==== 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 3PZI . COMPND 2 MOLECULE: MANNAN ENDO-1,4-BETA-MANNOSIDASE. GLYCOSYL HYDROL . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA PETROPHILA; . AUTHOR C.R.SANTOS,A.N.MEZA,J.H.PAIVA,J.C.SILVA,R.RULLER,R.A.PRADE, . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 0 1 1 0 1 0 0 0 2 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 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 PARALLEL BRIDGES PER LADDER . 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 1 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 37 A F 0 0 149 0, 0.0 2,-0.3 0, 0.0 356,-0.0 0.000 360.0 360.0 360.0 113.3 -15.2 0.2 -17.9 2 38 A R + 0 0 63 308,-0.0 2,-0.3 2,-0.0 308,-0.2 -0.905 360.0 165.9-126.1 150.1 -15.3 3.2 -15.6 3 39 A F E -a 310 0A 3 306,-1.8 308,-1.7 -2,-0.3 2,-0.5 -0.997 43.7-115.1-159.5 159.3 -12.3 4.4 -13.6 4 40 A I E +a 311 0A 2 26,-0.4 28,-2.2 -2,-0.3 29,-0.9 -0.883 48.9 169.4 -95.6 132.2 -10.3 6.8 -11.5 5 41 A G E -ab 312 33A 0 306,-2.5 308,-1.6 -2,-0.5 2,-0.3 -0.732 18.3-160.6-133.4-179.1 -7.2 7.9 -13.4 6 42 A S E -ab 313 34A 0 27,-2.0 29,-2.7 306,-0.3 2,-0.3 -0.898 16.8-115.8-149.9-172.3 -4.3 10.3 -13.3 7 43 A N E + b 0 35A 0 306,-0.8 309,-2.4 -2,-0.3 308,-0.4 -0.949 21.2 175.7-129.2 144.7 -1.7 12.0 -15.4 8 44 A N - 0 0 1 27,-2.4 29,-0.5 -2,-0.3 3,-0.4 -0.876 8.4-171.7-150.0 128.8 2.1 11.9 -15.4 9 45 A Y S S+ 0 0 37 -2,-0.3 3,-0.3 27,-0.2 27,-0.1 0.465 75.8 64.3-100.2 1.4 4.2 13.7 -18.0 10 46 A Y >> + 0 0 0 1,-0.2 4,-1.9 2,-0.1 3,-1.7 0.354 64.0 105.5-115.3 15.5 7.7 12.3 -17.2 11 47 A M T 34 S+ 0 0 1 -3,-0.4 68,-0.3 1,-0.3 -1,-0.2 0.456 79.1 54.9 -70.1 -5.2 7.3 8.6 -18.0 12 48 A H T 34 S+ 0 0 0 -3,-0.3 64,-0.3 27,-0.1 63,-0.3 0.327 119.5 24.9-114.3 8.0 9.3 8.9 -21.2 13 49 A Y T <4 S+ 0 0 13 -3,-1.7 -2,-0.2 62,-0.1 2,-0.1 0.510 96.2 89.2-147.0 -2.4 12.5 10.5 -19.8 14 50 A K S < S- 0 0 35 -4,-1.9 35,-0.0 1,-0.2 2,-0.0 -0.322 78.5 -82.3 -94.9 179.7 13.0 9.6 -16.1 15 51 A S > - 0 0 29 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.206 36.0-106.7 -80.2 166.2 14.8 6.7 -14.6 16 52 A N H > S+ 0 0 65 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.916 120.9 54.6 -52.6 -43.5 13.5 3.1 -13.9 17 53 A R H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 302,-0.2 0.921 111.5 43.6 -58.7 -44.6 13.3 3.9 -10.2 18 54 A M H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 115.4 47.3 -73.0 -38.5 11.2 7.0 -10.8 19 55 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.941 111.4 51.1 -64.9 -47.2 8.9 5.2 -13.4 20 56 A D H X S+ 0 0 33 -4,-3.4 4,-3.2 1,-0.2 5,-0.3 0.891 108.1 54.7 -56.9 -42.9 8.4 2.2 -11.1 21 57 A S H X S+ 0 0 20 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.916 109.4 44.9 -61.0 -42.0 7.5 4.6 -8.3 22 58 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.948 117.5 43.7 -66.9 -45.2 4.7 6.3 -10.3 23 59 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.916 114.9 48.6 -71.7 -38.8 3.2 3.0 -11.6 24 60 A E H X S+ 0 0 99 -4,-3.2 4,-2.8 -5,-0.2 -1,-0.2 0.891 111.6 51.3 -62.0 -37.1 3.5 1.3 -8.2 25 61 A S H X S+ 0 0 13 -4,-2.0 4,-2.5 -5,-0.3 6,-0.2 0.938 109.2 49.9 -66.2 -45.1 1.8 4.3 -6.6 26 62 A A H X>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 4,-0.9 0.931 112.8 46.4 -56.4 -48.9 -1.0 4.1 -9.2 27 63 A R H ><5S+ 0 0 155 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.949 113.3 49.4 -61.8 -44.6 -1.5 0.4 -8.5 28 64 A D H 3<5S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.897 114.4 46.1 -62.3 -36.9 -1.4 0.9 -4.6 29 65 A M H 3<5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 325,-0.2 0.566 113.9-114.1 -82.1 -11.6 -4.0 3.8 -4.9 30 66 A G T <<5 + 0 0 27 -4,-0.9 2,-0.5 -3,-0.8 -26,-0.4 0.639 60.9 153.5 86.0 8.1 -6.4 2.0 -7.2 31 67 A I < - 0 0 2 -5,-2.1 -1,-0.3 -6,-0.2 -26,-0.2 -0.693 21.4-174.3 -75.6 117.9 -5.7 4.3 -10.2 32 68 A K + 0 0 91 -28,-2.2 57,-2.8 -2,-0.5 2,-0.4 0.642 61.7 41.1 -89.3 -23.8 -6.5 2.3 -13.2 33 69 A V E -bc 5 89A 0 -29,-0.9 -27,-2.0 55,-0.2 2,-0.4 -0.998 58.6-166.9-132.8 133.4 -5.5 4.6 -16.1 34 70 A L E -bc 6 90A 0 55,-2.6 57,-2.5 -2,-0.4 2,-0.6 -0.992 12.3-149.4-122.1 129.1 -2.5 6.9 -16.5 35 71 A R E +bc 7 91A 1 -29,-2.7 -27,-2.4 -2,-0.4 2,-0.3 -0.874 29.3 172.0 -97.5 124.2 -2.4 9.6 -19.2 36 72 A I E - c 0 92A 0 55,-2.9 57,-2.5 -2,-0.6 2,-0.4 -0.832 34.5 -98.7-134.7 163.0 1.2 10.2 -20.3 37 73 A W E - c 0 93A 10 -29,-0.5 57,-0.2 -2,-0.3 55,-0.1 -0.684 22.0-173.9 -85.6 138.7 3.1 12.1 -23.0 38 74 A G + 0 0 0 55,-2.7 2,-0.3 -2,-0.4 -1,-0.1 -0.159 59.8 78.7-116.1 30.9 4.3 10.2 -26.0 39 75 A F + 0 0 0 2,-0.0 2,-0.2 56,-0.0 56,-0.1 -0.987 37.1 171.9-141.0 151.3 6.3 13.1 -27.5 40 76 A L - 0 0 0 -2,-0.3 14,-2.5 63,-0.0 13,-0.8 -0.662 27.6-173.8-156.6 90.6 9.6 15.0 -27.2 41 77 A D B +h 54 0B 0 60,-2.6 4,-0.2 -2,-0.2 65,-0.1 -0.789 39.7 28.4 -99.7 132.6 9.8 17.4 -30.2 42 78 A G S > S- 0 0 0 12,-2.7 4,-2.5 -2,-0.5 5,-0.3 0.291 75.4-103.0 101.8 142.6 12.8 19.5 -31.1 43 79 A E H > S+ 0 0 67 12,-1.2 4,-2.7 1,-0.2 5,-0.2 0.881 117.5 51.9 -67.3 -35.7 16.5 19.2 -30.6 44 80 A S H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 112.2 45.8 -68.1 -36.5 16.7 21.8 -27.7 45 81 A Y H > S+ 0 0 62 -4,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.900 114.2 48.4 -71.3 -40.5 14.0 20.0 -25.7 46 82 A C H X>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-0.8 0.932 113.3 47.5 -60.7 -47.6 15.5 16.6 -26.4 47 83 A R H ><5S+ 0 0 138 -4,-2.7 3,-0.9 -5,-0.3 -2,-0.2 0.926 105.8 58.9 -64.0 -39.7 18.9 17.8 -25.3 48 84 A D H 3<5S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.861 118.1 30.8 -57.6 -37.8 17.5 19.5 -22.2 49 85 A K H 3<5S- 0 0 68 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.419 104.8-127.7 -97.3 3.6 16.2 16.1 -21.0 50 86 A N T <<5S+ 0 0 68 -3,-0.9 20,-3.0 -4,-0.8 2,-0.4 0.844 77.1 113.4 48.1 37.8 19.1 14.1 -22.7 51 87 A T E < -i 70 0C 0 -5,-2.2 2,-0.4 18,-0.2 -2,-0.3 -0.985 54.1-154.0-143.3 131.3 16.3 12.1 -24.2 52 88 A Y E +i 71 0C 3 18,-2.2 20,-2.5 -2,-0.4 21,-0.6 -0.894 35.3 137.8-115.9 130.0 15.4 11.9 -27.9 53 89 A M S S- 0 0 0 -13,-0.8 8,-1.6 -2,-0.4 -12,-0.2 0.527 89.2 -2.0-126.8 -48.9 12.1 11.1 -29.7 54 90 A H B +h 41 0B 0 -14,-2.5 -12,-2.7 6,-0.2 6,-0.2 -0.518 66.5 156.6-145.2 69.9 11.7 13.6 -32.5 55 91 A P S S+ 0 0 2 0, 0.0 -12,-1.2 0, 0.0 -11,-0.2 0.803 73.6 3.7 -72.5 -25.8 14.6 16.1 -32.5 56 92 A E B > S-J 59 0D 93 3,-0.6 3,-2.3 -14,-0.2 51,-0.0 -0.965 99.5 -67.9-150.2 158.1 14.3 17.0 -36.3 57 93 A P T 3 S+ 0 0 47 0, 0.0 3,-0.1 0, 0.0 71,-0.0 -0.259 122.3 7.1 -52.9 132.5 11.9 16.2 -39.2 58 94 A G T 3 S+ 0 0 44 1,-0.2 2,-0.6 70,-0.1 -4,-0.0 0.504 102.0 113.2 72.2 3.8 12.3 12.5 -40.1 59 95 A V B < +J 56 0D 51 -3,-2.3 -3,-0.6 4,-0.0 2,-0.5 -0.938 40.8 177.4-107.9 113.0 14.7 11.8 -37.1 60 96 A F - 0 0 51 -2,-0.6 2,-0.2 -6,-0.2 -6,-0.2 -0.964 57.5 -0.9-119.7 116.6 12.9 9.4 -34.6 61 97 A G S S- 0 0 1 -8,-1.6 -8,-0.2 -2,-0.5 10,-0.1 -0.650 116.9 -10.1 101.3-162.1 15.1 8.5 -31.7 62 98 A V S S- 0 0 47 -2,-0.2 -2,-0.1 -10,-0.2 3,-0.1 -0.548 76.5-110.8 -77.9 129.7 18.7 9.5 -30.9 63 99 A P > - 0 0 33 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.278 43.0 -91.8 -58.1 143.8 20.6 11.4 -33.8 64 100 A E T 3 S+ 0 0 198 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.252 113.6 22.6 -52.1 132.4 23.3 9.4 -35.4 65 101 A G T 3 S+ 0 0 69 1,-0.3 2,-0.7 -3,-0.1 -1,-0.3 0.374 88.6 116.0 91.8 -13.8 26.5 10.3 -33.6 66 102 A I < - 0 0 59 -3,-2.1 3,-0.3 3,-0.0 -1,-0.3 -0.855 45.7-173.8 -87.4 120.7 25.1 11.5 -30.3 67 103 A S + 0 0 107 -2,-0.7 3,-0.1 1,-0.2 -3,-0.0 -0.638 57.4 36.3-106.4 168.3 26.3 9.1 -27.6 68 104 A N S S+ 0 0 157 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.754 88.5 125.6 64.6 23.3 25.3 8.9 -23.9 69 105 A A - 0 0 28 -3,-0.3 2,-0.2 -18,-0.0 -1,-0.2 -0.842 59.7-119.9-110.2 157.0 21.7 9.9 -24.6 70 106 A Q E -i 51 0C 61 -20,-3.0 -18,-2.2 -2,-0.3 2,-0.6 -0.630 17.8-135.0 -85.6 152.1 18.4 8.3 -23.7 71 107 A N E >> -i 52 0C 52 -2,-0.2 4,-1.6 -20,-0.2 3,-0.7 -0.932 9.0-149.1-102.2 119.1 16.0 7.2 -26.4 72 108 A G H 3> S+ 0 0 0 -20,-2.5 4,-2.9 -2,-0.6 -19,-0.2 0.787 97.3 60.5 -61.7 -26.6 12.4 8.3 -25.3 73 109 A F H 3> S+ 0 0 2 -21,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.859 104.5 48.5 -65.2 -34.6 11.0 5.2 -27.2 74 110 A E H <> S+ 0 0 53 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.864 112.3 47.8 -70.9 -35.5 13.0 3.0 -24.9 75 111 A R H X S+ 0 0 11 -4,-1.6 4,-2.6 -63,-0.3 -2,-0.2 0.935 113.4 47.8 -70.7 -43.2 11.8 4.9 -21.8 76 112 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 -64,-0.3 -2,-0.2 0.888 110.1 53.7 -60.7 -36.2 8.2 4.7 -23.1 77 113 A D H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.911 109.7 47.2 -62.9 -46.9 8.8 0.9 -23.8 78 114 A Y H X S+ 0 0 25 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.944 112.6 49.6 -59.8 -49.3 9.9 0.5 -20.1 79 115 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 -68,-0.3 -2,-0.2 0.909 113.3 46.0 -54.1 -46.3 6.9 2.4 -18.9 80 116 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.915 112.9 49.3 -67.2 -43.0 4.5 0.3 -21.1 81 117 A A H X S+ 0 0 18 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.906 114.9 44.3 -64.7 -40.1 6.1 -3.0 -20.0 82 118 A K H X S+ 0 0 35 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.893 112.0 52.0 -69.3 -40.6 5.9 -2.0 -16.3 83 119 A A H X>S+ 0 0 0 -4,-2.9 5,-2.3 -5,-0.2 4,-1.0 0.888 109.2 52.6 -56.3 -39.2 2.3 -0.7 -16.7 84 120 A K H ><5S+ 0 0 84 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.944 110.7 46.7 -63.9 -49.3 1.5 -4.1 -18.3 85 121 A E H 3<5S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.8 43.0 -54.3 -47.7 3.0 -5.9 -15.4 86 122 A L H 3<5S- 0 0 19 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.467 112.0-114.0 -86.3 -3.7 1.2 -3.8 -12.8 87 123 A G T <<5 + 0 0 48 -4,-1.0 2,-0.4 -3,-0.7 -3,-0.2 0.714 65.7 143.2 81.5 23.5 -2.2 -3.7 -14.5 88 124 A I < - 0 0 5 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.831 40.6-144.8 -96.2 131.4 -2.2 0.0 -15.3 89 125 A K E -c 33 0A 82 -57,-2.8 -55,-2.6 -2,-0.4 2,-0.4 -0.652 16.8-145.0 -92.4 152.6 -3.8 1.1 -18.7 90 126 A L E -cd 34 154A 0 63,-2.3 65,-2.9 -2,-0.2 66,-1.3 -0.949 15.3-158.3-123.8 138.2 -2.2 4.1 -20.5 91 127 A I E -cd 35 156A 0 -57,-2.5 -55,-2.9 -2,-0.4 2,-0.5 -0.973 22.7-157.4-105.8 129.5 -3.6 6.9 -22.6 92 128 A I E -cd 36 157A 0 64,-2.3 66,-2.3 -2,-0.5 2,-0.3 -0.915 2.5-150.6-117.8 121.1 -0.7 8.2 -24.8 93 129 A V E -cd 37 158A 0 -57,-2.5 -55,-2.7 -2,-0.5 66,-0.2 -0.746 1.7-155.1 -95.2 140.9 -0.9 11.8 -26.2 94 130 A L + 0 0 0 64,-2.4 2,-0.3 -2,-0.3 66,-0.2 0.690 67.6 4.0-102.1 -17.0 1.0 12.4 -29.5 95 131 A V - 0 0 0 63,-0.2 66,-2.7 -56,-0.1 2,-0.4 -0.966 68.4-120.4-157.2 159.5 1.8 16.2 -29.5 96 132 A N B -k 161 0E 2 -2,-0.3 8,-2.1 64,-0.2 66,-0.1 -0.858 2.9-150.5-101.6 135.7 1.4 19.1 -27.2 97 133 A N S S+ 0 0 3 64,-2.1 8,-0.3 -2,-0.4 -1,-0.1 0.896 86.7 63.5 -60.1 -36.1 -0.6 22.3 -27.9 98 134 A W S S- 0 0 83 63,-0.3 6,-0.2 5,-0.1 -2,-0.2 -0.293 97.1-108.1 -88.3 169.8 1.9 24.1 -25.6 99 135 A D S > S+ 0 0 69 4,-0.1 3,-2.2 5,-0.1 2,-0.1 0.601 80.5 113.9 -77.0 -14.5 5.6 24.6 -26.0 100 136 A D T 3 S+ 0 0 104 1,-0.3 3,-0.2 2,-0.1 -4,-0.1 -0.415 93.5 9.0 -59.9 129.8 6.6 22.2 -23.2 101 137 A F T 3 S- 0 0 19 1,-0.2 -60,-2.6 -2,-0.1 2,-1.3 0.757 133.4 -71.5 63.3 30.3 8.5 19.2 -24.9 102 138 A G S <> S- 0 0 0 -3,-2.2 4,-1.0 -62,-0.2 3,-0.3 -0.456 75.4-177.0 93.2 -67.0 8.5 21.3 -28.2 103 139 A G H >> - 0 0 0 -2,-1.3 4,-1.3 1,-0.2 3,-0.9 -0.019 52.8 -36.7 69.5-171.6 4.8 21.1 -29.1 104 140 A M H 3> S+ 0 0 0 -8,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.842 134.3 60.5 -53.3 -42.5 3.1 22.5 -32.2 105 141 A N H 3> S+ 0 0 41 -3,-0.3 4,-2.6 -8,-0.3 -1,-0.3 0.821 99.1 57.3 -62.1 -30.3 5.3 25.5 -32.3 106 142 A Q H S+ 0 0 4 -4,-2.4 5,-2.6 1,-0.2 4,-0.3 0.919 109.3 50.5 -66.2 -41.0 6.0 25.3 -37.1 109 145 A R H ><5S+ 0 0 124 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.924 108.0 53.0 -61.3 -40.7 9.7 26.4 -36.5 110 146 A W H 3<5S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 115.4 40.4 -60.1 -35.6 11.0 23.4 -38.4 111 147 A F T 3<5S- 0 0 35 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.214 113.7-113.7-105.3 12.0 8.8 24.2 -41.4 112 148 A G T < 5 + 0 0 64 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.718 60.0 155.3 68.3 29.0 9.3 28.0 -41.3 113 149 A G < - 0 0 26 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.183 41.6-139.3 -79.7-179.1 5.8 29.0 -40.4 114 150 A T S S+ 0 0 134 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.417 75.1 37.4-125.3 -0.9 4.7 32.1 -38.6 115 151 A H S > S- 0 0 78 1,-0.1 3,-2.1 -7,-0.0 4,-0.3 -0.984 75.3-117.6-150.4 145.5 1.9 31.1 -36.2 116 152 A H T > S+ 0 0 26 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.850 112.9 60.7 -42.6 -48.6 1.3 28.2 -33.9 117 153 A D T >> S+ 0 0 4 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.628 78.5 83.5 -69.7 -7.1 -1.9 27.4 -35.8 118 154 A D H X> S+ 0 0 35 -3,-2.1 4,-3.1 1,-0.3 3,-1.1 0.791 76.5 77.2 -59.7 -21.6 0.0 26.8 -39.1 119 155 A F H <4 S+ 0 0 0 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.837 96.5 43.3 -55.5 -34.6 0.5 23.3 -37.4 120 156 A Y H <4 S+ 0 0 7 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.646 123.5 34.8 -83.6 -15.0 -3.1 22.4 -38.5 121 157 A R H << S+ 0 0 97 -3,-1.1 2,-0.5 -4,-0.5 -2,-0.2 0.741 88.3 90.1-115.6 -36.1 -2.9 23.9 -42.0 122 158 A D X - 0 0 33 -4,-3.1 4,-2.6 1,-0.2 3,-0.3 -0.538 61.2-151.7 -76.1 121.1 0.6 23.5 -43.5 123 159 A E H > S+ 0 0 114 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.837 95.3 58.5 -63.6 -29.5 0.6 20.1 -45.4 124 160 A R H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.889 110.1 43.2 -66.9 -34.1 4.4 19.7 -44.8 125 161 A I H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.946 112.5 51.6 -72.5 -46.6 3.7 19.9 -41.0 126 162 A K H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.911 109.6 51.8 -57.6 -39.5 0.7 17.6 -41.2 127 163 A E H X S+ 0 0 106 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.893 109.6 48.9 -65.2 -38.9 2.9 15.1 -43.1 128 164 A E H X S+ 0 0 7 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.907 109.3 51.7 -70.0 -37.2 5.6 15.2 -40.5 129 165 A Y H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.938 110.9 48.9 -62.3 -45.8 3.1 14.7 -37.7 130 166 A K H X S+ 0 0 46 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.894 109.8 51.7 -62.9 -35.3 1.7 11.6 -39.5 131 167 A K H X S+ 0 0 94 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.925 112.2 46.9 -65.5 -40.1 5.3 10.3 -40.1 132 168 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.943 113.7 46.4 -62.3 -54.1 6.0 10.6 -36.3 133 169 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.869 111.6 51.8 -63.8 -35.5 2.7 9.0 -35.3 134 170 A S H X S+ 0 0 31 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.920 110.6 48.9 -64.4 -45.1 3.2 6.1 -37.7 135 171 A F H < S+ 0 0 76 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.938 115.5 44.4 -56.6 -50.0 6.7 5.5 -36.4 136 172 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 2,-0.2 12,-0.3 0.945 113.5 47.2 -62.3 -50.0 5.4 5.5 -32.8 137 173 A I H 3< S+ 0 0 0 -4,-2.9 12,-1.9 1,-0.3 -1,-0.2 0.895 116.8 45.1 -67.3 -28.0 2.3 3.4 -33.3 138 174 A N T 3< S+ 0 0 65 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.451 85.6 123.7 -88.4 0.0 4.4 0.8 -35.3 139 175 A H < - 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