==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-09 3HBD . COMPND 2 MOLECULE: CLASS IV CHITINASE CHIA4-PA2; . SOURCE 2 ORGANISM_SCIENTIFIC: PICEA ABIES; . AUTHOR W.UBHAYASEKERA,S.L.MOWBRAY . 204 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.9 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 1 1 0 0 1 2 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 48 A S >> 0 0 112 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -1.5 -6.2 -20.5 10.7 2 49 A V H >> + 0 0 1 1,-0.3 4,-3.0 2,-0.2 3,-1.3 0.854 360.0 66.6 -58.1 -35.2 -7.4 -18.6 7.6 3 50 A G H 34 S+ 0 0 31 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.749 93.9 61.2 -56.4 -25.6 -10.5 -17.3 9.5 4 51 A G H <4 S+ 0 0 75 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.794 113.9 32.2 -72.1 -30.7 -8.2 -15.3 11.7 5 52 A I H << S+ 0 0 35 -3,-1.3 2,-0.8 -4,-0.6 -2,-0.2 0.822 122.3 48.0 -92.3 -40.9 -6.9 -13.3 8.7 6 53 A I S < S- 0 0 0 -4,-3.0 -1,-0.2 4,-0.0 2,-0.1 -0.884 79.4-164.4-107.9 102.0 -10.1 -13.2 6.7 7 54 A S > - 0 0 52 -2,-0.8 4,-2.6 -3,-0.2 5,-0.2 -0.371 34.9-111.7 -78.6 163.2 -13.1 -12.2 8.8 8 55 A Q H > S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.910 122.2 54.2 -55.3 -40.9 -16.7 -12.7 8.0 9 56 A S H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 107.6 47.8 -60.9 -46.2 -16.8 -8.8 7.9 10 57 A F H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 113.7 47.9 -61.4 -47.9 -13.9 -8.7 5.3 11 58 A F H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 3,-0.3 0.931 108.8 51.8 -61.3 -48.6 -15.6 -11.3 3.2 12 59 A N H X S+ 0 0 82 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.848 105.2 59.2 -57.9 -32.9 -19.0 -9.7 3.2 13 60 A G H < S+ 0 0 52 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.915 112.2 38.5 -56.6 -47.3 -17.2 -6.5 2.1 14 61 A L H >< S+ 0 0 19 -4,-1.6 3,-0.9 -3,-0.3 4,-0.3 0.937 121.0 44.0 -66.1 -50.7 -16.0 -8.3 -1.0 15 62 A A H >< S+ 0 0 13 -4,-3.1 3,-0.9 1,-0.2 -2,-0.2 0.769 104.1 64.2 -70.1 -27.6 -19.2 -10.2 -1.6 16 63 A G T 3< S+ 0 0 46 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 0.552 83.9 73.6 -82.2 -8.3 -21.6 -7.3 -1.0 17 64 A G T < S+ 0 0 71 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.770 76.6 101.8 -71.6 -28.6 -20.4 -5.2 -3.9 18 65 A A S < S- 0 0 12 -3,-0.9 51,-0.1 -4,-0.3 52,-0.1 -0.237 86.0-103.5 -56.2 140.0 -22.2 -7.5 -6.3 19 66 A A > - 0 0 56 1,-0.1 3,-1.9 2,-0.1 6,-0.2 -0.345 30.3-119.3 -55.5 144.8 -25.6 -6.5 -7.8 20 67 A S T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -3,-0.1 5,-0.1 0.837 114.3 61.2 -62.1 -27.1 -28.4 -8.4 -6.0 21 68 A S T 3 S+ 0 0 112 3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.453 79.5 111.5 -76.2 -1.8 -29.4 -9.8 -9.4 22 69 A a S X S- 0 0 16 -3,-1.9 3,-0.8 1,-0.1 50,-0.1 -0.527 71.0-134.9 -71.2 139.9 -25.9 -11.5 -9.7 23 70 A E T 3 S+ 0 0 85 48,-0.3 49,-0.2 1,-0.2 -1,-0.1 0.837 103.3 61.0 -61.8 -31.8 -26.0 -15.4 -9.5 24 71 A G T >> S+ 0 0 1 47,-2.9 4,-2.5 43,-0.1 3,-2.2 0.744 76.8 105.3 -69.4 -23.9 -23.0 -15.3 -7.2 25 72 A K T <4 S+ 0 0 82 -3,-0.8 4,-0.1 46,-0.4 46,-0.1 -0.425 98.3 4.3 -66.6 116.5 -24.8 -13.3 -4.5 26 73 A G T 34 S+ 0 0 65 2,-0.4 -1,-0.3 -2,-0.4 3,-0.1 0.290 124.2 75.4 89.8 -9.6 -25.7 -15.6 -1.7 27 74 A F T <4 S+ 0 0 23 -3,-2.2 2,-1.0 1,-0.2 -2,-0.2 0.847 84.2 60.3 -96.9 -50.3 -23.8 -18.4 -3.5 28 75 A Y S < S+ 0 0 8 -4,-2.5 -2,-0.4 42,-0.2 2,-0.3 -0.731 82.3 172.9 -77.2 101.2 -20.2 -17.2 -2.7 29 76 A T > - 0 0 37 -2,-1.0 4,-2.2 -3,-0.1 5,-0.2 -0.819 47.2-124.9-119.5 153.7 -20.4 -17.4 1.1 30 77 A Y H > S+ 0 0 36 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.891 112.0 57.3 -60.1 -39.8 -17.9 -17.0 3.9 31 78 A N H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 107.9 45.8 -58.2 -45.1 -18.8 -20.5 5.2 32 79 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.906 112.6 51.2 -67.2 -42.5 -17.9 -22.2 1.9 33 80 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.946 111.4 45.8 -60.1 -51.0 -14.7 -20.3 1.6 34 81 A I H X S+ 0 0 34 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.924 112.7 51.2 -62.9 -41.9 -13.5 -21.2 5.2 35 82 A A H X S+ 0 0 42 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.944 114.5 43.9 -55.6 -47.8 -14.5 -24.8 4.6 36 83 A A H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 4,-0.4 0.893 111.8 52.5 -65.1 -43.2 -12.5 -24.9 1.3 37 84 A A H >< S+ 0 0 4 -4,-3.0 3,-1.1 1,-0.2 6,-0.3 0.906 108.3 50.9 -62.5 -40.2 -9.5 -23.1 2.9 38 85 A N H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.689 100.1 65.2 -74.1 -16.6 -9.3 -25.6 5.7 39 86 A A T << S+ 0 0 53 -4,-0.9 2,-0.5 -3,-0.6 -1,-0.2 0.600 94.9 62.8 -80.0 -13.2 -9.3 -28.6 3.3 40 87 A Y S X S- 0 0 23 -3,-1.1 3,-2.1 -4,-0.4 -1,-0.2 -0.875 85.7-130.5-121.3 99.2 -6.0 -27.7 1.7 41 88 A S T 3 S+ 0 0 120 -2,-0.5 3,-0.1 1,-0.2 -3,-0.1 -0.112 90.1 16.1 -46.5 124.8 -2.9 -27.7 4.0 42 89 A G T >> S+ 0 0 19 1,-0.3 3,-1.4 -4,-0.1 4,-0.7 0.221 82.8 139.1 96.4 -18.2 -0.7 -24.6 3.7 43 90 A F T <4 S- 0 0 1 -3,-2.1 -1,-0.3 1,-0.3 -41,-0.2 -0.521 91.2 -18.1 -66.9 111.3 -3.3 -22.4 2.0 44 91 A G T 34 S+ 0 0 0 -2,-0.6 -1,-0.3 -3,-0.1 -39,-0.1 0.673 128.4 85.2 64.6 16.4 -3.1 -18.9 3.6 45 92 A T T <4 + 0 0 60 -3,-1.4 2,-0.5 6,-0.1 -2,-0.2 0.190 62.4 104.0-127.6 12.8 -1.2 -20.6 6.5 46 93 A T S < S- 0 0 48 -4,-0.7 9,-0.2 5,-0.1 -2,-0.1 -0.848 77.7 -13.3-102.1 125.9 2.3 -20.6 5.1 47 94 A G S S- 0 0 51 -2,-0.5 108,-0.0 4,-0.1 -5,-0.0 -0.291 99.5 -21.3 88.4-171.0 4.9 -18.1 6.3 48 95 A S S > S- 0 0 69 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.159 73.6 -92.8 -70.2 169.3 4.7 -14.9 8.4 49 96 A N H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 128.6 50.9 -50.0 -43.2 1.6 -12.9 8.9 50 97 A D H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 110.3 50.2 -67.3 -37.0 2.5 -10.6 5.9 51 98 A V H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 111.6 47.3 -61.9 -47.1 3.1 -13.7 3.7 52 99 A K H X S+ 0 0 43 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.916 112.7 49.7 -62.4 -44.1 -0.3 -15.2 4.6 53 100 A K H X S+ 0 0 56 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.905 111.0 48.9 -62.6 -42.9 -2.0 -11.9 4.0 54 101 A R H X S+ 0 0 59 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.883 110.8 50.6 -65.8 -37.5 -0.4 -11.5 0.6 55 102 A E H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 113.6 44.9 -63.0 -46.3 -1.4 -15.1 -0.4 56 103 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.918 113.3 49.4 -66.3 -41.6 -5.0 -14.5 0.6 57 104 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.883 111.9 49.7 -61.2 -39.6 -5.1 -11.1 -1.1 58 105 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.895 111.3 49.5 -67.0 -41.0 -3.6 -12.7 -4.3 59 106 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.968 115.3 42.6 -60.5 -52.4 -6.2 -15.5 -4.1 60 107 A F H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.865 109.6 56.6 -66.7 -35.5 -9.1 -13.0 -3.7 61 108 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.934 111.7 44.0 -61.5 -44.6 -7.8 -10.6 -6.3 62 109 A N H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.888 113.7 50.2 -65.6 -40.7 -7.8 -13.4 -8.9 63 110 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 7,-0.4 0.933 110.3 50.7 -59.6 -46.3 -11.2 -14.6 -7.7 64 111 A M H X>S+ 0 0 4 -4,-3.2 5,-2.9 1,-0.2 4,-0.6 0.896 112.5 47.0 -61.7 -39.0 -12.6 -11.1 -8.0 65 112 A H H ><5S+ 0 0 41 -4,-1.9 3,-1.1 -5,-0.2 -2,-0.2 0.975 113.7 46.2 -65.0 -53.0 -11.3 -10.8 -11.5 66 113 A E H 3<5S+ 0 0 53 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.766 121.0 37.5 -61.8 -32.6 -12.5 -14.2 -12.7 67 114 A T H 3X>S- 0 0 0 -4,-2.3 5,-2.5 35,-0.2 4,-1.7 0.293 110.7-111.9-104.3 5.8 -16.1 -13.7 -11.3 68 115 A G T <<5S- 0 0 44 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.917 89.3 -35.6 61.4 43.4 -16.6 -10.0 -11.9 69 116 A G T 4 - 0 0 39 31,-0.4 3,-1.9 -2,-0.1 -1,-0.1 -0.821 30.0-111.5 -90.6 126.7 -19.5 -36.9 -21.1 93 140 A S T 3 S+ 0 0 120 -2,-0.6 3,-0.1 1,-0.3 -1,-0.0 -0.287 101.3 19.1 -53.3 133.8 -21.8 -36.2 -24.1 94 141 A G T 3 S+ 0 0 76 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.508 100.5 113.7 85.1 3.6 -24.1 -33.3 -23.5 95 142 A K < - 0 0 58 -3,-1.9 2,-0.4 28,-0.0 -1,-0.3 -0.803 54.5-146.7-106.3 151.1 -22.0 -31.9 -20.6 96 143 A S - 0 0 21 -2,-0.3 -14,-0.2 -3,-0.1 -15,-0.1 -0.972 10.1-165.6-119.9 133.2 -20.2 -28.6 -20.7 97 144 A Y + 0 0 0 -16,-3.6 10,-2.4 -2,-0.4 3,-0.1 -0.132 40.6 144.0-104.6 36.2 -16.9 -27.9 -18.9 98 145 A H - 0 0 23 8,-0.2 -2,-0.1 1,-0.2 7,-0.1 -0.226 64.9 -62.1 -68.9 166.3 -17.1 -24.1 -19.3 99 146 A G + 0 0 0 5,-0.1 -24,-2.4 -25,-0.1 2,-0.3 -0.178 62.8 171.0 -57.4 128.9 -15.8 -21.9 -16.4 100 147 A R B > +AB 74 105A 18 5,-1.0 5,-1.6 -26,-0.2 3,-0.3 -0.997 36.6 8.3-136.2 146.1 -17.6 -22.3 -13.1 101 148 A G T > 5S- 0 0 0 -28,-1.9 3,-2.0 -2,-0.3 36,-0.1 -0.149 103.7 -35.1 86.9-178.6 -16.9 -21.1 -9.6 102 149 A P T 3 5S+ 0 0 0 0, 0.0 -35,-0.2 0, 0.0 -36,-0.2 0.754 141.5 27.8 -57.7 -31.3 -14.4 -18.6 -8.0 103 150 A L T 3 5S- 0 0 18 -3,-0.3 -2,-0.1 33,-0.3 3,-0.1 0.186 110.4-115.2-116.5 19.2 -11.5 -19.4 -10.3 104 151 A Q T < 5 - 0 0 23 -3,-2.0 -3,-0.2 1,-0.2 -5,-0.1 0.900 30.9-147.2 51.6 56.4 -13.7 -20.4 -13.3 105 152 A L B < -B 100 0A 10 -5,-1.6 -5,-1.0 -6,-0.1 2,-0.3 -0.293 25.9-177.3 -48.7 124.6 -12.6 -24.1 -13.5 106 153 A S + 0 0 24 -7,-0.2 4,-0.3 -3,-0.1 -8,-0.2 -0.958 27.6 38.2-135.2 151.9 -12.7 -25.1 -17.2 107 154 A W S > S- 0 0 74 -10,-2.4 4,-2.5 -2,-0.3 3,-0.3 0.461 74.8 -98.5 87.7 140.0 -12.1 -28.2 -19.4 108 155 A N H > S+ 0 0 0 -26,-1.5 4,-2.7 1,-0.2 5,-0.2 0.887 120.6 55.9 -52.9 -43.3 -12.9 -31.9 -18.9 109 156 A Y H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 110.9 44.3 -62.1 -40.1 -9.3 -32.7 -17.8 110 157 A N H > S+ 0 0 27 -4,-0.3 4,-2.8 -3,-0.3 5,-0.2 0.907 113.1 49.9 -68.2 -43.5 -9.5 -30.1 -15.0 111 158 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 11,-0.3 0.918 111.2 50.3 -61.5 -43.0 -13.0 -31.1 -13.9 112 159 A G H X S+ 0 0 6 -4,-2.7 4,-2.1 10,-0.2 10,-0.3 0.956 114.4 42.8 -57.8 -50.6 -12.0 -34.8 -13.7 113 160 A A H X S+ 0 0 21 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.906 114.8 49.8 -65.7 -45.6 -8.9 -34.1 -11.6 114 161 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.931 109.7 52.1 -56.7 -46.7 -10.7 -31.6 -9.3 115 162 A G H X>S+ 0 0 1 -4,-2.7 4,-2.9 -5,-0.2 5,-1.6 0.899 107.3 51.8 -57.1 -47.0 -13.5 -34.2 -8.8 116 163 A K H <5S+ 0 0 177 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.901 115.1 42.4 -57.9 -43.4 -11.1 -36.9 -7.8 117 164 A S H <5S+ 0 0 57 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.920 122.7 36.4 -66.5 -44.8 -9.4 -34.6 -5.2 118 165 A I H <5S- 0 0 26 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.759 111.9-106.0 -87.2 -32.5 -12.7 -33.0 -3.8 119 166 A G T <5S+ 0 0 69 -4,-2.9 2,-0.3 1,-0.4 -3,-0.2 0.792 78.7 99.6 106.3 38.1 -15.1 -36.0 -3.8 120 167 A F S - 0 0 70 -2,-0.3 4,-2.6 1,-0.2 7,-0.2 -0.683 38.8-178.3 -88.8 94.9 -17.9 -36.8 -10.3 122 169 A G T 4 S+ 0 0 3 -2,-1.2 -10,-0.2 -10,-0.3 -1,-0.2 0.820 78.8 44.8 -64.4 -34.9 -16.3 -33.9 -12.3 123 170 A L T 4 S+ 0 0 21 -12,-0.2 -31,-0.4 2,-0.2 -1,-0.2 0.897 123.6 32.3 -78.7 -40.5 -16.9 -35.5 -15.7 124 171 A N T 4 S+ 0 0 69 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.693 132.0 29.6 -90.7 -20.7 -20.5 -36.6 -15.1 125 172 A N >< + 0 0 71 -4,-2.6 3,-1.9 1,-0.1 4,-0.2 -0.320 63.3 145.8-135.2 55.0 -21.7 -33.8 -12.8 126 173 A P G > + 0 0 1 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.823 67.9 74.3 -59.9 -30.3 -19.6 -30.7 -13.7 127 174 A E G > S+ 0 0 98 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.703 76.0 79.2 -56.2 -20.1 -22.7 -28.6 -12.8 128 175 A K G X> S+ 0 0 85 -3,-1.9 4,-2.6 1,-0.3 3,-1.0 0.818 83.1 63.1 -55.5 -32.5 -22.0 -29.4 -9.1 129 176 A V G <4 S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.792 109.5 40.2 -65.6 -26.4 -19.3 -26.6 -9.2 130 177 A G G <4 S+ 0 0 15 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.410 121.1 43.4 -97.8 1.1 -22.2 -24.1 -9.9 131 178 A Q T <4 S+ 0 0 122 -3,-1.0 2,-0.5 -4,-0.4 -2,-0.2 0.647 104.3 56.3-121.9 -29.9 -24.6 -25.7 -7.4 132 179 A D X - 0 0 61 -4,-2.6 4,-2.7 -5,-0.1 -1,-0.2 -0.950 64.5-155.6-111.6 116.3 -22.8 -26.5 -4.2 133 180 A S H > S+ 0 0 30 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.867 93.7 47.2 -55.2 -44.7 -21.0 -23.5 -2.6 134 181 A T H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.935 113.3 47.5 -66.9 -45.6 -18.4 -25.5 -0.7 135 182 A I H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.919 111.1 54.2 -59.4 -40.6 -17.5 -27.7 -3.7 136 183 A S H X S+ 0 0 0 -4,-2.7 4,-1.1 -8,-0.3 3,-0.3 0.957 111.8 41.7 -59.5 -53.7 -17.3 -24.4 -5.8 137 184 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.4 0.884 109.7 59.9 -62.7 -37.1 -14.8 -22.8 -3.4 138 185 A K H X S+ 0 0 56 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.882 100.3 55.7 -58.3 -38.0 -12.9 -26.1 -3.1 139 186 A T H X S+ 0 0 2 -4,-2.1 4,-1.9 -3,-0.3 -1,-0.2 0.860 108.9 47.3 -62.5 -33.0 -12.2 -26.1 -6.8 140 187 A A H X S+ 0 0 1 -4,-1.1 4,-2.4 -3,-0.4 -2,-0.2 0.920 114.6 44.1 -76.5 -47.7 -10.6 -22.7 -6.6 141 188 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.919 114.1 52.3 -60.9 -42.9 -8.4 -23.6 -3.6 142 189 A W H X>S+ 0 0 13 -4,-3.0 4,-3.2 -5,-0.2 5,-1.1 0.933 111.4 46.2 -55.5 -45.8 -7.6 -27.0 -5.3 143 190 A F H X5S+ 0 0 37 -4,-1.9 4,-0.8 -5,-0.2 7,-0.3 0.934 113.4 49.0 -64.9 -45.4 -6.5 -25.2 -8.4 144 191 A W H <5S+ 0 0 0 -4,-2.4 7,-1.9 1,-0.2 8,-0.3 0.875 125.2 28.0 -58.2 -42.7 -4.5 -22.6 -6.5 145 192 A M H <5S+ 0 0 31 -4,-2.4 -2,-0.2 5,-0.2 -1,-0.2 0.772 136.2 17.4 -93.6 -36.2 -2.6 -25.3 -4.4 146 193 A K H <5S+ 0 0 144 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.624 122.9 43.7-118.5 -22.6 -2.5 -28.5 -6.6 147 194 A N S < S+ 0 0 111 -2,-0.3 4,-3.0 17,-0.3 5,-0.2 0.283 84.0 108.6 -88.2 10.3 1.9 -22.7 -9.7 150 197 A C H > S+ 0 0 0 -7,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.916 80.4 40.4 -55.3 -55.2 -0.1 -20.0 -7.9 151 198 A H H > S+ 0 0 35 -7,-1.9 4,-1.1 -3,-0.3 -1,-0.2 0.926 117.6 49.0 -61.3 -47.2 0.7 -21.1 -4.3 152 199 A S H 4 S+ 0 0 49 -4,-0.3 3,-0.5 -8,-0.3 4,-0.3 0.919 110.4 51.6 -59.5 -42.3 4.4 -21.8 -5.1 153 200 A A H ><>S+ 0 0 1 -4,-3.0 5,-2.0 1,-0.2 3,-1.2 0.933 111.8 44.4 -60.9 -46.0 4.8 -18.4 -6.9 154 201 A I H 3<5S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.618 116.8 46.8 -81.1 -11.2 3.4 -16.3 -4.0 155 202 A T T 3<5S+ 0 0 47 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.197 110.1 52.2-111.2 13.2 5.4 -18.2 -1.4 156 203 A S T < 5S- 0 0 76 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.1 0.092 120.5 -95.1-131.6 18.6 8.7 -18.2 -3.3 157 204 A G T 5S+ 0 0 57 -4,-0.1 -3,-0.2 -3,-0.1 -4,-0.1 0.515 89.5 121.3 85.6 8.4 9.0 -14.4 -3.9 158 205 A Q >< - 0 0 87 -5,-2.0 4,-1.1 -6,-0.3 -4,-0.2 0.571 61.9-153.5 -79.9 -11.5 7.5 -14.3 -7.4 159 206 A G H >> - 0 0 11 -6,-0.7 4,-0.9 2,-0.2 3,-0.6 0.035 40.4 -44.7 75.2-176.2 4.8 -11.9 -6.1 160 207 A F H >> S+ 0 0 0 40,-0.4 4,-1.8 38,-0.4 3,-1.2 0.897 136.6 58.9 -59.7 -39.3 1.3 -11.2 -7.3 161 208 A G H 3> S+ 0 0 2 40,-2.5 4,-2.4 1,-0.3 -1,-0.3 0.844 98.9 60.2 -60.0 -31.7 2.5 -11.1 -10.9 162 209 A G H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 3,-0.6 0.953 110.4 50.0 -60.6 -46.6 -1.1 -14.0 -12.9 165 212 A K H 3< S+ 0 0 118 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.880 110.0 51.0 -55.1 -44.0 1.6 -15.8 -14.8 166 213 A A H 3< S+ 0 0 29 -4,-1.8 -17,-0.3 2,-0.2 -1,-0.2 0.745 119.0 36.4 -67.4 -28.5 0.5 -19.1 -13.2 167 214 A I H << S+ 0 0 38 -4,-1.5 2,-0.3 -3,-0.6 -2,-0.2 0.904 134.8 8.2 -92.2 -51.2 -3.1 -18.5 -14.1 168 215 A N >< - 0 0 45 -4,-3.2 3,-1.7 -5,-0.2 4,-0.4 -0.721 59.9-177.6-143.2 82.6 -3.1 -16.8 -17.5 169 216 A S G > S+ 0 0 93 -4,-0.3 3,-1.3 -2,-0.3 6,-0.2 0.813 78.9 65.9 -40.5 -45.5 0.3 -16.7 -19.2 170 217 A M G 3 S+ 0 0 145 1,-0.2 -1,-0.3 5,-0.1 -5,-0.1 0.656 90.0 64.3 -64.4 -16.8 -1.0 -14.8 -22.2 171 218 A E G < >S+ 0 0 2 -3,-1.7 5,-2.2 4,-0.2 3,-0.3 0.797 88.9 86.3 -75.4 -27.5 -1.9 -11.6 -20.2 172 219 A b T X 5S+ 0 0 10 -3,-1.3 3,-1.2 -4,-0.4 5,-0.1 -0.152 78.3 31.6 -78.3 167.4 1.8 -11.0 -19.2 173 220 A N T 3 5S- 0 0 157 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.890 140.0 -50.8 51.4 44.7 4.5 -9.0 -21.2 174 221 A G T 3 5S+ 0 0 65 30,-0.4 3,-0.4 -3,-0.3 -1,-0.3 0.584 103.7 129.9 73.4 11.6 1.8 -6.7 -22.7 175 222 A G T < 5S- 0 0 52 -3,-1.2 -4,-0.2 1,-0.3 -3,-0.2 0.921 95.3 -8.2 -60.8 -45.3 -0.4 -9.6 -23.9 176 223 A N >< + 0 0 64 -5,-2.2 4,-2.0 1,-0.1 3,-0.4 -0.613 68.0 179.6-152.5 88.7 -3.4 -7.9 -22.2 177 224 A S H > S+ 0 0 86 -3,-0.4 4,-2.4 1,-0.2 5,-0.1 0.816 84.1 56.3 -59.5 -33.1 -2.4 -4.9 -20.1 178 225 A G H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 105.7 49.4 -69.0 -38.5 -6.0 -4.3 -19.2 179 226 A E H > S+ 0 0 70 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.947 112.7 48.1 -65.8 -48.0 -6.5 -7.8 -17.8 180 227 A V H X S+ 0 0 11 -4,-2.0 4,-3.2 -9,-0.3 5,-0.3 0.924 110.8 51.5 -55.4 -46.2 -3.4 -7.4 -15.7 181 228 A S H X S+ 0 0 72 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.862 107.3 53.6 -62.5 -36.8 -4.5 -4.0 -14.5 182 229 A S H X S+ 0 0 41 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.932 113.9 40.9 -59.3 -52.3 -7.9 -5.5 -13.5 183 230 A R H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.953 116.5 48.8 -61.4 -50.0 -6.2 -8.2 -11.3 184 231 A V H X S+ 0 0 10 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.872 107.5 56.1 -62.0 -39.0 -3.5 -5.8 -10.0 185 232 A N H X S+ 0 0 88 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.938 109.5 45.4 -58.8 -49.4 -6.2 -3.2 -9.1 186 233 A Y H X S+ 0 0 66 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.906 112.2 52.7 -56.4 -46.4 -8.1 -5.8 -6.9 187 234 A Y H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.923 110.0 46.9 -60.1 -44.9 -4.9 -7.0 -5.3 188 235 A K H X S+ 0 0 106 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.904 113.5 48.5 -64.4 -41.3 -3.8 -3.5 -4.3 189 236 A K H X S+ 0 0 120 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.938 113.8 46.6 -63.2 -47.1 -7.3 -2.7 -2.9 190 237 A I H X S+ 0 0 2 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.910 110.3 52.2 -65.9 -43.8 -7.4 -5.9 -0.9 191 238 A C H X>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-0.9 0.938 108.8 50.9 -54.9 -49.7 -3.9 -5.5 0.5 192 239 A S H <5S+ 0 0 90 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.879 110.7 49.5 -56.3 -37.9 -4.8 -2.0 1.7 193 240 A Q H <5S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.748 113.0 45.9 -69.2 -29.4 -7.9 -3.5 3.4 194 241 A L H <5S- 0 0 22 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.500 112.8-122.1 -91.7 -5.6 -5.9 -6.2 5.1 195 242 A G T <5 + 0 0 63 -4,-0.9 2,-0.4 -3,-0.4 -3,-0.2 0.798 67.5 131.5 70.0 33.7 -3.2 -3.6 6.1 196 243 A V < - 0 0 9 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 -0.918 63.4-112.7-120.1 140.8 -0.4 -5.4 4.3 197 244 A D - 0 0 113 -2,-0.4 -143,-0.1 1,-0.1 -9,-0.0 -0.533 26.0-131.5 -64.5 135.0 2.2 -4.1 1.9 198 245 A P - 0 0 37 0, 0.0 -38,-0.4 0, 0.0 -1,-0.1 0.697 41.9-150.8 -67.5 -19.8 1.6 -5.5 -1.6 199 246 A G - 0 0 29 -40,-0.1 3,-0.3 -39,-0.1 2,-0.2 -0.288 26.4 -41.7 84.4-168.3 5.3 -6.4 -2.0 200 247 A A S S+ 0 0 73 1,-0.2 -40,-0.4 2,-0.1 -39,-0.2 -0.512 111.9 35.1 -96.0 165.0 7.5 -6.7 -5.0 201 248 A N + 0 0 100 -2,-0.2 -40,-2.5 -42,-0.2 -39,-0.5 0.873 67.0 158.0 62.8 39.7 6.7 -8.1 -8.5 202 249 A V + 0 0 23 -3,-0.3 2,-0.2 -42,-0.2 -2,-0.1 0.866 59.2 28.1 -68.5 -40.8 3.1 -6.9 -8.3 203 250 A S 0 0 72 -43,-0.1 -42,-0.2 -42,-0.1 -41,-0.1 -0.552 360.0 360.0-113.0-176.0 2.5 -6.9 -12.1 204 251 A b 0 0 45 -2,-0.2 -30,-0.4 -33,-0.1 -24,-0.1 -0.940 360.0 360.0-148.5 360.0 3.8 -8.8 -15.1