==== 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 02-NOV-06 2NRK . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN GRPB; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR M.E.CUFF,R.MULLIGAN,M.BARGASSA,A.JOACHIMIAK,MIDWEST CENTER F . 165 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 80.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 12.1 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 . 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 1 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 I 0 0 170 0, 0.0 2,-0.3 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 143.5 31.9 44.4 8.0 2 5 A V - 0 0 23 43,-0.2 2,-0.3 130,-0.2 43,-0.3 -0.577 360.0-174.8 -76.7 131.5 29.5 46.2 5.6 3 6 A T B -A 44 0A 34 41,-2.5 41,-2.3 -2,-0.3 3,-0.1 -0.807 34.9 -89.9-116.1 163.6 30.0 45.6 1.9 4 7 A E S S- 0 0 114 -2,-0.3 39,-0.1 39,-0.2 38,-0.1 -0.300 72.0 -67.5 -59.9 159.2 28.4 47.1 -1.2 5 8 A Y - 0 0 38 36,-0.2 -1,-0.2 1,-0.1 38,-0.1 -0.215 49.3-151.5 -52.0 138.9 25.4 45.0 -2.3 6 9 A Q > - 0 0 65 36,-0.2 3,-2.6 -3,-0.1 4,-0.3 -0.954 9.2-156.0-115.8 112.7 26.3 41.6 -3.6 7 10 A P T >> S+ 0 0 95 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.797 92.7 71.6 -54.9 -25.6 23.8 40.1 -6.2 8 11 A A H 3> S+ 0 0 29 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.667 76.0 79.1 -63.1 -20.4 25.1 36.7 -5.1 9 12 A W H <> S+ 0 0 0 -3,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.826 89.2 56.3 -57.1 -31.6 23.3 37.1 -1.8 10 13 A V H <> S+ 0 0 55 -3,-1.6 4,-2.5 -4,-0.3 -1,-0.2 0.906 107.5 47.3 -65.4 -42.2 20.1 36.1 -3.7 11 14 A E H X S+ 0 0 132 -4,-0.5 4,-2.6 -3,-0.3 5,-0.2 0.934 112.3 50.2 -59.4 -50.5 21.8 32.8 -4.8 12 15 A Q H X S+ 0 0 73 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.880 111.1 49.3 -57.7 -43.9 23.0 32.2 -1.2 13 16 A F H X S+ 0 0 21 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.955 112.2 46.2 -60.0 -53.4 19.4 32.8 0.0 14 17 A E H X S+ 0 0 128 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.895 111.8 51.4 -62.9 -37.3 17.8 30.5 -2.5 15 18 A E H X S+ 0 0 147 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.933 116.0 39.7 -63.9 -50.0 20.3 27.6 -1.9 16 19 A E H X S+ 0 0 20 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.844 108.1 62.0 -72.9 -32.0 19.9 27.7 1.8 17 20 A A H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.926 105.2 48.6 -58.5 -39.7 16.2 28.2 1.7 18 21 A Q H X S+ 0 0 139 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.922 109.8 51.6 -63.7 -44.3 15.9 24.8 -0.1 19 22 A A H X S+ 0 0 23 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.921 110.8 48.7 -58.6 -45.6 18.1 23.2 2.5 20 23 A L H >X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.6 0.915 109.1 52.1 -61.4 -44.7 15.9 24.6 5.3 21 24 A K H 3X S+ 0 0 106 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.837 102.0 60.2 -61.3 -33.5 12.7 23.4 3.5 22 25 A Q H 3< S+ 0 0 147 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.0 38.8 -62.5 -34.2 14.1 19.8 3.3 23 26 A I H << S+ 0 0 20 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.898 117.9 45.7 -81.6 -43.5 14.4 19.8 7.1 24 27 A L H >< S+ 0 0 6 -4,-2.6 3,-1.4 1,-0.2 4,-0.2 0.739 82.0 172.3 -77.2 -26.9 11.1 21.6 8.0 25 28 A K G >< - 0 0 144 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 -0.177 64.8 -5.0 55.6-137.6 8.9 19.6 5.5 26 29 A E G 3 S+ 0 0 157 1,-0.3 -1,-0.2 28,-0.0 29,-0.1 0.695 125.1 69.2 -64.8 -22.5 5.2 20.2 5.7 27 30 A N G < S+ 0 0 8 -3,-1.4 28,-1.9 27,-0.1 2,-0.7 0.691 81.8 90.3 -68.9 -18.2 5.4 22.5 8.8 28 31 A C E < +B 54 0B 24 -3,-1.8 26,-0.2 -4,-0.2 3,-0.1 -0.708 47.1 173.1 -86.0 115.1 7.1 25.1 6.6 29 32 A L E - 0 0 90 24,-3.0 2,-0.3 -2,-0.7 25,-0.2 0.823 67.1 -13.2 -86.2 -35.7 4.5 27.5 5.1 30 33 A K E -B 53 0B 107 23,-1.4 23,-2.7 2,-0.0 2,-0.5 -0.953 47.7-150.5-165.6 142.1 7.0 29.9 3.5 31 34 A V E -B 52 0B 9 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.995 25.5-173.2-118.8 123.8 10.7 31.0 3.5 32 35 A E E -B 51 0B 42 19,-3.1 19,-3.1 -2,-0.5 2,-0.5 -0.915 26.1-126.0-116.1 143.7 11.3 34.6 2.7 33 36 A H E +B 50 0B 12 -2,-0.4 2,-0.2 17,-0.2 17,-0.2 -0.759 45.8 164.3 -83.9 125.3 14.5 36.5 2.2 34 37 A I E +B 49 0B 1 15,-2.4 15,-0.7 -2,-0.5 3,-0.3 -0.680 23.9 49.8-132.1-177.6 14.5 39.5 4.6 35 38 A G S > S- 0 0 15 76,-0.3 3,-1.6 -2,-0.2 4,-0.1 -0.095 105.4 -44.0 74.2-173.9 16.8 42.0 6.1 36 39 A S G > S+ 0 0 13 1,-0.3 3,-1.8 2,-0.2 6,-0.3 0.816 131.9 61.9 -65.6 -30.1 19.3 44.2 4.2 37 40 A T G 3 S+ 0 0 2 10,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.665 97.1 61.5 -71.4 -9.6 20.6 41.5 1.9 38 41 A S G < S+ 0 0 2 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.387 87.5 83.4 -91.5 0.5 17.0 41.1 0.5 39 42 A V S X S- 0 0 3 -3,-1.8 3,-2.2 -4,-0.1 -1,-0.1 -0.901 86.7-124.2-108.7 104.1 17.0 44.7 -0.8 40 43 A P T 3 S+ 0 0 72 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.222 90.8 9.2 -51.8 134.9 18.7 45.0 -4.2 41 44 A N T 3 S+ 0 0 141 1,-0.2 2,-0.5 -4,-0.1 -36,-0.2 0.454 92.8 132.9 74.2 9.1 21.5 47.6 -4.2 42 45 A L < - 0 0 3 -3,-2.2 -1,-0.2 -6,-0.3 -36,-0.2 -0.765 59.0-124.5 -89.8 127.7 21.5 48.1 -0.4 43 46 A A + 0 0 5 -2,-0.5 2,-0.3 82,-0.2 -39,-0.2 -0.429 48.3 154.9 -63.2 143.2 24.9 48.0 1.3 44 47 A A B -A 3 0A 1 -41,-2.3 -41,-2.5 -2,-0.1 85,-0.0 -0.997 52.3 -84.7-163.8 158.2 24.9 45.4 4.1 45 48 A K - 0 0 47 -2,-0.3 2,-2.4 -43,-0.3 -43,-0.2 -0.567 54.6-114.1 -64.2 136.1 26.8 43.0 6.3 46 49 A P S S+ 0 0 44 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.368 78.2 120.9 -78.6 60.6 27.0 39.8 4.2 47 50 A I - 0 0 24 -2,-2.4 2,-0.5 48,-0.0 -10,-0.4 -0.997 59.7-136.4-123.3 119.6 24.8 37.8 6.5 48 51 A I E - c 0 95B 0 46,-2.6 48,-2.7 -2,-0.5 2,-0.5 -0.694 14.4-150.2 -84.2 125.5 21.7 36.4 4.9 49 52 A D E -Bc 34 96B 32 -15,-0.7 -15,-2.4 -2,-0.5 2,-0.4 -0.844 9.9-163.8 -96.3 131.8 18.5 36.7 6.9 50 53 A F E -Bc 33 97B 0 46,-2.6 48,-3.5 -2,-0.5 2,-0.6 -0.925 10.0-157.8-114.7 131.5 15.7 34.1 6.5 51 54 A L E -Bc 32 98B 0 -19,-3.1 -19,-3.1 -2,-0.4 2,-0.5 -0.968 15.9-172.5-106.1 114.0 12.1 34.5 7.6 52 55 A V E -Bc 31 99B 0 46,-2.7 48,-2.8 -2,-0.6 2,-0.5 -0.964 5.8-161.9-112.3 123.8 10.6 31.0 8.1 53 56 A I E -Bc 30 100B 23 -23,-2.7 -24,-3.0 -2,-0.5 -23,-1.4 -0.917 15.2-177.8-110.6 124.7 6.9 30.9 8.7 54 57 A V E -Bc 28 101B 0 46,-2.4 48,-2.5 -2,-0.5 -26,-0.2 -0.813 36.3-130.1-122.8 160.7 5.6 27.6 10.2 55 58 A E S S+ 0 0 101 -28,-1.9 2,-0.4 -2,-0.3 48,-0.1 0.893 101.1 21.6 -71.4 -41.4 2.2 26.0 11.2 56 59 A E - 0 0 99 -29,-0.2 4,-0.4 1,-0.1 3,-0.3 -0.949 60.8-167.0-137.8 111.4 3.5 25.0 14.7 57 60 A I S >> S+ 0 0 14 -2,-0.4 3,-1.8 1,-0.2 4,-0.6 0.889 88.0 58.8 -67.2 -38.0 6.5 26.5 16.4 58 61 A E G >4 S+ 0 0 151 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.828 97.0 63.2 -64.9 -30.6 6.9 23.9 19.1 59 62 A K G >4 S+ 0 0 89 -3,-0.3 3,-0.9 1,-0.2 -1,-0.3 0.708 89.1 69.4 -61.0 -22.5 7.3 21.2 16.4 60 63 A V G X4 S+ 0 0 0 -3,-1.8 3,-2.0 -4,-0.4 -1,-0.2 0.834 85.8 68.4 -70.1 -29.9 10.5 23.0 15.3 61 64 A D G X< S+ 0 0 52 -3,-1.0 3,-1.4 -4,-0.6 4,-0.2 0.806 88.7 64.3 -56.9 -29.2 12.2 21.9 18.5 62 65 A L G < S+ 0 0 130 -3,-0.9 -1,-0.3 -4,-0.4 3,-0.2 0.686 102.2 51.0 -65.0 -17.7 12.1 18.3 17.3 63 66 A L G X> S+ 0 0 39 -3,-2.0 4,-2.4 -4,-0.2 3,-0.6 0.288 73.0 111.2-105.6 4.4 14.5 19.4 14.5 64 67 A Q H <> S+ 0 0 50 -3,-1.4 4,-2.2 1,-0.3 -1,-0.2 0.895 81.9 45.4 -47.2 -48.1 17.1 21.1 16.6 65 68 A W H 3> S+ 0 0 157 -4,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.776 107.9 56.9 -76.5 -24.2 19.8 18.4 15.9 66 69 A E H <> S+ 0 0 92 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.901 109.5 46.8 -66.4 -43.0 19.0 18.4 12.1 67 70 A F H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.5 0.915 110.4 51.9 -65.3 -39.9 19.7 22.1 12.0 68 71 A E H ><5S+ 0 0 85 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 0.878 102.2 61.7 -59.2 -38.1 22.9 21.5 14.0 69 72 A R H 3<5S+ 0 0 181 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 105.0 46.8 -60.3 -34.5 23.9 18.9 11.5 70 73 A I T 3<5S- 0 0 39 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.155 133.5 -88.6 -95.6 16.5 23.9 21.6 8.7 71 74 A G T < 5S+ 0 0 32 -3,-1.9 18,-0.3 1,-0.3 -3,-0.2 0.451 79.3 137.2 105.4 -0.8 25.9 23.9 10.9 72 75 A Y < - 0 0 8 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.3 -0.549 49.2-138.3 -80.8 143.5 23.4 26.0 12.9 73 76 A E E -D 87 0B 91 14,-3.1 14,-1.8 -2,-0.2 2,-0.9 -0.906 26.0-137.8 -85.6 126.7 23.5 26.9 16.5 74 77 A Y E +D 86 0B 27 -2,-0.6 12,-0.2 12,-0.2 -10,-0.0 -0.792 27.2 177.3 -92.4 103.1 19.9 26.4 17.7 75 78 A X > - 0 0 48 10,-2.7 3,-0.8 -2,-0.9 11,-0.2 0.490 20.5-148.6 -94.8 -1.9 19.2 29.5 19.8 76 79 A G T 3 - 0 0 19 9,-0.5 9,-2.7 1,-0.2 -1,-0.3 -0.408 69.1 -25.4 66.7-146.9 15.6 29.0 20.8 77 80 A E T > S- 0 0 83 7,-0.2 3,-1.5 -2,-0.1 -1,-0.2 0.850 74.0-161.1 -67.5 -32.7 13.6 32.2 21.3 78 81 A F T < S- 0 0 110 -3,-0.8 -2,-0.1 1,-0.3 3,-0.1 0.917 76.6 -38.5 47.0 44.9 16.9 34.1 22.1 79 82 A G T 3 S+ 0 0 75 1,-0.1 2,-0.5 4,-0.1 -1,-0.3 0.340 120.7 99.4 96.1 -6.5 14.9 36.8 23.8 80 83 A L S X S- 0 0 61 -3,-1.5 3,-2.0 3,-0.1 -1,-0.1 -0.955 74.1-120.1-119.3 121.0 11.8 37.0 21.4 81 84 A S T 3 S+ 0 0 103 -2,-0.5 3,-0.1 1,-0.3 0, 0.0 -0.244 94.7 8.1 -57.8 128.6 8.6 35.3 22.4 82 85 A G T 3 S+ 0 0 19 1,-0.3 19,-0.5 18,-0.1 -1,-0.3 0.352 101.1 120.5 83.5 -5.6 7.5 32.7 19.8 83 86 A R E < - E 0 100B 22 -3,-2.0 2,-0.4 17,-0.1 -1,-0.3 -0.557 47.9-159.0 -87.6 150.6 10.7 32.8 17.7 84 87 A R E - E 0 99B 24 15,-2.0 15,-2.6 -2,-0.2 2,-0.4 -0.978 21.6-163.9-116.7 125.6 13.1 30.0 17.0 85 88 A Y E - E 0 98B 18 -9,-2.7 -10,-2.7 -2,-0.4 -9,-0.5 -0.868 9.2-173.8-113.9 134.9 16.4 31.6 16.0 86 89 A L E -DE 74 97B 0 11,-2.3 11,-2.9 -2,-0.4 2,-0.4 -0.976 3.1-176.6-124.0 142.5 19.3 29.9 14.2 87 90 A R E -DE 73 96B 46 -14,-1.8 -14,-3.1 -2,-0.4 2,-0.3 -0.996 14.8-126.2-137.4 145.3 22.7 31.3 13.4 88 91 A K E + E 0 95B 31 7,-2.0 6,-3.2 -2,-0.4 7,-2.4 -0.978 46.7 21.1-152.0 163.2 25.7 30.0 11.6 89 92 A G - 0 0 18 4,-0.4 -1,-0.1 -18,-0.3 -17,-0.1 0.569 37.9-145.8-114.5-170.8 28.4 29.3 11.1 90 93 A P S S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -18,-0.0 0.860 103.6 42.8 -71.4 -33.2 31.0 28.5 13.8 91 94 A I S S- 0 0 169 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.973 131.7 -4.8 -77.6 -58.1 33.9 30.0 11.7 92 95 A K S S- 0 0 154 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.992 78.0-102.0-138.2 151.9 32.2 33.2 10.4 93 96 A R + 0 0 99 -2,-0.3 -4,-0.4 1,-0.2 3,-0.1 -0.566 56.1 142.2 -73.3 123.5 28.6 34.5 10.7 94 97 A T + 0 0 37 -6,-3.2 -46,-2.6 -2,-0.4 2,-0.4 0.569 56.5 36.5-132.7 -29.8 26.8 33.9 7.4 95 98 A H E -cE 48 88B 29 -7,-2.4 -7,-2.0 -48,-0.2 2,-0.4 -0.998 48.8-173.4-140.2 130.7 23.1 33.0 8.0 96 99 A H E -cE 49 87B 26 -48,-2.7 -46,-2.6 -2,-0.4 2,-0.5 -0.999 13.2-163.2-122.5 124.7 20.5 34.2 10.5 97 100 A V E -cE 50 86B 0 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.6 -0.964 4.7-166.6-116.0 125.7 17.2 32.3 10.5 98 101 A H E -cE 51 85B 19 -48,-3.5 -46,-2.7 -2,-0.5 2,-0.5 -0.941 10.4-170.3-116.5 106.4 14.2 33.8 12.1 99 102 A I E +cE 52 84B 1 -15,-2.6 -15,-2.0 -2,-0.6 2,-0.3 -0.873 9.9 170.0-104.8 129.7 11.4 31.2 12.5 100 103 A Y E -cE 53 83B 0 -48,-2.8 -46,-2.4 -2,-0.5 2,-0.2 -0.970 36.1-107.1-134.5 153.8 7.9 32.2 13.6 101 104 A Q E > -c 54 0B 49 -19,-0.5 3,-2.4 -2,-0.3 -46,-0.2 -0.495 40.4-108.5 -72.4 149.1 4.5 30.6 13.9 102 105 A F T 3 S+ 0 0 110 -48,-2.5 -1,-0.1 1,-0.3 -47,-0.1 0.654 115.8 58.3 -52.5 -23.9 1.9 31.8 11.3 103 106 A D T 3 S+ 0 0 91 1,-0.2 2,-1.8 -48,-0.1 -1,-0.3 0.448 75.3 94.9 -94.4 4.5 -0.1 33.8 13.9 104 107 A N <> + 0 0 38 -3,-2.4 4,-2.3 1,-0.2 3,-0.3 -0.489 47.9 159.4 -87.0 66.9 2.8 36.0 15.0 105 108 A T H > + 0 0 83 -2,-1.8 4,-2.6 1,-0.2 5,-0.3 0.824 62.4 61.1 -63.4 -33.2 1.6 38.7 12.6 106 109 A Q H > S+ 0 0 148 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.937 112.2 36.0 -61.2 -46.8 3.5 41.5 14.4 107 110 A E H > S+ 0 0 36 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.903 117.0 52.4 -74.7 -41.2 6.9 40.0 13.9 108 111 A I H X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.961 115.3 40.6 -61.2 -49.9 6.2 38.6 10.4 109 112 A L H X S+ 0 0 29 -4,-2.6 4,-3.0 2,-0.2 5,-0.5 0.843 106.3 64.7 -66.5 -30.9 5.0 41.9 9.1 110 113 A R H X S+ 0 0 73 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.956 112.2 36.3 -55.0 -48.2 7.7 43.9 10.9 111 114 A H H X S+ 0 0 23 -4,-1.9 4,-2.2 2,-0.2 -76,-0.3 0.933 121.1 43.8 -71.0 -48.5 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