==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-FEB-07 2P0O . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN DUF871; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR M.E.CUFF,M.ZHOU,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCT . 353 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 24 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 1 0 2 1 1 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 3 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 PARALLEL BRIDGES PER LADDER . 4 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 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 0 A A 0 0 122 0, 0.0 2,-0.4 0, 0.0 211,-0.2 0.000 360.0 360.0 360.0 73.2 82.2 73.5 30.5 2 1 A X E -a 212 0A 32 209,-1.7 211,-2.2 27,-0.1 2,-0.4 -0.834 360.0-167.7-109.6 133.7 79.4 75.5 32.3 3 2 A Y E -a 213 0A 43 25,-0.5 27,-2.1 -2,-0.4 28,-1.0 -0.933 24.5-179.9-106.2 142.1 78.9 76.7 35.8 4 3 A G E -ab 214 31A 0 209,-2.7 211,-2.5 -2,-0.4 2,-0.3 -0.872 20.5-145.2-139.1 169.0 75.4 78.0 36.7 5 4 A I E - b 0 32A 0 26,-2.5 28,-2.4 -2,-0.3 2,-0.3 -0.862 18.4-125.0-126.3 162.7 73.1 79.5 39.4 6 5 A S E - b 0 33A 3 211,-0.6 2,-0.4 -2,-0.3 28,-0.2 -0.836 16.8-164.9-108.4 147.8 69.4 79.1 40.4 7 6 A V - 0 0 8 26,-2.1 2,-0.6 -2,-0.3 28,-0.5 -0.989 12.0-144.1-130.6 139.9 66.9 81.9 40.7 8 7 A F > - 0 0 34 -2,-0.4 3,-0.7 26,-0.1 28,-0.1 -0.924 12.8-175.6-111.6 109.6 63.6 81.6 42.5 9 8 A L T 3 + 0 0 2 -2,-0.6 -1,-0.1 26,-0.3 4,-0.1 0.278 65.6 94.6 -91.4 10.5 60.8 83.6 40.8 10 9 A G T 3 S+ 0 0 39 25,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.462 93.0 44.7 -73.6 -3.5 58.2 82.7 43.5 11 10 A E S < S- 0 0 105 -3,-0.7 2,-0.1 3,-0.0 3,-0.0 -0.919 105.8 -85.5-135.5 160.2 59.4 86.0 45.0 12 11 A E - 0 0 106 -2,-0.3 2,-0.8 1,-0.1 -2,-0.1 -0.454 53.2-101.3 -68.1 139.5 60.1 89.5 43.6 13 12 A I - 0 0 19 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.1 -0.535 45.8-153.5 -68.0 103.6 63.6 89.9 42.2 14 13 A T > - 0 0 70 -2,-0.8 4,-1.7 1,-0.1 5,-0.1 -0.162 25.7-112.8 -70.5 169.0 65.5 91.8 45.0 15 14 A N H > S+ 0 0 123 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.882 120.1 58.8 -71.0 -35.8 68.5 94.0 44.4 16 15 A D H > S+ 0 0 115 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.926 104.9 50.3 -53.5 -44.4 70.5 91.5 46.4 17 16 A T H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.911 112.1 45.6 -62.4 -45.5 69.5 88.9 43.7 18 17 A I H X S+ 0 0 48 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.948 113.0 50.4 -60.9 -51.8 70.5 91.2 40.8 19 18 A I H X S+ 0 0 84 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.945 113.1 48.7 -46.9 -52.7 73.8 92.0 42.6 20 19 A Y H X S+ 0 0 15 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.892 109.4 49.8 -53.4 -52.5 74.3 88.3 43.1 21 20 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.948 113.0 47.1 -56.8 -49.4 73.6 87.4 39.5 22 21 A K H X S+ 0 0 112 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.900 113.5 47.8 -60.1 -44.9 76.0 90.0 38.2 23 22 A K H X S+ 0 0 91 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.900 109.2 53.6 -63.5 -41.3 78.8 88.9 40.6 24 23 A X H ><>S+ 0 0 0 -4,-2.7 5,-2.0 2,-0.2 3,-0.6 0.924 106.3 52.9 -63.1 -43.1 78.3 85.2 39.7 25 24 A K H ><5S+ 0 0 49 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.941 108.8 49.2 -53.3 -51.8 78.8 86.1 36.0 26 25 A A H 3<5S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.693 106.8 58.5 -61.3 -17.9 82.1 87.9 36.8 27 26 A L T <<5S- 0 0 15 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.339 132.3 -88.7 -93.2 7.9 83.1 84.8 38.8 28 27 A G T < 5S+ 0 0 15 -3,-2.0 2,-0.5 1,-0.3 -25,-0.5 0.671 82.7 135.5 94.9 19.4 82.7 82.5 35.8 29 28 A F < + 0 0 1 -5,-2.0 -1,-0.3 -6,-0.1 -25,-0.2 -0.902 20.6 171.2-100.0 122.4 79.0 81.5 36.0 30 29 A D + 0 0 60 -27,-2.1 29,-2.2 -2,-0.5 2,-0.3 0.320 51.8 65.1-113.6 4.4 77.2 81.6 32.5 31 30 A G E -bc 4 59A 0 -28,-1.0 -26,-2.5 27,-0.3 2,-0.4 -0.955 52.3-158.8-137.9 151.3 73.9 80.0 33.2 32 31 A I E -bc 5 60A 0 27,-1.7 29,-2.8 -2,-0.3 2,-0.4 -0.983 5.7-165.7-125.0 136.9 70.7 80.4 35.2 33 32 A F E +bc 6 61A 6 -28,-2.4 -26,-2.1 -2,-0.4 2,-0.3 -0.968 13.2 175.4-114.2 137.8 68.1 77.7 36.1 34 33 A T E - c 0 62A 1 27,-2.1 29,-3.2 -2,-0.4 2,-0.5 -0.994 18.7-152.9-143.8 139.7 64.7 78.6 37.4 35 34 A S E - c 0 63A 22 -28,-0.5 2,-0.5 -2,-0.3 -26,-0.3 -0.954 17.5-157.4-116.2 119.4 61.6 76.5 38.2 36 35 A L E + c 0 64A 8 27,-2.9 29,-0.6 -2,-0.5 2,-0.4 -0.846 18.3 177.1-106.7 128.5 58.2 78.1 37.9 37 36 A H + 0 0 136 -2,-0.5 -2,-0.0 27,-0.1 27,-0.0 -0.986 7.7 178.5-121.0 115.8 54.9 77.2 39.5 38 37 A I 0 0 8 -2,-0.4 33,-0.1 3,-0.0 -2,-0.0 -0.801 360.0 360.0-118.6 85.1 52.0 79.6 38.6 39 38 A P 0 0 135 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.266 360.0 360.0 -83.2 360.0 48.7 78.6 40.2 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 44 A L > 0 0 163 0, 0.0 4,-0.8 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 173.7 52.5 88.3 38.1 42 45 A Y H > + 0 0 57 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.760 360.0 69.0 -86.8 -28.0 55.2 85.9 37.0 43 46 A R H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.872 104.1 44.7 -58.9 -39.9 55.2 86.9 33.4 44 47 A Q H > S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.841 110.0 55.8 -73.7 -33.7 56.7 90.3 34.3 45 48 A R H X S+ 0 0 48 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.894 109.7 45.9 -58.9 -43.1 59.1 88.6 36.7 46 49 A L H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.868 110.1 53.5 -69.6 -36.9 60.4 86.4 33.8 47 50 A T H X S+ 0 0 61 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.864 110.9 47.8 -63.7 -39.0 60.6 89.5 31.5 48 51 A D H X S+ 0 0 54 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.895 113.8 46.8 -65.6 -42.3 62.8 91.2 34.3 49 52 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.936 108.9 52.6 -69.9 -47.5 65.0 88.1 34.6 50 53 A G H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.838 107.6 55.2 -52.0 -35.0 65.5 87.6 30.8 51 54 A A H X S+ 0 0 54 -4,-1.1 4,-2.1 2,-0.2 5,-0.2 0.943 108.7 45.9 -66.9 -47.1 66.6 91.3 30.7 52 55 A I H X S+ 0 0 22 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.954 116.3 46.3 -56.9 -50.0 69.2 90.7 33.3 53 56 A A H X>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 4,-1.0 0.869 110.4 50.8 -65.3 -42.4 70.4 87.5 31.5 54 57 A K H <5S+ 0 0 110 -4,-3.0 3,-0.5 31,-0.2 -1,-0.2 0.939 115.4 43.6 -57.8 -47.3 70.5 89.0 28.0 55 58 A A H <5S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.833 118.7 44.0 -65.4 -34.8 72.6 92.0 29.3 56 59 A E H <5S- 0 0 48 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.536 111.0-122.0 -92.1 -6.8 74.8 89.7 31.3 57 60 A K T <5 + 0 0 174 -4,-1.0 2,-0.3 -3,-0.5 -3,-0.2 0.977 62.1 141.3 59.7 61.0 75.1 87.1 28.5 58 61 A X < - 0 0 12 -5,-2.4 -27,-0.3 -8,-0.1 -1,-0.2 -0.950 48.4-121.4-132.5 149.3 73.8 84.2 30.5 59 62 A K E -c 31 0A 68 -29,-2.2 -27,-1.7 -2,-0.3 2,-0.4 -0.477 17.2-151.7 -87.1 158.9 71.5 81.4 29.6 60 63 A I E -c 32 0A 0 -29,-0.2 28,-1.8 -2,-0.1 29,-1.5 -0.943 7.1-169.8-135.3 115.6 68.2 80.6 31.2 61 64 A X E -cd 33 89A 5 -29,-2.8 -27,-2.1 -2,-0.4 2,-0.6 -0.909 15.3-156.5 -97.8 124.8 66.7 77.1 31.5 62 65 A V E -cd 34 90A 1 27,-2.4 29,-2.9 -2,-0.6 2,-0.7 -0.913 6.4-158.5-108.0 118.5 63.1 77.3 32.7 63 66 A D E +cd 35 91A 21 -29,-3.2 -27,-2.9 -2,-0.6 2,-0.3 -0.839 35.1 147.8 -92.8 117.5 61.6 74.3 34.4 64 67 A I E -cd 36 92A 3 27,-2.1 29,-0.6 -2,-0.7 30,-0.3 -0.997 46.8-111.2-154.1 143.0 57.8 74.7 34.0 65 68 A S > - 0 0 42 -29,-0.6 4,-1.8 -2,-0.3 5,-0.2 -0.421 34.7-112.2 -74.3 156.1 54.7 72.5 33.6 66 69 A G H > S+ 0 0 4 28,-0.9 4,-1.4 1,-0.2 10,-0.1 0.845 118.6 45.9 -52.1 -40.8 52.8 72.5 30.3 67 70 A E H > S+ 0 0 103 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.875 108.4 53.6 -74.6 -43.3 49.8 74.2 32.1 68 71 A A H 4 S+ 0 0 3 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.806 108.4 53.1 -60.3 -31.6 51.9 76.8 33.9 69 72 A L H ><>S+ 0 0 4 -4,-1.8 5,-1.6 2,-0.2 3,-1.1 0.915 112.5 42.0 -69.5 -46.5 53.4 77.8 30.5 70 73 A K H ><5S+ 0 0 126 -4,-1.4 3,-2.0 1,-0.3 -2,-0.2 0.911 112.0 55.1 -65.8 -42.6 50.0 78.3 28.9 71 74 A R T 3<5S+ 0 0 137 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.225 101.3 61.6 -76.1 15.2 48.7 80.1 32.0 72 75 A A T < 5S- 0 0 15 -3,-1.1 -1,-0.3 2,-0.3 -2,-0.2 0.197 122.2-106.4-117.7 7.0 51.7 82.4 31.6 73 76 A G T < 5S+ 0 0 59 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.412 87.2 111.9 81.3 -0.9 50.4 83.6 28.2 74 77 A F < - 0 0 11 -5,-1.6 -1,-0.3 7,-0.0 2,-0.3 -0.565 51.3-155.1 -93.8 162.2 53.1 81.6 26.3 75 78 A S B > -I 78 0B 46 3,-0.6 3,-1.2 -2,-0.2 7,-0.2 -0.992 21.0-132.2-135.0 145.3 52.6 78.5 24.1 76 79 A F T 3 S+ 0 0 11 -2,-0.3 3,-0.2 1,-0.3 -1,-0.0 0.689 107.5 53.7 -65.8 -20.2 55.2 75.8 23.3 77 80 A D T 3 S+ 0 0 114 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.551 107.3 51.8 -92.6 -9.9 54.4 76.1 19.5 78 81 A E B < +I 75 0B 114 -3,-1.2 -3,-0.6 1,-0.1 4,-0.3 -0.737 64.3 154.1-128.8 82.3 55.0 79.8 19.4 79 82 A L > + 0 0 3 -2,-0.4 4,-2.3 -3,-0.2 5,-0.2 0.547 42.5 94.5 -94.8 -9.0 58.4 80.4 21.0 80 83 A E H > S+ 0 0 103 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.899 87.8 49.3 -51.4 -49.0 59.6 83.6 19.3 81 84 A P H > S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.914 111.9 48.7 -52.6 -47.0 58.4 85.8 22.2 82 85 A L H >>S+ 0 0 2 -4,-0.3 5,-2.1 2,-0.2 4,-0.9 0.862 113.4 46.6 -63.0 -37.8 60.0 83.6 24.8 83 86 A I H ><5S+ 0 0 71 -4,-2.3 3,-0.8 2,-0.2 -1,-0.2 0.922 109.9 53.9 -68.8 -43.3 63.3 83.6 22.9 84 87 A E H 3<5S+ 0 0 144 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.819 103.8 58.7 -55.9 -34.2 62.9 87.4 22.6 85 88 A L H 3<5S- 0 0 17 -4,-2.0 -1,-0.2 -5,-0.2 -31,-0.2 0.796 124.2-100.5 -64.7 -33.9 62.5 87.5 26.4 86 89 A G T <<5S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.8 -3,-0.2 0.435 74.6 140.6 118.4 9.5 66.0 85.9 27.0 87 90 A V < + 0 0 3 -5,-2.1 -1,-0.3 1,-0.1 -26,-0.1 -0.712 22.9 177.0 -83.2 131.0 64.9 82.3 27.7 88 91 A T + 0 0 44 -28,-1.8 21,-2.5 -2,-0.4 2,-0.3 0.480 60.4 26.3-110.6 -6.3 67.3 79.8 26.1 89 92 A G E -de 61 109A 0 -29,-1.5 -27,-2.4 19,-0.2 2,-0.4 -0.995 54.0-154.3-160.6 144.8 65.8 76.5 27.3 90 93 A L E -de 62 110A 1 19,-2.1 21,-3.2 -2,-0.3 2,-0.6 -0.995 1.3-165.6-125.9 133.7 62.7 74.8 28.5 91 94 A R E -de 63 111A 11 -29,-2.9 -27,-2.1 -2,-0.4 2,-0.3 -0.946 19.4-170.4-112.2 102.4 62.4 71.7 30.7 92 95 A X E +d 64 0A 17 -2,-0.6 -27,-0.2 19,-0.6 21,-0.1 -0.736 21.0 162.0 -98.0 143.9 58.8 70.5 30.4 93 96 A D + 0 0 83 -29,-0.6 2,-0.4 1,-0.4 -1,-0.2 0.628 62.8 51.8-132.0 -40.8 57.5 67.8 32.6 94 97 A Y S S- 0 0 46 -30,-0.3 -28,-0.9 1,-0.1 -1,-0.4 -0.820 114.5 -8.7-104.8 139.5 53.8 68.1 32.3 95 98 A G S S+ 0 0 72 -2,-0.4 2,-0.4 -30,-0.1 -1,-0.1 0.454 89.4 111.2 67.5 17.1 51.8 68.0 29.1 96 99 A I - 0 0 36 -3,-0.1 2,-0.1 -20,-0.0 -1,-0.1 -0.986 58.8-128.9-122.1 134.1 54.3 68.3 26.2 97 100 A T > - 0 0 70 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.402 19.7-118.6 -76.9 157.1 55.0 65.4 23.8 98 101 A I H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 118.0 56.8 -54.7 -38.4 58.4 64.0 22.9 99 102 A E H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 105.3 47.3 -63.3 -44.9 57.5 65.1 19.3 100 103 A Q H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 112.6 52.4 -60.1 -42.5 56.9 68.7 20.3 101 104 A X H X S+ 0 0 14 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.851 106.7 50.8 -62.8 -41.5 60.2 68.6 22.2 102 105 A A H >X S+ 0 0 0 -4,-2.2 3,-1.0 2,-0.2 29,-0.5 0.959 112.6 46.5 -61.1 -52.8 62.1 67.3 19.2 103 106 A H H >< S+ 0 0 113 -4,-2.1 3,-0.9 1,-0.3 4,-0.3 0.863 112.1 51.6 -54.1 -41.6 60.7 70.1 17.0 104 107 A A H >X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 3,-1.3 0.702 92.8 75.3 -72.4 -17.8 61.5 72.6 19.6 105 108 A S H << S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.736 88.0 59.3 -72.5 -20.3 65.1 71.4 20.0 106 109 A H T << S+ 0 0 102 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.695 117.7 31.9 -75.9 -17.3 66.1 73.1 16.7 107 110 A K T <4 S+ 0 0 99 -3,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.731 129.0 12.4-106.0 -35.1 65.0 76.5 18.2 108 111 A I S < S- 0 0 2 -4,-2.7 -1,-0.3 -18,-0.0 -19,-0.2 -0.956 82.6 -91.5-146.2 154.5 65.7 76.2 21.9 109 112 A D E -e 89 0A 11 -21,-2.5 -19,-2.1 -2,-0.3 2,-0.5 -0.462 40.3-142.6 -68.0 146.6 67.6 74.0 24.3 110 113 A I E -ef 90 135A 1 24,-2.8 26,-3.2 -21,-0.2 2,-0.5 -0.970 4.0-145.3-118.9 121.3 65.4 71.2 25.8 111 114 A G E -ef 91 136A 1 -21,-3.2 -19,-0.6 -2,-0.5 2,-0.3 -0.750 17.7-171.4 -85.8 126.9 65.7 70.1 29.4 112 115 A L E - 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0 0 64 -3,-2.5 -3,-0.2 1,-0.1 2,-0.2 0.935 43.7-173.8 50.9 58.4 65.1 64.3 14.4 130 133 A A < - 0 0 14 -5,-2.1 2,-1.1 -25,-0.1 -1,-0.1 -0.537 34.9-112.8 -72.8 149.3 65.8 66.2 17.6 131 134 A D > - 0 0 49 -29,-0.5 3,-1.8 -2,-0.2 -1,-0.1 -0.801 32.4-168.8 -78.7 98.6 68.9 68.3 17.7 132 135 A F G > S+ 0 0 37 -2,-1.1 3,-1.0 1,-0.3 35,-0.2 0.681 82.4 68.5 -68.9 -18.2 70.7 66.1 20.3 133 136 A S G 3 S+ 0 0 86 1,-0.2 -1,-0.3 33,-0.1 -2,-0.1 0.553 102.5 47.6 -73.5 -12.0 73.3 68.9 20.6 134 137 A R G < S+ 0 0 71 -3,-1.8 -24,-2.8 -26,-0.1 2,-0.5 0.232 87.6 103.2-112.5 15.2 70.5 70.9 22.2 135 138 A L E < -f 110 0A 0 -3,-1.0 32,-1.7 -26,-0.2 2,-0.5 -0.862 49.6-169.0-102.7 125.2 69.2 68.3 24.6 136 139 A E E -fg 111 167A 4 -26,-3.2 -24,-3.6 -2,-0.5 2,-0.8 -0.963 11.9-152.3-119.7 116.5 70.2 68.7 28.3 137 140 A A E -fg 112 168A 0 30,-3.3 32,-2.6 -2,-0.5 2,-0.5 -0.824 20.7-163.4 -89.8 111.7 69.6 65.9 30.7 138 141 A W E -fg 113 169A 0 -26,-3.1 -24,-2.5 -2,-0.8 -23,-0.4 -0.854 9.0-142.0 -99.6 127.5 69.2 67.7 34.1 139 142 A H - 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0 0 3 -5,-2.0 2,-0.3 -32,-0.1 -1,-0.2 -0.397 55.7-117.7 -91.4 159.6 73.1 64.0 25.7 167 170 A Q E -g 136 0A 59 -32,-1.7 -30,-3.3 -35,-0.2 2,-0.5 -0.743 27.1-139.5 -89.0 145.5 74.5 66.8 27.9 168 171 A V E -g 137 0A 0 -2,-0.3 43,-2.6 -32,-0.2 44,-1.6 -0.944 20.1-177.6-114.1 122.0 74.6 66.1 31.7 169 172 A F E +gh 138 212A 1 -32,-2.6 -30,-2.7 -2,-0.5 2,-0.3 -0.946 6.2 175.2-119.7 141.0 73.7 68.9 34.1 170 173 A T E - h 0 213A 0 42,-1.8 44,-2.5 -2,-0.4 2,-0.3 -0.923 20.2-126.0-142.9 160.5 73.8 68.5 37.9 171 174 A F E - h 0 214A 1 -31,-0.4 17,-1.1 -2,-0.3 18,-0.5 -0.761 10.1-165.5-106.9 156.0 73.3 70.6 41.0 172 175 A V E - h 0 215A 0 42,-2.7 44,-3.7 -2,-0.3 45,-0.4 -0.945 34.1-106.1-124.6 158.6 75.3 71.4 44.1 173 176 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 27,-0.1 -0.320 28.6-130.5 -75.5 162.0 73.8 73.0 47.2 174 177 A G - 0 0 6 41,-0.1 46,-0.2 3,-0.1 20,-0.1 -0.720 7.4-156.8-104.4 167.0 74.5 76.6 48.1 175 178 A D S S+ 0 0 43 -2,-0.3 45,-0.3 42,-0.1 3,-0.1 0.188 77.1 64.6-132.6 14.1 75.5 77.8 51.6 176 179 A G S S+ 0 0 36 43,-2.0 2,-0.7 1,-0.3 44,-0.2 0.637 116.5 3.0 -92.2-104.6 74.4 81.5 51.6 177 180 A Q S S- 0 0 118 43,-0.2 42,-1.4 40,-0.0 -1,-0.3 -0.806 80.4-157.1 -82.2 111.4 70.6 81.7 51.4 178 181 A T - 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