==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAY-12 4EYS . COMPND 2 MOLECULE: MCCC FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.NOCEK,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR STRUCTURAL GENO . 343 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.5 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 . 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 . 1 0.3 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 . 12 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 2 1 1 1 0 1 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 3 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 PARALLEL BRIDGES PER LADDER . 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 1 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 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 1 A X 0 0 150 0, 0.0 2,-0.5 0, 0.0 154,-0.2 0.000 360.0 360.0 360.0 -61.5 40.3 -14.5 32.1 2 2 A V + 0 0 14 152,-1.4 3,-0.1 1,-0.1 69,-0.0 -0.922 360.0 151.5-108.8 128.9 38.2 -12.5 29.5 3 3 A S + 0 0 65 -2,-0.5 34,-3.0 1,-0.3 2,-0.5 0.700 67.8 42.4-113.9 -57.2 34.7 -13.5 28.7 4 4 A T E -a 37 0A 22 66,-0.4 68,-1.9 32,-0.2 69,-1.1 -0.808 66.0-169.0 -96.7 131.4 32.9 -10.3 27.6 5 5 A I E -ab 38 73A 0 32,-1.9 34,-2.5 -2,-0.5 2,-0.5 -0.977 8.5-152.2-121.9 121.9 34.8 -7.9 25.3 6 6 A G E -ab 39 74A 0 67,-3.1 69,-2.8 -2,-0.5 2,-0.5 -0.839 5.9-147.5-103.0 127.8 33.3 -4.5 24.7 7 7 A I E -ab 40 75A 0 32,-2.8 34,-2.4 -2,-0.5 2,-0.4 -0.817 18.2-173.4 -99.0 125.6 34.1 -2.7 21.4 8 8 A V E - b 0 76A 0 67,-2.1 69,-3.0 -2,-0.5 2,-0.7 -0.968 22.3-149.4-122.0 143.3 34.4 1.1 21.5 9 9 A S + 0 0 0 -2,-0.4 52,-0.1 67,-0.2 53,-0.1 -0.904 32.8 154.9-106.6 96.8 34.8 3.7 18.8 10 10 A L S S+ 0 0 1 -2,-0.7 76,-0.2 68,-0.4 -1,-0.1 0.540 72.6 19.8-100.2 -6.7 36.8 6.5 20.4 11 11 A S S S+ 0 0 2 1,-0.5 69,-0.2 67,-0.4 68,-0.1 0.253 122.2 17.1-124.8-109.7 38.3 7.9 17.2 12 12 A S - 0 0 35 67,-2.3 -1,-0.5 1,-0.1 3,-0.4 -0.380 59.4-144.1 -70.2 146.1 36.9 7.3 13.7 13 13 A G > + 0 0 1 35,-0.3 3,-1.4 1,-0.2 34,-0.3 0.192 61.4 122.6 -87.7 15.4 33.3 6.0 13.4 14 14 A I G > + 0 0 35 1,-0.2 3,-2.2 33,-0.2 6,-0.2 0.708 53.7 73.9 -51.6 -32.8 34.1 3.8 10.4 15 15 A I G 3 S+ 0 0 4 -3,-0.4 -1,-0.2 1,-0.3 30,-0.1 0.697 92.2 56.1 -69.7 -15.6 33.0 0.4 11.9 16 16 A G G < S+ 0 0 30 -3,-1.4 -1,-0.3 28,-0.2 2,-0.2 0.476 86.0 106.9 -83.8 -5.5 29.4 1.2 11.6 17 17 A E S X S- 0 0 57 -3,-2.2 3,-1.5 -4,-0.2 4,-0.4 -0.494 73.7-127.5 -82.2 144.9 29.6 1.9 7.8 18 18 A D G > S+ 0 0 146 1,-0.2 3,-1.9 -2,-0.2 4,-0.4 0.880 103.7 64.7 -53.8 -41.4 28.1 -0.4 5.2 19 19 A F G 3 S+ 0 0 127 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.558 108.8 38.3 -69.2 -12.4 31.4 -0.6 3.2 20 20 A V G X> S+ 0 0 3 -3,-1.5 4,-2.3 -6,-0.2 3,-0.9 0.268 83.5 106.8-108.4 3.1 33.3 -2.3 6.1 21 21 A K H <> S+ 0 0 121 -3,-1.9 4,-2.6 -4,-0.4 5,-0.2 0.845 76.5 55.2 -54.7 -37.7 30.4 -4.6 7.2 22 22 A H H 3> S+ 0 0 38 -4,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.853 110.1 46.8 -63.1 -36.1 32.0 -7.7 5.8 23 23 A E H <> S+ 0 0 12 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.927 112.7 48.1 -71.4 -47.0 35.1 -7.0 7.8 24 24 A V H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 109.7 51.7 -57.6 -44.3 33.3 -6.3 11.0 25 25 A D H X S+ 0 0 79 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.910 109.0 53.0 -65.8 -35.6 31.1 -9.5 10.7 26 26 A L H X S+ 0 0 48 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.905 110.8 45.7 -61.4 -47.3 34.3 -11.5 10.2 27 27 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.887 108.7 54.5 -67.4 -37.2 35.9 -10.1 13.3 28 28 A I H X S+ 0 0 31 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.924 109.9 48.8 -55.6 -48.4 32.8 -10.6 15.4 29 29 A Q H X S+ 0 0 95 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.913 110.1 51.6 -63.3 -42.2 32.8 -14.3 14.4 30 30 A R H X S+ 0 0 20 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.876 106.9 51.9 -61.9 -39.7 36.5 -14.6 15.3 31 31 A L H <>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 -1,-0.2 0.911 111.5 48.1 -64.0 -43.2 35.9 -13.1 18.7 32 32 A K H ><5S+ 0 0 109 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.941 109.0 53.7 -56.4 -50.3 33.2 -15.7 19.3 33 33 A D H 3<5S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.738 103.5 57.5 -58.1 -26.6 35.5 -18.5 18.0 34 34 A L T 3<5S- 0 0 53 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.371 127.3 -99.4 -84.7 1.9 38.1 -17.4 20.5 35 35 A G T < 5S+ 0 0 57 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.626 80.7 131.2 88.7 17.4 35.6 -18.0 23.3 36 36 A L < - 0 0 13 -5,-2.3 -1,-0.3 -6,-0.2 -32,-0.2 -0.620 56.6-137.5-103.1 160.3 34.5 -14.4 23.8 37 37 A N E -a 4 0A 81 -34,-3.0 -32,-1.9 -2,-0.2 2,-0.3 -0.904 30.1-157.4-110.6 92.2 31.2 -12.6 24.0 38 38 A P E +a 5 0A 16 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.567 14.7 177.5 -80.4 133.6 31.7 -9.5 21.9 39 39 A I E -a 6 0A 58 -34,-2.5 -32,-2.8 -2,-0.3 2,-0.5 -0.985 23.4-135.2-131.9 145.9 29.5 -6.5 22.5 40 40 A F E -a 7 0A 53 -2,-0.4 -32,-0.1 -34,-0.2 -34,-0.1 -0.871 27.6-118.7 -98.6 131.6 29.4 -3.1 21.0 41 41 A L > - 0 0 4 -34,-2.4 3,-1.7 -2,-0.5 4,-0.4 -0.286 41.7 -93.4 -66.8 155.7 29.0 -0.2 23.3 42 42 A P T 3 S+ 0 0 94 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.709 120.4 28.9 -51.8 -35.8 25.8 1.8 22.6 43 43 A H T > S+ 0 0 37 14,-0.2 3,-2.0 1,-0.1 4,-0.2 0.438 91.4 100.1 -99.3 -2.5 27.2 4.5 20.2 44 44 A S T < S+ 0 0 0 -3,-1.7 3,-0.2 1,-0.3 -28,-0.2 0.698 87.1 40.9 -64.8 -22.8 30.1 2.4 18.6 45 45 A L T 3 S+ 0 0 79 -4,-0.4 -1,-0.3 -3,-0.2 3,-0.1 0.240 80.2 107.7-107.4 14.5 28.2 1.6 15.5 46 46 A K S < S- 0 0 120 -3,-2.0 4,-0.4 1,-0.2 -1,-0.1 0.594 80.3-122.1 -75.6 -10.3 26.6 5.0 14.8 47 47 A G > - 0 0 5 -34,-0.3 4,-2.1 -3,-0.2 5,-0.3 -0.157 30.8 -55.0 98.6 176.5 28.9 5.7 11.9 48 48 A L H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -35,-0.3 0.878 126.4 42.2 -60.0 -51.7 31.5 8.3 10.7 49 49 A D H > S+ 0 0 130 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 115.1 46.5 -69.3 -48.8 29.4 11.4 10.9 50 50 A F H > S+ 0 0 58 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.939 115.6 46.4 -55.4 -49.4 27.7 10.8 14.3 51 51 A I H < S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.2 7,-0.2 0.895 112.7 50.5 -66.2 -37.5 30.9 9.8 16.0 52 52 A K H < S+ 0 0 73 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.916 115.2 43.2 -62.7 -44.0 32.8 12.7 14.6 53 53 A D H < S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.615 114.4 51.1 -77.8 -16.5 30.2 15.1 15.7 54 54 A H >X + 0 0 64 -4,-1.1 4,-1.4 -3,-0.4 3,-1.3 -0.541 47.3 158.6-127.6 69.4 29.6 13.6 19.2 55 55 A P H 3> S+ 0 0 17 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.829 80.4 64.4 -56.0 -27.5 32.8 13.2 21.1 56 56 A E H 3> S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.811 98.5 52.9 -67.1 -32.5 30.6 13.2 24.2 57 57 A A H <> S+ 0 0 4 -3,-1.3 4,-2.1 2,-0.2 -14,-0.2 0.867 108.6 49.5 -71.4 -36.4 28.9 10.0 23.0 58 58 A R H X S+ 0 0 0 -4,-1.4 4,-2.2 -7,-0.2 -2,-0.2 0.896 111.0 49.1 -63.1 -47.8 32.3 8.4 22.7 59 59 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.906 108.9 53.9 -57.5 -41.7 33.2 9.5 26.2 60 60 A E H X S+ 0 0 118 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.918 108.4 49.8 -59.4 -45.5 29.8 8.0 27.4 61 61 A D H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.894 111.9 47.5 -61.5 -43.4 30.7 4.7 25.8 62 62 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.909 111.4 49.4 -67.6 -42.7 34.1 4.7 27.5 63 63 A I H X S+ 0 0 39 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 113.7 48.1 -60.5 -45.4 32.7 5.6 30.9 64 64 A H H X S+ 0 0 89 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.894 107.3 55.2 -62.8 -39.8 30.1 2.8 30.5 65 65 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.7 39.7 -62.1 -41.9 32.8 0.3 29.4 66 66 A F H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.3 50.3 -76.0 -33.4 34.8 0.9 32.6 67 67 A S H < S+ 0 0 63 -4,-2.1 2,-0.9 -5,-0.2 -2,-0.2 0.754 89.4 87.8 -77.2 -31.3 31.8 1.1 34.9 68 68 A D >< - 0 0 47 -4,-2.0 3,-2.5 -5,-0.2 -1,-0.1 -0.666 63.2-159.4 -82.3 107.0 30.1 -2.1 33.8 69 69 A D T 3 S+ 0 0 118 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.609 87.7 63.6 -63.8 -18.3 31.5 -5.0 35.9 70 70 A S T 3 S+ 0 0 66 -67,-0.0 2,-0.7 2,-0.0 -66,-0.4 0.593 81.8 89.0 -79.3 -13.9 30.5 -7.5 33.4 71 71 A I < + 0 0 2 -3,-2.5 -66,-0.2 -6,-0.2 3,-0.1 -0.788 51.8 179.3 -91.8 116.3 32.8 -6.1 30.7 72 72 A D + 0 0 57 -68,-1.9 32,-1.1 -2,-0.7 2,-0.3 0.680 64.5 19.4 -89.9 -20.9 36.2 -7.8 31.1 73 73 A X E -bc 5 104A 0 -69,-1.1 -67,-3.1 30,-0.2 2,-0.5 -0.997 60.7-144.8-154.2 145.6 38.0 -6.1 28.3 74 74 A I E -bc 6 105A 0 30,-2.8 32,-2.3 -2,-0.3 2,-0.5 -0.970 17.1-170.6-118.8 122.7 37.8 -2.9 26.2 75 75 A L E -bc 7 106A 0 -69,-2.8 -67,-2.1 -2,-0.5 32,-0.2 -0.956 19.7-131.8-116.7 118.5 38.9 -3.1 22.6 76 76 A C E -b 8 0A 1 30,-2.9 55,-2.8 -2,-0.5 -67,-0.2 -0.464 8.7-141.5 -71.1 137.4 39.2 -0.0 20.4 77 77 A A - 0 0 0 -69,-3.0 55,-2.9 1,-0.3 56,-0.5 0.938 66.9 -50.9 -59.6 -48.7 37.5 -0.2 17.0 78 78 A I - 0 0 39 -70,-0.3 -67,-0.4 53,-0.2 -68,-0.4 -0.932 58.4 -97.1 175.5 163.4 40.2 1.7 15.2 79 79 A G + 0 0 8 -2,-0.3 -67,-2.3 -68,-0.1 2,-0.3 0.248 36.9 157.5 -86.8-149.8 42.2 5.1 15.4 80 80 A G - 0 0 35 -69,-0.2 30,-0.2 -67,-0.1 -1,-0.1 -0.934 51.3 -87.2 156.7-142.4 41.6 8.3 13.7 81 81 A D S S+ 0 0 49 -2,-0.3 3,-0.1 28,-0.1 -70,-0.1 0.405 98.7 60.9-149.6 8.4 42.8 11.7 14.8 82 82 A D > + 0 0 5 1,-0.1 3,-2.1 2,-0.1 4,-0.2 0.209 50.0 117.4-129.5 18.5 40.4 13.5 17.2 83 83 A T G > + 0 0 0 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.711 65.2 80.6 -62.6 -18.4 40.0 11.5 20.4 84 84 A Y G > S+ 0 0 8 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.820 78.0 73.6 -48.8 -30.3 41.5 14.5 22.3 85 85 A R G < S+ 0 0 81 -3,-2.1 4,-0.4 1,-0.3 -1,-0.3 0.716 82.3 67.4 -63.3 -17.1 38.0 16.0 22.0 86 86 A L G X> S+ 0 0 0 -3,-2.1 4,-1.3 1,-0.2 3,-0.7 0.710 74.6 95.5 -71.8 -16.8 36.8 13.5 24.7 87 87 A L H X> S+ 0 0 1 -3,-2.0 4,-2.4 -4,-0.3 3,-0.9 0.864 82.0 45.3 -48.9 -54.0 38.9 15.3 27.4 88 88 A P H 3> S+ 0 0 40 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.900 112.9 51.0 -62.0 -30.2 36.3 17.6 28.8 89 89 A Y H <4 S+ 0 0 112 -3,-0.7 -2,-0.2 -4,-0.4 -3,-0.1 0.642 119.3 38.0 -78.1 -17.0 33.6 14.9 28.9 90 90 A L H << S+ 0 0 0 -4,-1.3 6,-2.6 -3,-0.9 7,-0.5 0.713 130.2 21.9 -99.4 -32.7 36.1 12.6 30.8 91 91 A F H >< S+ 0 0 21 -4,-2.4 3,-1.5 -5,-0.3 -2,-0.2 0.660 91.9 87.1-115.6 -18.8 37.9 15.0 33.1 92 92 A E T 3< S+ 0 0 94 -4,-1.7 -3,-0.1 -5,-0.4 -1,-0.1 0.863 114.7 13.7 -64.3 -39.0 36.1 18.2 33.8 93 93 A N T 3 S- 0 0 119 -5,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 -0.222 116.0 -96.4-122.4 38.0 34.1 16.7 36.8 94 94 A D S <> S+ 0 0 89 -3,-1.5 4,-2.2 1,-0.1 -3,-0.2 0.782 70.3 155.2 54.8 32.1 36.2 13.6 37.2 95 95 A Q H > S+ 0 0 58 1,-0.2 4,-0.6 2,-0.2 -4,-0.2 0.904 73.9 37.4 -56.8 -46.5 33.7 11.6 35.2 96 96 A L H >> S+ 0 0 0 -6,-2.6 4,-1.6 1,-0.2 3,-1.1 0.898 112.9 58.3 -74.5 -43.4 36.1 8.9 34.1 97 97 A Q H 34 S+ 0 0 110 -7,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.872 98.8 61.2 -51.0 -36.7 38.0 8.9 37.5 98 98 A K H 3< S+ 0 0 187 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.820 118.6 25.2 -65.7 -28.9 34.7 8.0 39.3 99 99 A V H << S+ 0 0 31 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.455 92.4 125.5-112.2 -10.8 34.3 4.7 37.3 100 100 A I < + 0 0 34 -4,-1.6 2,-0.3 -3,-0.2 -37,-0.0 -0.238 25.6 148.1 -62.6 143.1 37.9 3.9 36.5 101 101 A K - 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0 0 16 -5,-2.4 2,-0.5 -8,-0.1 -1,-0.3 -0.767 47.5-136.3-102.4 130.4 45.7 2.3 34.8 124 124 A K - 0 0 97 -2,-0.4 -19,-0.2 201,-0.1 2,-0.2 -0.761 34.1-173.8 -79.8 126.8 48.0 -0.1 33.1 125 125 A T - 0 0 2 -2,-0.5 199,-3.4 199,-0.3 2,-0.5 -0.676 22.4-119.4-120.5-179.8 47.0 -0.4 29.4 126 126 A F E -dE 106 323A 8 -21,-2.6 -19,-1.4 197,-0.2 2,-0.4 -0.982 24.2-158.9-131.3 120.7 47.9 -2.4 26.3 127 127 A Y E +dE 107 322A 0 195,-2.7 195,-3.2 -2,-0.5 -19,-0.2 -0.822 53.2 43.2-101.3 137.1 49.2 -0.9 23.0 128 128 A G S S+ 0 0 0 -21,-1.7 186,-0.4 -2,-0.4 2,-0.3 0.294 82.8 65.8 124.6 4.9 49.3 -2.1 19.5 129 129 A Q - 0 0 1 -3,-0.2 -1,-0.3 -22,-0.2 2,-0.3 -0.952 45.9-172.1-141.9 156.7 46.2 -3.8 18.1 130 130 A S >> - 0 0 2 -2,-0.3 4,-2.0 -23,-0.2 5,-1.3 -0.919 36.2-107.2-141.1 169.6 42.6 -2.9 17.3 131 131 A F I 4>S+ 0 0 0 -55,-2.8 5,-1.9 -2,-0.3 4,-0.5 0.978 116.0 35.5 -60.2 -58.8 39.4 -4.6 16.2 132 132 A L I 45S+ 0 0 19 -55,-2.9 -1,-0.2 1,-0.2 -54,-0.1 0.887 121.6 45.9 -64.0 -42.4 39.3 -3.4 12.6 133 133 A A I 45S+ 0 0 19 -56,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.837 132.7 7.1 -71.2 -36.2 43.0 -3.5 12.0 134 134 A D I ><5S+ 0 0 5 -4,-2.0 3,-1.2 3,-0.1 9,-0.3 0.774 126.8 48.1-118.0 -49.3 43.9 -7.0 13.6 135 135 A I I 3 - 0 0 16 -9,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.346 44.2-128.8 -55.4 129.4 48.0 -13.2 11.3 144 144 A A H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.866 104.1 45.7 -52.2 -50.4 49.8 -15.8 13.3 145 145 A Y H > S+ 0 0 33 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.910 115.2 47.6 -58.3 -46.9 52.1 -13.4 15.2 146 146 A S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.925 111.1 51.8 -58.7 -45.3 49.3 -11.0 15.9 147 147 A L H X S+ 0 0 50 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.889 101.2 62.1 -62.2 -36.1 47.1 -13.8 17.1 148 148 A H H X S+ 0 0 105 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.939 110.8 38.9 -54.5 -50.1 49.8 -15.1 19.5 149 149 A Y H X S+ 0 0 6 -4,-1.5 4,-2.3 170,-0.2 -2,-0.2 0.924 115.4 50.5 -72.4 -41.3 49.7 -11.8 21.4 150 150 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.937 112.8 47.2 -59.1 -47.3 45.9 -11.3 21.3 151 151 A K H X S+ 0 0 92 -4,-3.3 4,-2.0 1,-0.2 5,-0.2 0.905 110.4 52.4 -66.7 -38.4 45.3 -14.9 22.5 152 152 A E H X S+ 0 0 30 -4,-1.9 4,-2.8 -5,-0.3 6,-0.7 0.929 110.9 48.4 -59.2 -47.7 47.9 -14.5 25.3 153 153 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.949 113.5 44.2 -59.5 -46.6 46.2 -11.3 26.4 154 154 A I H < S+ 0 0 7 -4,-2.4 -152,-1.4 1,-0.2 -1,-0.2 0.803 119.7 43.7 -70.5 -28.2 42.7 -12.7 26.5 155 155 A E H < S+ 0 0 106 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.849 133.0 14.9 -84.5 -39.2 43.9 -15.9 28.2 156 156 A T H < S- 0 0 66 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.536 87.8-125.4-116.3 -10.4 46.2 -14.4 30.8 157 157 A G S < S+ 0 0 15 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.588 85.2 76.6 69.3 11.1 45.5 -10.7 31.0 158 158 A R S S- 0 0 120 -6,-0.7 2,-0.5 -5,-0.1 -2,-0.3 -0.949 71.4-135.7-142.7 160.2 49.2 -10.2 30.4 159 159 A I - 0 0 0 -2,-0.3 180,-0.1 1,-0.1 3,-0.1 -0.982 17.5-170.1-116.8 120.5 51.9 -10.2 27.8 160 160 A S - 0 0 61 -2,-0.5 179,-2.6 1,-0.2 2,-0.3 0.891 62.0 -15.2 -79.5 -35.3 55.0 -12.0 29.1 161 161 A E E -F 338 0B 60 177,-0.2 2,-0.4 167,-0.0 -1,-0.2 -0.982 52.3-133.7-161.9 158.9 57.5 -11.1 26.4 162 162 A I E +F 337 0B 2 175,-2.1 175,-2.4 -2,-0.3 160,-0.0 -0.994 22.2 173.7-123.3 129.8 58.0 -9.7 22.9 163 163 A R - 0 0 115 -2,-0.4 173,-0.2 173,-0.2 172,-0.1 -0.943 39.7 -88.9-125.0 155.8 60.2 -11.2 20.3 164 164 A P - 0 0 35 0, 0.0 2,-0.1 0, 0.0 147,-0.1 -0.268 39.0-114.9 -64.9 147.7 60.6 -10.2 16.6 165 165 A S - 0 0 6 1,-0.1 26,-0.3 2,-0.1 3,-0.0 -0.415 13.7-132.6 -73.0 151.5 58.4 -11.7 13.9 166 166 A D S S+ 0 0 125 -2,-0.1 23,-2.5 22,-0.1 2,-0.3 0.786 88.9 22.1 -75.0 -27.0 60.0 -13.8 11.2 167 167 A V E -I 188 0C 28 21,-0.3 2,-0.3 23,-0.0 21,-0.2 -0.849 65.1-151.1-130.6 162.3 58.2 -11.9 8.5 168 168 A W E -I 187 0C 12 19,-2.6 19,-2.8 -2,-0.3 2,-0.4 -0.954 16.4-143.1-131.0 160.8 56.5 -8.5 7.9 169 169 A Y E -IJ 186 317C 51 148,-2.2 148,-1.1 -2,-0.3 117,-0.4 -0.923 11.5-118.9-125.1 145.7 53.7 -7.7 5.6 170 170 A E - 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