63.4 -23.9 -20.8 -22.2 16.5 39 73 A Y G < S+ 0 0 1 -3,-1.6 2,-0.7 220,-0.1 -1,-0.3 0.378 92.4 82.8 -87.7 2.0 -21.3 -21.4 12.7 40 74 A V < + 0 0 0 -3,-2.0 2,-0.3 -7,-0.1 -1,-0.1 -0.893 59.4 114.6-117.4 100.4 -17.6 -21.8 11.9 41 75 A N S > S- 0 0 20 -2,-0.7 4,-2.3 234,-0.1 5,-0.3 -0.933 78.5 -89.5-154.5 167.6 -16.6 -25.5 11.4 42 76 A K H > S+ 0 0 95 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.887 122.7 52.6 -53.9 -41.1 -15.3 -27.7 8.6 43 77 A D H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 110.9 42.0 -62.0 -51.0 -18.9 -28.6 7.6 44 78 A S H > S+ 0 0 0 231,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.893 116.3 49.9 -68.8 -34.0 -20.2 -25.1 7.2 45 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.850 109.9 51.0 -71.3 -35.5 -17.1 -23.9 5.5 46 80 A K H X S+ 0 0 90 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.931 110.7 48.5 -68.1 -42.4 -17.2 -26.9 3.1 47 81 A W H X>S+ 0 0 73 -4,-2.5 4,-3.9 229,-0.2 5,-0.9 0.938 111.4 50.7 -61.0 -44.8 -20.9 -26.0 2.3 48 82 A L H X>S+ 0 0 0 -4,-2.7 6,-1.9 1,-0.2 4,-0.9 0.916 112.7 46.9 -55.0 -42.9 -19.9 -22.4 1.8 49 83 A R H <5S+ 0 0 80 -4,-2.3 4,-0.3 4,-0.2 -2,-0.2 0.936 123.0 33.3 -62.5 -46.7 -17.1 -23.5 -0.6 50 84 A D H <5S+ 0 0 82 -4,-2.6 -2,-0.2 2,-0.1 -3,-0.2 0.856 129.7 29.3 -84.7 -40.6 -19.4 -25.9 -2.5 51 85 A D H <5S+ 0 0 39 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.1 0.819 133.7 28.6 -94.3 -34.7 -22.8 -24.3 -2.5 52 86 A W T < S+ 0 0 23 33,-0.4 3,-1.0 1,-0.2 4,-0.1 -0.010 92.7 60.7 -88.6-169.3 -12.8 -6.8 23.3 65 99 A D T 3 S- 0 0 86 1,-0.3 -1,-0.2 2,-0.1 -3,-0.1 0.864 137.8 -43.8 49.3 54.2 -16.4 -7.7 24.1 66 100 A G T 3 S+ 0 0 36 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.654 115.5 126.8 70.0 16.2 -15.8 -11.1 25.8 67 101 A G S X> S- 0 0 0 -3,-1.0 4,-2.7 -4,-0.2 3,-0.6 0.160 79.9 -47.4 -80.5-155.3 -13.3 -11.8 22.9 68 102 A Y T 34 S+ 0 0 8 -6,-2.7 -5,-0.2 1,-0.2 -4,-0.1 0.675 129.3 60.5 -52.8 -31.5 -9.7 -12.9 23.1 69 103 A I T 34 S+ 0 0 43 -6,-2.7 -1,-0.2 1,-0.2 -5,-0.1 0.931 119.3 27.1 -73.9 -42.3 -8.6 -10.3 25.6 70 104 A D T <4 S+ 0 0 129 -7,-0.6 -2,-0.2 -3,-0.6 -1,-0.2 0.745 140.6 22.8 -84.1 -29.1 -11.0 -11.6 28.3 71 105 A N >< + 0 0 82 -4,-2.7 3,-1.5 -8,-0.3 -1,-0.2 -0.702 62.4 177.6-139.7 89.1 -11.2 -15.1 27.0 72 106 A P G > + 0 0 64 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.669 66.2 88.8 -74.9 -8.1 -8.2 -16.2 24.9 73 107 A S G > S+ 0 0 66 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.762 70.2 80.5 -55.6 -17.0 -9.5 -19.8 24.5 74 108 A V G X> S+ 0 0 16 -3,-1.5 4,-1.5 1,-0.3 3,-1.4 0.749 72.3 77.5 -61.8 -23.4 -11.3 -18.3 21.3 75 109 A K H <> S+ 0 0 49 -3,-2.3 4,-2.6 1,-0.3 -1,-0.3 0.807 83.3 65.1 -57.4 -26.3 -8.0 -18.7 19.5 76 110 A N H <> S+ 0 0 93 -3,-2.2 4,-2.5 -4,-0.3 -1,-0.3 0.839 98.4 53.6 -61.9 -30.6 -8.9 -22.4 19.3 77 111 A K H <> S+ 0 0 41 -3,-1.4 4,-2.4 -4,-0.4 -2,-0.2 0.909 107.4 48.8 -72.0 -40.3 -11.8 -21.4 17.1 78 112 A V H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.951 112.5 48.7 -59.7 -46.1 -9.4 -19.5 14.8 79 113 A K H X S+ 0 0 54 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.954 110.5 51.7 -60.9 -43.4 -7.1 -22.6 14.7 80 114 A E H X S+ 0 0 83 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.907 111.1 48.1 -55.2 -44.5 -10.2 -24.8 14.0 81 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.920 111.1 49.1 -69.1 -42.6 -11.1 -22.4 11.1 82 116 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.927 111.6 49.3 -59.6 -46.4 -7.5 -22.4 9.6 83 117 A E H X S+ 0 0 98 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.918 111.0 50.8 -61.2 -37.7 -7.3 -26.2 9.7 84 118 A A H X S+ 0 0 3 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.926 110.1 49.9 -63.5 -41.1 -10.7 -26.5 8.0 85 119 A A H X>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 4,-1.0 0.860 108.7 51.9 -70.9 -36.1 -9.5 -24.1 5.3 86 120 A K H ><5S+ 0 0 77 -4,-2.3 3,-0.6 2,-0.2 -1,-0.2 0.945 112.5 45.7 -60.3 -47.8 -6.4 -26.1 4.7 87 121 A E H 3<5S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.922 118.5 42.0 -60.6 -39.6 -8.4 -29.2 4.3 88 122 A L H 3<5S- 0 0 11 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.551 106.4-123.3 -89.6 -4.6 -10.9 -27.5 2.1 89 123 A G T <<5 + 0 0 12 -4,-1.0 -87,-2.2 -3,-0.6 -86,-0.8 0.885 65.2 130.6 62.2 39.4 -8.4 -25.5 -0.0 90 124 A I < - 0 0 0 -5,-2.0 -1,-0.2 -89,-0.2 -34,-0.2 -0.859 61.9-105.5-116.6 158.0 -9.9 -22.0 0.7 91 125 A Y E -e 56 0B 0 -36,-2.2 -34,-2.4 -2,-0.3 2,-0.4 -0.487 33.9-155.0 -74.0 149.5 -8.1 -18.8 1.9 92 126 A V E -ef 57 128B 0 35,-3.1 37,-2.9 -36,-0.2 2,-0.7 -0.980 6.9-147.8-131.8 128.6 -8.6 -17.9 5.5 93 127 A I E -ef 58 129B 0 -36,-2.9 -34,-2.4 -2,-0.4 2,-0.9 -0.814 6.2-152.7 -92.0 119.9 -8.3 -14.4 7.0 94 128 A I E -ef 59 130B 1 35,-2.9 37,-3.2 -2,-0.7 2,-0.7 -0.801 22.8-166.0 -89.6 102.9 -7.1 -14.4 10.6 95 129 A D E -ef 60 131B 0 -36,-2.0 -34,-1.9 -2,-0.9 2,-1.4 -0.851 22.1-155.6-105.6 106.4 -8.8 -11.1 11.8 96 130 A W E -e 61 0B 0 35,-2.9 2,-2.0 -2,-0.7 38,-1.9 -0.705 29.0-152.2 -72.5 92.7 -7.6 -9.5 15.0 97 131 A H E +e 62 0B 3 -36,-2.4 -34,-1.0 -2,-1.4 -33,-0.4 -0.482 22.2 176.0 -90.2 75.1 -11.0 -7.9 15.2 98 132 A I + 0 0 0 -2,-2.0 37,-1.0 -36,-0.2 4,-0.1 -0.454 21.7 131.2 -71.4 150.1 -10.5 -4.6 17.2 99 133 A L S S+ 0 0 42 -2,-0.1 -1,-0.1 35,-0.1 38,-0.1 -0.034 73.2 33.6-162.2 -79.9 -13.6 -2.4 17.5 100 134 A N S S+ 0 0 115 1,-0.3 2,-1.5 2,-0.1 3,-0.2 0.879 116.8 62.1 -57.4 -32.1 -14.5 -1.1 21.0 101 135 A D S S+ 0 0 3 1,-0.2 -1,-0.3 3,-0.0 6,-0.2 -0.634 79.3 176.3 -91.9 78.7 -10.8 -1.1 21.6 102 136 A G + 0 0 8 -2,-1.5 35,-1.2 -4,-0.1 -1,-0.2 0.691 55.2 67.1 -69.0 -27.8 -10.4 1.5 18.8 103 137 A N S > S- 0 0 45 33,-0.2 3,-2.4 -3,-0.2 4,-0.5 -0.804 72.1-149.3 -92.4 121.0 -6.7 2.2 19.1 104 138 A P G > S+ 0 0 1 0, 0.0 3,-0.6 0, 0.0 7,-0.2 0.743 95.1 69.0 -64.1 -19.5 -4.7 -0.9 18.1 105 139 A N G > S+ 0 0 53 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.755 82.9 75.6 -64.9 -18.6 -2.0 0.2 20.5 106 140 A Q G < S+ 0 0 128 -3,-2.4 -1,-0.2 1,-0.3 3,-0.2 0.893 112.2 20.8 -60.6 -42.8 -4.4 -0.6 23.3 107 141 A N G <> S+ 0 0 23 -3,-0.6 4,-2.5 -4,-0.5 -1,-0.3 -0.018 87.4 129.3-115.6 33.3 -3.9 -4.4 22.9 108 142 A K H <> + 0 0 38 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.872 69.2 49.4 -58.5 -49.0 -0.6 -4.2 21.1 109 143 A E H > S+ 0 0 123 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.923 114.8 46.3 -59.0 -43.5 1.5 -6.7 23.3 110 144 A K H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 111.4 52.6 -68.4 -35.0 -1.3 -9.3 23.1 111 145 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.943 109.4 48.0 -62.3 -48.5 -1.6 -8.7 19.4 112 146 A K H X S+ 0 0 46 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.865 113.9 47.1 -62.3 -41.5 2.1 -9.3 18.8 113 147 A E H X S+ 0 0 104 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.910 113.4 49.0 -61.2 -46.9 2.0 -12.4 20.9 114 148 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.960 113.9 44.5 -61.9 -49.1 -1.2 -13.7 19.1 115 149 A F H X S+ 0 0 0 -4,-3.3 4,-2.3 2,-0.2 5,-0.2 0.768 109.4 57.6 -65.3 -24.8 0.3 -13.0 15.6 116 150 A K H X S+ 0 0 118 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.954 110.3 44.2 -70.9 -45.9 3.6 -14.6 16.7 117 151 A E H X S+ 0 0 51 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.942 115.9 45.5 -59.5 -48.2 1.7 -17.7 17.5 118 152 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.958 114.5 47.7 -64.0 -45.1 -0.5 -17.7 14.3 119 153 A S H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.847 110.5 53.9 -63.4 -35.1 2.5 -17.0 12.0 120 154 A S H < S+ 0 0 80 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.880 115.9 37.4 -62.2 -46.1 4.5 -19.7 13.7 121 155 A L H < S+ 0 0 90 -4,-1.9 3,-0.2 -5,-0.2 -2,-0.2 0.888 133.3 22.9 -72.8 -40.5 1.9 -22.4 13.1 122 156 A Y H >< S+ 0 0 6 -4,-2.7 3,-2.5 -5,-0.2 6,-0.3 0.384 83.3 113.7-118.2 1.7 0.7 -21.3 9.7 123 157 A G T 3< S+ 0 0 7 -4,-1.9 40,-0.3 1,-0.3 41,-0.2 0.621 83.4 43.8 -52.7 -27.4 3.6 -19.4 8.2 124 158 A N T 3 S+ 0 0 154 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.209 93.2 100.2-105.5 15.1 4.3 -21.9 5.4 125 159 A T X - 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