==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAR-03 1UA7 . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.KAGAWA,Z.FUJIMOTO,M.MOMMA,K.TAKASE,H.MIZUNO . 422 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 2 0.5 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 . 38 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 3 3 0 0 0 0 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 2 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 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 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 P 0 0 125 0, 0.0 2,-0.1 0, 0.0 339,-0.0 0.000 360.0 360.0 360.0 176.9 -15.3 9.5 36.0 2 5 A S > - 0 0 54 1,-0.1 4,-0.8 4,-0.0 3,-0.1 -0.260 360.0-106.3 -84.2 177.1 -16.9 12.1 33.7 3 6 A I T >4 S+ 0 0 2 1,-0.2 3,-0.8 2,-0.2 29,-0.1 0.900 121.7 56.6 -70.3 -40.6 -15.6 15.5 33.0 4 7 A K T 34 S+ 0 0 42 1,-0.2 -1,-0.2 196,-0.1 4,-0.1 0.746 105.2 53.0 -61.0 -26.1 -18.3 17.0 35.2 5 8 A S T 34 S+ 0 0 43 -3,-0.1 -1,-0.2 292,-0.1 -2,-0.2 0.696 109.5 49.6 -84.6 -22.5 -17.1 14.9 38.1 6 9 A G S << S- 0 0 0 -3,-0.8 2,-0.3 -4,-0.8 25,-0.1 -0.110 88.2 -85.5-103.5-159.5 -13.5 15.9 38.0 7 10 A T - 0 0 0 23,-0.4 25,-2.1 290,-0.1 26,-1.3 -0.789 32.4-136.9-110.4 155.0 -11.3 19.0 37.8 8 11 A I E -ab 33 299A 0 290,-2.6 292,-2.8 -2,-0.3 2,-0.7 -0.940 3.2-146.0-118.7 134.3 -10.3 21.0 34.8 9 12 A L E -ab 34 300A 0 24,-2.5 26,-2.6 -2,-0.4 2,-1.3 -0.873 13.2-145.5 -97.5 115.3 -6.8 22.4 34.0 10 13 A H E -ab 35 301A 4 290,-2.9 2,-2.2 -2,-0.7 292,-1.5 -0.692 9.9-164.4 -81.9 95.9 -7.1 25.7 32.1 11 14 A A > - 0 0 0 24,-1.6 3,-2.5 -2,-1.3 26,-0.4 -0.245 16.8-166.8 -78.0 52.3 -4.0 25.4 29.8 12 15 A W T 3 - 0 0 6 -2,-2.2 308,-0.1 1,-0.3 3,-0.1 -0.160 68.7 -9.8 -47.5 117.4 -4.2 29.1 29.1 13 16 A N T 3 S+ 0 0 2 1,-0.2 307,-1.9 306,-0.1 2,-0.4 0.458 93.2 145.4 69.9 2.8 -1.9 30.0 26.1 14 17 A W B < -i 320 0B 0 -3,-2.5 23,-0.4 305,-0.1 -1,-0.2 -0.598 49.9-126.1 -71.8 124.8 -0.3 26.5 26.2 15 18 A S > - 0 0 18 305,-2.6 4,-2.3 -2,-0.4 57,-0.2 -0.176 21.4-108.4 -65.5 166.0 0.4 25.5 22.6 16 19 A F H > S+ 0 0 0 55,-3.1 4,-2.6 1,-0.2 5,-0.2 0.930 122.5 48.9 -63.0 -42.1 -0.9 22.3 21.2 17 20 A N H > S+ 0 0 49 54,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.835 108.4 53.4 -66.2 -32.3 2.6 20.8 21.2 18 21 A T H > S+ 0 0 24 302,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 110.3 47.9 -67.0 -44.4 3.2 22.0 24.8 19 22 A L H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.958 109.1 53.1 -58.9 -52.5 0.0 20.3 25.9 20 23 A K H >< S+ 0 0 53 -4,-2.6 3,-0.7 1,-0.2 4,-0.3 0.871 110.7 47.6 -52.2 -41.4 1.0 17.0 24.2 21 24 A H H 3< S+ 0 0 144 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.788 115.0 43.4 -74.7 -26.8 4.4 16.9 25.8 22 25 A N T S+ 0 0 2 -3,-0.7 4,-2.5 -4,-0.5 -1,-0.2 0.877 76.1 50.1 -59.1 -44.0 0.1 15.2 29.0 24 27 A K H > S+ 0 0 113 -3,-0.3 4,-2.7 -4,-0.3 -1,-0.2 0.920 113.3 47.3 -63.3 -40.7 1.5 12.5 31.3 25 28 A D H > S+ 0 0 58 2,-0.2 4,-1.4 -4,-0.2 -2,-0.2 0.891 109.6 53.2 -66.0 -38.8 2.2 15.2 34.0 26 29 A I H <>S+ 0 0 0 -4,-2.4 5,-1.3 2,-0.2 3,-0.3 0.939 111.4 47.3 -60.3 -46.9 -1.3 16.6 33.5 27 30 A H H ><5S+ 0 0 76 -4,-2.5 3,-2.6 1,-0.2 -2,-0.2 0.957 109.6 50.5 -58.6 -54.6 -2.7 13.2 34.1 28 31 A D H 3<5S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.749 100.3 67.9 -58.2 -21.4 -0.6 12.4 37.2 29 32 A A T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -3,-0.3 307,-0.2 0.513 116.1-112.8 -76.6 -5.5 -1.8 15.8 38.5 30 33 A G T < 5 + 0 0 11 -3,-2.6 -23,-0.4 1,-0.3 2,-0.3 0.616 65.4 146.1 85.9 12.2 -5.3 14.4 38.8 31 34 A Y < - 0 0 7 -5,-1.3 -1,-0.3 1,-0.1 -23,-0.2 -0.628 35.2-162.8 -83.8 142.1 -7.0 16.5 36.2 32 35 A T S S+ 0 0 17 -25,-2.1 58,-2.2 -2,-0.3 2,-0.3 0.724 73.4 10.0 -93.9 -26.7 -9.8 14.9 34.2 33 36 A A E -ac 8 90A 0 -26,-1.3 -24,-2.5 56,-0.2 2,-0.3 -0.994 62.5-141.8-152.1 155.0 -9.9 17.4 31.4 34 37 A I E -ac 9 91A 0 56,-2.2 58,-2.8 -2,-0.3 2,-0.5 -0.879 12.6-143.6-117.4 149.7 -7.8 20.3 30.0 35 38 A Q E -ac 10 92A 1 -26,-2.6 -24,-1.6 -2,-0.3 58,-0.2 -0.973 16.3-156.9-116.4 123.7 -9.2 23.5 28.5 36 39 A T E - c 0 93A 0 56,-2.0 58,-0.5 -2,-0.5 -24,-0.1 -0.464 22.3-107.1 -91.5 167.1 -7.3 25.0 25.6 37 40 A S - 0 0 0 -26,-0.4 57,-0.2 -23,-0.4 -1,-0.1 -0.391 69.5 -50.0 -83.6 169.9 -7.3 28.6 24.4 38 41 A P - 0 0 0 0, 0.0 -1,-0.2 0, 0.0 33,-0.1 -0.144 51.8-165.0 -45.9 129.1 -9.2 29.4 21.2 39 42 A I + 0 0 0 55,-0.5 28,-3.2 -3,-0.1 2,-0.1 0.347 54.4 95.5-100.1 2.8 -8.1 27.1 18.4 40 43 A N E S-J 66 0C 0 26,-0.3 2,-0.2 18,-0.2 26,-0.2 -0.317 88.3 -77.7 -88.9 176.5 -9.5 28.9 15.4 41 44 A Q E +J 63 0C 80 24,-1.5 21,-1.9 22,-0.5 22,-1.1 -0.525 57.9 179.8 -73.2 136.4 -7.8 31.4 13.1 42 45 A V E -J 61 0C 7 19,-0.3 2,-0.9 -2,-0.2 27,-0.2 -0.841 40.1 -87.2-135.0 171.8 -7.4 34.9 14.6 43 46 A K - 0 0 50 17,-2.4 2,-2.1 14,-0.4 17,-0.1 -0.724 39.3-150.4 -79.4 108.1 -6.1 38.4 13.9 44 47 A E > - 0 0 71 -2,-0.9 4,-1.3 14,-0.1 3,-0.1 -0.493 27.9-170.3 -83.6 72.5 -2.5 38.0 15.0 45 48 A G T >4 + 0 0 3 -2,-2.1 3,-1.6 2,-0.2 4,-0.4 0.157 57.0 37.6 -57.6 175.3 -2.1 41.6 16.0 46 49 A N G >4 S- 0 0 73 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.878 138.0 -59.3 44.3 43.9 1.0 43.5 17.0 47 50 A Q G 34 S- 0 0 173 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.815 89.0 -71.7 58.3 34.4 2.8 41.5 14.4 48 51 A G G << S+ 0 0 2 -3,-1.6 -1,-0.3 -4,-1.3 -2,-0.2 0.648 77.6 177.3 59.2 16.1 2.0 38.2 16.0 49 52 A D < - 0 0 70 -3,-1.6 -1,-0.2 -4,-0.4 5,-0.1 -0.231 28.5-141.1 -52.8 135.2 4.4 39.0 18.8 50 53 A K + 0 0 37 3,-0.1 269,-2.7 268,-0.1 -1,-0.1 0.273 51.8 136.7 -86.2 10.9 4.3 36.2 21.5 51 54 A S B > -K 318 0D 55 267,-0.2 3,-2.8 1,-0.2 267,-0.1 -0.358 65.3-122.1 -58.1 137.4 4.7 38.5 24.5 52 55 A M G > S+ 0 0 17 265,-0.5 3,-1.4 1,-0.3 -1,-0.2 0.744 110.2 69.8 -54.8 -24.2 2.2 37.3 27.2 53 56 A S G 3 S+ 0 0 56 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.659 88.8 64.8 -68.8 -14.4 0.6 40.8 27.1 54 57 A N G X + 0 0 9 -3,-2.8 3,-1.4 1,-0.2 4,-0.3 0.154 65.7 117.4 -93.5 19.0 -0.7 39.9 23.6 55 58 A W G X + 0 0 13 -3,-1.4 3,-1.0 1,-0.2 -1,-0.2 0.768 61.6 68.1 -55.9 -31.2 -2.9 37.1 25.1 56 59 A Y G > S+ 0 0 82 -3,-0.4 3,-1.9 1,-0.2 -1,-0.2 0.645 76.6 78.1 -69.4 -18.0 -6.1 38.8 23.9 57 60 A W G X S+ 0 0 19 -3,-1.4 3,-1.8 1,-0.3 -14,-0.4 0.813 79.9 72.3 -62.5 -27.2 -5.6 38.4 20.2 58 61 A L G < S+ 0 0 3 -3,-1.0 -1,-0.3 -4,-0.3 -18,-0.2 0.647 91.3 60.6 -61.4 -13.3 -6.7 34.7 20.5 59 62 A Y G < S+ 0 0 23 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.080 85.6 83.1-102.5 24.1 -10.2 36.1 21.1 60 63 A Q < - 0 0 17 -3,-1.8 -17,-2.4 -17,-0.1 41,-0.2 -0.668 68.4-160.5-128.2 77.0 -10.4 37.9 17.7 61 64 A P E +J 42 0C 0 0, 0.0 40,-2.8 0, 0.0 -19,-0.3 -0.146 21.6 175.9 -57.2 147.6 -11.5 35.3 15.1 62 65 A T E S- 0 0 10 -21,-1.9 46,-2.9 1,-0.6 49,-0.4 0.421 75.7 -10.9-125.5 -16.0 -10.9 36.0 11.4 63 66 A S E -J 41 0C 2 -22,-1.1 -1,-0.6 2,-0.2 -22,-0.5 -0.948 63.6-116.2-171.7 166.6 -12.2 32.6 10.2 64 67 A Y E + 0 0 11 -2,-0.3 2,-0.2 -24,-0.2 -22,-0.0 -0.022 69.4 122.6-110.2 33.5 -13.2 29.3 11.7 65 68 A Q E S- 0 0 77 2,-0.1 -24,-1.5 1,-0.1 2,-0.4 -0.616 71.4-106.9 -82.2 151.5 -10.6 27.2 10.1 66 69 A I E S+J 40 0C 15 -2,-0.2 8,-0.6 -26,-0.2 -26,-0.3 -0.696 75.7 51.8 -89.5 136.9 -8.6 25.5 12.8 67 70 A G E -L 73 0E 11 -28,-3.2 2,-0.3 -2,-0.4 6,-0.2 0.035 46.0-176.5 116.7 136.7 -5.0 26.6 13.6 68 71 A N E > -L 72 0E 13 4,-2.2 4,-2.8 -27,-0.1 3,-0.1 -0.977 41.6-101.1-156.9 164.6 -3.1 29.7 14.5 69 72 A R T 4 S+ 0 0 126 -2,-0.3 4,-0.1 1,-0.2 -28,-0.0 0.727 115.2 54.7 -61.1 -27.0 0.4 31.0 15.2 70 73 A Y T 4 S+ 0 0 5 2,-0.1 -1,-0.2 1,-0.1 -55,-0.1 0.923 125.2 15.6 -76.7 -45.1 -0.1 31.1 18.9 71 74 A L T 4 S- 0 0 3 1,-0.3 -55,-3.1 -56,-0.2 -54,-0.5 0.694 107.2-114.2-104.4 -24.6 -1.2 27.5 19.5 72 75 A G E < -L 68 0E 15 -4,-2.8 -4,-2.2 -57,-0.2 -1,-0.3 -0.713 43.3 -32.3 123.2-173.5 -0.3 25.6 16.4 73 76 A T E > -L 67 0E 72 -6,-0.2 4,-1.8 -2,-0.2 -6,-0.2 -0.357 51.8-109.6 -85.7 163.8 -1.8 23.7 13.4 74 77 A E H > S+ 0 0 31 -8,-0.6 4,-2.0 1,-0.2 -7,-0.1 0.824 120.6 55.8 -60.1 -31.4 -5.0 21.7 13.1 75 78 A Q H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.926 106.3 48.8 -66.8 -44.3 -2.8 18.6 12.8 76 79 A E H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.825 107.7 55.9 -65.7 -30.0 -1.1 19.4 16.1 77 80 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.950 109.1 46.9 -65.7 -46.6 -4.4 19.9 17.7 78 81 A K H X S+ 0 0 87 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.947 112.1 48.2 -57.9 -54.0 -5.4 16.4 16.6 79 82 A E H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.888 110.3 54.7 -55.3 -39.2 -2.2 14.8 17.8 80 83 A M H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.907 108.0 47.4 -61.7 -43.7 -2.7 16.6 21.1 81 84 A C H X S+ 0 0 5 -4,-2.2 4,-2.0 84,-0.3 -1,-0.2 0.841 112.3 51.2 -66.6 -33.7 -6.2 15.2 21.6 82 85 A A H X S+ 0 0 54 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.912 109.2 48.4 -69.9 -44.1 -4.8 11.7 20.8 83 86 A A H < S+ 0 0 22 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.859 110.5 54.3 -63.8 -33.7 -2.0 12.0 23.3 84 87 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.7 -5,-0.2 3,-1.8 0.938 105.7 51.1 -64.6 -46.6 -4.6 13.2 25.8 85 88 A E H ><5S+ 0 0 146 -4,-2.0 3,-2.2 1,-0.3 -1,-0.2 0.795 93.8 71.6 -63.1 -29.2 -6.8 10.1 25.2 86 89 A E T 3<5S+ 0 0 161 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.713 110.6 35.1 -59.9 -16.2 -3.8 7.8 25.8 87 90 A Y T < 5S- 0 0 100 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.159 121.0-105.8-120.7 13.0 -4.2 8.9 29.4 88 91 A G T < 5 + 0 0 53 -3,-2.2 2,-0.4 1,-0.2 -3,-0.3 0.740 69.2 151.5 68.2 22.5 -8.0 9.2 29.5 89 92 A I < - 0 0 7 -5,-2.7 -1,-0.2 -6,-0.1 -56,-0.2 -0.738 35.9-143.6 -91.0 132.1 -7.8 13.0 29.4 90 93 A K E -c 33 0A 51 -58,-2.2 -56,-2.2 -2,-0.4 2,-0.5 -0.606 9.2-137.6 -91.4 154.5 -10.7 14.9 27.8 91 94 A V E -c 34 0A 0 75,-0.3 77,-3.5 -2,-0.2 78,-1.6 -0.958 12.3-166.1-119.3 124.3 -10.2 18.1 25.8 92 95 A I E -cd 35 169A 0 -58,-2.8 -56,-2.0 -2,-0.5 2,-0.4 -0.935 13.5-146.1-110.0 125.9 -12.5 21.1 26.1 93 96 A V E -cd 36 170A 0 76,-3.1 78,-2.2 -2,-0.5 2,-0.8 -0.785 13.4-129.2 -97.2 130.7 -12.2 23.8 23.4 94 97 A D E - d 0 171A 0 -58,-0.5 2,-0.7 -2,-0.4 -55,-0.5 -0.648 30.9-158.8 -75.0 107.0 -12.7 27.5 24.1 95 98 A A E - d 0 172A 0 76,-2.7 78,-1.8 -2,-0.8 2,-1.1 -0.835 13.8-168.6 -98.7 114.6 -15.3 28.4 21.4 96 99 A V + 0 0 0 -2,-0.7 76,-0.1 76,-0.2 78,-0.1 -0.724 34.3 139.3 -99.8 83.6 -15.5 32.1 20.5 97 100 A I + 0 0 0 -2,-1.1 -1,-0.2 76,-0.3 3,-0.1 0.271 49.3 76.3-112.8 11.7 -18.7 32.1 18.4 98 101 A N S S- 0 0 0 75,-0.2 46,-2.5 1,-0.2 2,-0.3 0.786 107.6 -3.6 -87.6 -30.4 -20.4 35.3 19.5 99 102 A H B -M 143 0F 3 44,-0.3 44,-0.2 -40,-0.1 2,-0.2 -0.901 57.0-132.9-151.7 177.8 -18.2 37.5 17.5 100 103 A T - 0 0 0 42,-1.9 -38,-0.2 1,-0.3 4,-0.1 -0.566 55.5 -56.4-123.4-173.9 -15.2 38.0 15.2 101 104 A T - 0 0 0 -40,-2.8 41,-1.2 -41,-0.2 -1,-0.3 -0.142 43.9-124.5 -61.8 167.4 -12.3 40.5 15.3 102 105 A F S S+ 0 0 96 39,-0.2 2,-1.2 1,-0.1 -1,-0.1 0.756 91.4 88.8 -83.7 -29.9 -13.1 44.2 15.3 103 106 A D >> - 0 0 47 1,-0.2 3,-1.8 2,-0.1 4,-1.0 -0.599 61.0-167.7 -75.6 96.6 -10.9 44.8 12.3 104 107 A Y T 34 S+ 0 0 109 -2,-1.2 3,-0.2 1,-0.3 -1,-0.2 0.784 84.7 59.7 -54.3 -31.9 -13.3 44.2 9.4 105 108 A A T 34 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.694 102.2 53.0 -73.0 -19.2 -10.4 44.2 6.9 106 109 A A T <4 S+ 0 0 34 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.731 83.8 106.5 -86.8 -25.0 -8.8 41.2 8.7 107 110 A I S < S- 0 0 4 -4,-1.0 -44,-0.1 -3,-0.2 -45,-0.1 -0.248 77.6-110.0 -55.6 140.4 -11.9 39.1 8.5 108 111 A S >> - 0 0 24 -46,-2.9 4,-2.1 1,-0.1 3,-0.8 -0.393 11.3-122.8 -77.7 151.2 -11.6 36.3 6.0 109 112 A N H 3> S+ 0 0 130 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.819 111.5 69.1 -58.2 -29.4 -13.5 36.1 2.7 110 113 A E H 34 S+ 0 0 62 2,-0.2 3,-0.3 1,-0.2 -1,-0.3 0.929 105.4 38.1 -55.6 -47.5 -14.8 32.8 4.0 111 114 A V H X4 S+ 0 0 0 -3,-0.8 3,-2.5 -49,-0.4 -2,-0.2 0.957 112.8 55.3 -69.4 -49.8 -16.8 34.6 6.6 112 115 A K H 3< S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.652 93.0 73.9 -58.2 -14.7 -17.8 37.5 4.4 113 116 A S T 3< S+ 0 0 84 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.614 75.8 93.4 -75.1 -11.3 -19.2 35.0 1.9 114 117 A I S X S- 0 0 6 -3,-2.5 3,-0.8 -4,-0.1 2,-0.1 -0.750 87.0-120.1 -87.1 113.2 -22.1 34.4 4.3 115 118 A P T 3 S- 0 0 81 0, 0.0 35,-0.1 0, 0.0 36,-0.1 -0.281 89.7 -7.3 -54.2 122.1 -25.0 36.7 3.3 116 119 A N T 3 S+ 0 0 123 -4,-0.2 35,-0.1 1,-0.1 32,-0.1 0.960 82.5 160.9 54.3 59.4 -25.9 39.1 6.2 117 120 A W < + 0 0 13 -3,-0.8 28,-2.4 -5,-0.1 2,-0.4 0.518 47.0 60.7 -89.6 -6.0 -23.6 37.5 8.7 118 121 A T E -N 144 0F 31 26,-0.3 26,-0.2 27,-0.1 3,-0.1 -0.962 55.7-153.0-136.3 147.6 -23.3 40.3 11.2 119 122 A H E - 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