==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-05 1Z2L . COMPND 2 MOLECULE: ALLANTOATE AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.AGARWAL,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX RESEARCH CEN . 821 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 13.6 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 47 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 4 0 2 2 0 0 0 0 0 1 1 0 1 3 2 4 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 3 1 0 2 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 4 4 4 2 0 0 0 2 2 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 0 2 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 3 A L > 0 0 72 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -45.3 58.5 46.5 53.8 2 4 A I H > + 0 0 49 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.921 360.0 48.3 -53.5 -49.6 59.9 43.3 52.1 3 5 A T H > S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.759 109.1 55.3 -65.7 -25.2 58.2 41.1 54.7 4 6 A H H > S+ 0 0 104 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.936 109.8 43.5 -73.7 -47.5 54.9 43.0 54.3 5 7 A F H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.823 107.6 62.1 -67.3 -29.1 54.7 42.4 50.5 6 8 A R H X S+ 0 0 92 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.949 106.4 44.3 -59.7 -48.3 55.8 38.8 51.0 7 9 A Q H X S+ 0 0 122 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.883 110.7 54.5 -64.1 -40.0 52.6 38.1 53.1 8 10 A A H X S+ 0 0 20 -4,-1.8 4,-2.1 1,-0.2 3,-0.4 0.923 110.3 46.8 -60.7 -43.2 50.4 40.0 50.6 9 11 A I H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.913 106.2 57.9 -63.8 -45.0 51.7 37.8 47.7 10 12 A E H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.787 112.5 41.9 -58.5 -28.3 51.2 34.6 49.7 11 13 A E H X S+ 0 0 127 -4,-1.3 4,-0.5 -3,-0.4 -1,-0.2 0.869 123.6 32.3 -87.5 -40.0 47.5 35.5 50.1 12 14 A T H X S+ 0 0 6 -4,-2.1 4,-2.4 -5,-0.2 5,-0.3 0.866 104.3 65.3 -89.4 -39.4 46.7 36.7 46.6 13 15 A L H X S+ 0 0 22 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.902 103.7 47.6 -53.6 -47.7 48.9 34.8 44.1 14 16 A P H > S+ 0 0 77 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.907 111.5 53.1 -62.5 -38.0 47.2 31.4 44.8 15 17 A W H >X S+ 0 0 60 -4,-0.5 3,-0.9 1,-0.2 4,-0.6 0.965 112.2 42.1 -58.7 -55.3 43.8 33.0 44.5 16 18 A L H >< S+ 0 0 2 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.864 111.0 57.0 -62.4 -36.7 44.4 34.6 41.1 17 19 A S H 3< S+ 0 0 14 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.684 91.7 72.4 -69.4 -18.8 46.2 31.4 39.8 18 20 A S H X< S+ 0 0 66 -3,-0.9 3,-1.4 -4,-0.9 2,-0.9 0.867 82.4 76.3 -65.7 -35.4 43.1 29.3 40.5 19 21 A F T << S+ 0 0 24 -3,-0.8 -1,-0.1 -4,-0.6 16,-0.0 -0.663 107.6 16.8 -81.1 108.3 41.2 30.8 37.6 20 22 A G T 3 S+ 0 0 7 -2,-0.9 8,-2.7 1,-0.3 -1,-0.3 0.470 84.1 155.5 109.3 4.6 42.6 29.2 34.5 21 23 A A B < -A 27 0A 59 -3,-1.4 -1,-0.3 6,-0.2 6,-0.2 -0.437 36.0-138.9 -64.2 137.5 44.3 26.3 36.2 22 24 A D > - 0 0 49 4,-2.8 3,-2.1 1,-0.1 -1,-0.1 -0.894 11.2-151.7-107.3 125.7 44.6 23.4 33.7 23 25 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.781 101.9 61.8 -60.8 -26.7 43.9 19.8 34.8 24 26 A A T 3 S- 0 0 82 1,-0.2 3,-0.1 -3,-0.1 2,-0.1 0.590 128.9 -80.1 -75.1 -10.3 46.4 18.8 32.1 25 27 A G S < S+ 0 0 26 -3,-2.1 -1,-0.2 1,-0.3 2,-0.1 -0.009 87.2 13.7 118.7 137.6 49.0 20.8 34.1 26 28 A G S S- 0 0 29 358,-0.1 -4,-2.8 61,-0.1 2,-0.4 -0.323 99.0 -38.3 71.6-152.1 50.0 24.4 34.5 27 29 A M B -AB 21 88A 9 61,-2.4 61,-1.9 -6,-0.2 2,-0.3 -0.890 43.6-178.0-114.4 143.5 47.9 27.3 33.4 28 30 A T + 0 0 31 -8,-2.7 2,-0.4 -2,-0.4 58,-0.1 -0.800 20.2 150.7-141.7 93.3 45.8 27.6 30.2 29 31 A R - 0 0 0 56,-0.3 55,-1.7 -2,-0.3 2,-0.2 -0.789 22.6-177.7-128.9 84.4 44.2 31.0 30.0 30 32 A L > - 0 0 34 -2,-0.4 3,-1.3 53,-0.2 6,-0.4 -0.498 39.5 -73.4 -86.5 153.9 43.7 31.8 26.2 31 33 A L T 3 S- 0 0 7 1,-0.2 -1,-0.1 53,-0.2 94,-0.1 -0.124 112.1 -4.3 -48.6 128.7 42.3 35.1 24.7 32 34 A Y T 3 S+ 0 0 5 1,-0.2 -1,-0.2 92,-0.1 135,-0.1 0.819 96.7 137.2 55.0 38.4 38.5 35.4 25.0 33 35 A S S <> S- 0 0 12 -3,-1.3 4,-2.5 1,-0.1 -1,-0.2 -0.629 71.8-104.5-103.7 166.7 38.0 32.0 26.6 34 36 A P H > S+ 0 0 101 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.914 124.4 52.8 -60.2 -35.9 35.7 31.4 29.6 35 37 A E H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.892 108.3 50.7 -63.0 -38.7 38.8 31.1 31.8 36 38 A W H > S+ 0 0 0 -6,-0.4 4,-2.1 2,-0.2 5,-0.2 0.941 110.2 50.1 -62.6 -48.9 40.0 34.5 30.5 37 39 A L H X S+ 0 0 36 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.912 111.0 47.0 -57.3 -49.1 36.6 36.1 31.2 38 40 A E H X S+ 0 0 86 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.909 110.3 53.3 -62.5 -42.5 36.3 34.9 34.8 39 41 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.930 111.5 45.3 -58.4 -48.0 39.9 35.9 35.6 40 42 A Q H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.888 114.6 48.7 -64.5 -39.8 39.3 39.5 34.4 41 43 A Q H X S+ 0 0 107 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.910 112.9 46.4 -68.6 -41.3 35.9 39.7 36.2 42 44 A Q H X S+ 0 0 58 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.916 113.1 48.6 -68.2 -41.4 37.3 38.5 39.5 43 45 A F H X S+ 0 0 2 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.852 111.6 51.0 -66.8 -33.7 40.3 40.7 39.4 44 46 A K H X S+ 0 0 64 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.914 107.8 51.6 -69.1 -44.5 38.2 43.7 38.6 45 47 A K H X S+ 0 0 147 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.912 110.0 50.0 -58.9 -44.5 35.8 43.1 41.5 46 48 A R H X S+ 0 0 99 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.852 109.7 49.9 -64.2 -37.1 38.7 42.9 44.0 47 49 A M H <>S+ 0 0 2 -4,-1.5 5,-2.1 2,-0.2 4,-0.3 0.880 111.2 50.1 -70.5 -35.2 40.2 46.1 42.7 48 50 A A H ><5S+ 0 0 46 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.960 108.2 50.3 -66.9 -50.4 36.8 47.9 43.1 49 51 A A H 3<5S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.832 106.1 60.4 -55.2 -31.8 36.2 46.6 46.6 50 52 A S T 3<5S- 0 0 26 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.604 127.0 -99.6 -71.9 -14.5 39.7 48.0 47.3 51 53 A G T < 5S+ 0 0 52 -3,-2.4 2,-0.2 -4,-0.3 -3,-0.2 0.524 77.3 131.7 108.8 7.3 38.6 51.5 46.4 52 54 A L < - 0 0 12 -5,-2.1 2,-0.8 14,-0.1 -1,-0.3 -0.605 60.9-115.8 -94.0 153.9 39.8 51.9 42.7 53 55 A E E -C 65 0B 94 12,-2.7 12,-2.6 -2,-0.2 2,-0.2 -0.793 43.1-166.3 -88.4 107.5 37.8 53.1 39.8 54 56 A T E +C 64 0B 28 -2,-0.8 2,-0.3 10,-0.2 10,-0.2 -0.650 17.9 150.2-102.9 154.5 37.6 50.2 37.4 55 57 A R E -C 63 0B 75 8,-1.2 8,-2.2 -2,-0.2 2,-0.4 -0.977 34.8-124.4-167.0 166.2 36.6 49.8 33.7 56 58 A F E -C 62 0B 61 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.938 24.3-142.0-118.3 140.6 37.1 47.7 30.5 57 59 A D > - 0 0 25 4,-1.9 3,-1.0 -2,-0.4 84,-0.0 -0.298 44.8 -76.3 -90.3-171.9 38.1 49.4 27.2 58 60 A E T 3 S+ 0 0 121 1,-0.2 113,-0.2 2,-0.1 -1,-0.0 0.772 127.8 36.4 -57.2 -32.5 36.7 48.3 23.8 59 61 A V T 3 S- 0 0 0 78,-0.1 -1,-0.2 111,-0.1 111,-0.1 0.393 122.9 -87.1-106.4 5.9 38.8 45.2 23.4 60 62 A G S < S+ 0 0 0 -3,-1.0 2,-0.4 1,-0.3 -2,-0.1 0.622 71.4 146.4 106.2 8.6 39.0 43.8 27.0 61 63 A N - 0 0 0 76,-0.1 -4,-1.9 62,-0.1 2,-0.4 -0.691 40.5-142.3 -77.8 132.6 42.0 45.6 28.6 62 64 A L E -CD 56 122B 2 60,-2.1 60,-2.2 -2,-0.4 2,-0.3 -0.833 16.8-166.1-103.2 136.6 41.1 46.1 32.3 63 65 A Y E -CD 55 121B 4 -8,-2.2 -8,-1.2 -2,-0.4 2,-0.5 -0.907 16.7-163.5-123.3 150.2 42.1 49.2 34.3 64 66 A G E -CD 54 120B 1 56,-2.1 56,-2.2 -2,-0.3 2,-0.3 -0.941 25.0-164.5-129.8 106.9 42.2 50.1 38.0 65 67 A R E -CD 53 119B 37 -12,-2.6 -12,-2.7 -2,-0.5 2,-0.4 -0.761 22.2-175.9-106.5 144.5 42.4 53.9 38.5 66 68 A L E - D 0 118B 25 52,-2.3 52,-2.2 -2,-0.3 2,-0.1 -0.961 29.5-134.9-130.6 108.4 43.3 56.2 41.4 67 69 A N - 0 0 75 -2,-0.4 2,-0.2 50,-0.2 50,-0.1 -0.372 14.2-130.3 -72.4 141.4 42.9 59.9 40.6 68 70 A G - 0 0 10 4,-0.2 47,-0.3 6,-0.2 49,-0.2 -0.494 4.4-136.6 -88.0 160.2 45.5 62.5 41.5 69 71 A T S S+ 0 0 92 45,-2.5 46,-0.2 47,-0.2 47,-0.1 0.759 95.4 24.9 -86.6 -29.5 45.0 65.9 43.3 70 72 A E S S+ 0 0 121 45,-1.6 46,-0.2 44,-0.3 3,-0.1 0.815 133.2 24.1-104.7 -42.4 47.2 68.3 41.2 71 73 A Y E > +e 116 0B 83 44,-2.6 3,-1.9 1,-0.1 46,-0.9 -0.514 66.1 163.1-124.6 63.7 47.6 66.8 37.7 72 74 A P E 3 S+ 0 0 57 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 0.792 73.6 57.2 -53.6 -30.2 44.5 64.6 37.3 73 75 A Q E 3 S+ 0 0 148 -3,-0.1 2,-0.5 -6,-0.1 43,-0.1 0.668 90.4 84.5 -78.4 -14.1 44.9 64.4 33.5 74 76 A E E < - 0 0 61 -3,-1.9 43,-1.7 109,-0.1 2,-0.5 -0.766 66.7-160.1 -91.2 129.6 48.4 63.0 33.7 75 77 A V E -ef 117 183B 0 107,-2.0 109,-2.4 -2,-0.5 110,-1.2 -0.923 18.0-161.5-120.8 130.5 48.7 59.2 34.2 76 78 A V E -ef 118 185B 3 41,-2.5 43,-2.4 -2,-0.5 2,-0.3 -0.916 26.6-160.9-102.6 117.8 51.4 57.0 35.4 77 79 A L E +ef 119 186B 0 108,-2.8 110,-2.0 -2,-0.6 2,-0.3 -0.767 17.0 171.1-106.3 146.9 50.6 53.4 34.2 78 80 A S E +ef 120 187B 2 41,-2.0 43,-1.7 -2,-0.3 2,-0.3 -0.975 26.9 83.6-153.6 137.5 51.9 50.0 35.4 79 81 A G E -e 121 0B 0 108,-1.0 2,-0.3 -2,-0.3 110,-0.2 -0.986 43.0-134.1 164.6-163.4 50.9 46.4 34.6 80 82 A S E -e 122 0B 0 41,-1.4 43,-1.7 -2,-0.3 2,-0.2 -0.909 40.9 -54.9-166.2-172.3 51.3 43.5 32.1 81 83 A H E -e 123 0B 0 -2,-0.3 16,-0.2 41,-0.2 15,-0.2 -0.508 27.1-159.5 -84.0 148.8 49.4 40.8 30.2 82 84 A I + 0 0 2 41,-1.9 12,-0.2 -2,-0.2 42,-0.1 0.608 63.5 90.5-100.8 -13.3 46.9 38.3 31.7 83 85 A D - 0 0 1 40,-0.4 2,-0.2 41,-0.2 -53,-0.2 -0.323 56.8-164.1 -78.9 167.3 46.9 35.6 29.0 84 86 A T - 0 0 6 -55,-1.7 45,-0.2 9,-0.1 -53,-0.2 -0.824 23.6 -93.0-139.8 177.2 49.2 32.6 29.0 85 87 A V > - 0 0 24 -2,-0.2 3,-1.1 4,-0.1 -56,-0.3 -0.427 57.3 -84.5 -87.2 170.7 50.6 29.8 26.7 86 88 A V T 3 S+ 0 0 84 1,-0.3 2,-0.5 -58,-0.1 297,-0.1 0.910 120.2 7.7 -42.5 -70.4 48.9 26.4 26.6 87 89 A N T 3 S+ 0 0 61 295,-0.2 -1,-0.3 -61,-0.1 -59,-0.2 -0.607 99.4 139.8-116.4 72.3 50.6 24.7 29.5 88 90 A G B < -B 27 0A 1 -61,-1.9 -61,-2.4 -3,-1.1 2,-0.1 -0.274 48.6 -90.1-100.9-170.6 52.6 27.6 31.0 89 91 A G - 0 0 7 -63,-0.2 -1,-0.2 -2,-0.1 -4,-0.1 -0.224 28.9-111.1 -94.0-174.0 53.3 28.9 34.5 90 92 A N S S+ 0 0 24 296,-0.4 -73,-0.1 294,-0.2 3,-0.0 0.016 104.5 55.1-108.0 25.2 51.6 31.2 36.9 91 93 A L S > S+ 0 0 10 3,-0.1 4,-1.3 4,-0.1 5,-0.5 0.651 74.0 97.5-121.6 -39.8 54.1 34.1 36.9 92 94 A D T 4 S- 0 0 6 1,-0.2 2,-1.3 2,-0.1 98,-0.1 -0.385 108.3 -18.7 -59.3 112.2 54.6 35.1 33.2 93 95 A G T >> S+ 0 0 2 -2,-0.4 4,-1.0 1,-0.2 3,-0.9 -0.563 128.9 65.7 92.7 -74.7 52.3 38.1 32.7 94 96 A Q H 3> S+ 0 0 3 -2,-1.3 4,-2.2 1,-0.2 3,-0.3 0.809 93.4 61.6 -56.9 -33.1 49.8 38.0 35.6 95 97 A F H 3X S+ 0 0 3 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.892 100.6 55.3 -62.3 -37.3 52.4 38.7 38.3 96 98 A G H <> S+ 0 0 2 -3,-0.9 4,-1.0 -5,-0.5 -1,-0.2 0.833 110.6 43.8 -62.7 -34.5 53.3 42.0 36.7 97 99 A A H X S+ 0 0 1 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.832 113.0 52.9 -78.1 -34.7 49.6 43.1 36.9 98 100 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 107.2 51.2 -65.6 -46.5 49.3 41.8 40.4 99 101 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.830 105.2 55.9 -61.4 -35.6 52.3 43.7 41.7 100 102 A A H X S+ 0 0 0 -4,-1.0 4,-2.6 2,-0.2 5,-0.2 0.940 109.6 46.5 -64.4 -44.7 51.1 47.0 40.3 101 103 A W H X S+ 0 0 14 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.918 114.0 47.6 -62.5 -44.8 47.8 46.6 42.2 102 104 A L H X S+ 0 0 17 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.894 112.5 49.7 -65.3 -39.9 49.6 45.7 45.5 103 105 A A H >X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 3,-0.6 0.981 112.4 45.6 -62.8 -55.4 52.1 48.5 45.1 104 106 A I H 3X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.882 109.8 55.4 -56.5 -40.6 49.4 51.2 44.5 105 107 A D H 3X S+ 0 0 55 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.863 112.0 42.9 -62.7 -35.2 47.3 49.9 47.4 106 108 A W H + 0 0 25 -2,-0.4 4,-2.5 -10,-0.1 5,-0.3 0.750 63.6 153.8 71.6 28.5 49.8 42.2 20.9 136 138 A W H > S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 -10,-0.1 0.761 72.9 49.5 -57.7 -25.0 46.1 42.6 20.3 137 139 A G H > S+ 0 0 0 -12,-1.6 4,-1.2 2,-0.1 3,-0.5 0.979 116.2 32.9 -79.1 -65.4 45.9 44.3 23.7 138 140 A S H > S+ 0 0 0 -13,-0.3 4,-1.0 1,-0.2 3,-0.2 0.856 113.8 61.4 -62.4 -35.6 48.7 46.9 23.7 139 141 A K H <>S+ 0 0 49 -4,-2.5 5,-3.1 1,-0.2 6,-0.6 0.873 103.2 50.0 -60.3 -36.7 48.3 47.6 20.0 140 142 A N H ><5S+ 0 0 1 -4,-0.6 3,-1.9 -3,-0.5 -1,-0.2 0.829 98.6 65.9 -71.2 -33.0 44.7 48.8 20.4 141 143 A I H 3<5S+ 0 0 6 -4,-1.2 39,-1.9 1,-0.3 -1,-0.2 0.868 112.2 35.4 -55.8 -36.3 45.6 51.1 23.3 142 144 A F T 3<5S- 0 0 13 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.063 117.3-112.2-106.2 23.0 47.6 53.2 20.7 143 145 A G T < 5S+ 0 0 16 -3,-1.9 -3,-0.2 35,-0.2 -2,-0.1 0.735 81.6 123.4 54.1 31.7 45.2 52.6 17.8 144 146 A L < + 0 0 67 -5,-3.1 -4,-0.2 -6,-0.2 -1,-0.1 0.518 48.0 86.1 -96.7 -7.6 47.7 50.4 15.9 145 147 A A - 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