==== 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 03-AUG-09 3IJ3 . COMPND 2 MOLECULE: CYTOSOL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.PAPA . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 7.9 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 29 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 1 0 2 0 0 2 0 1 2 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 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 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 2 A A > 0 0 71 0, 0.0 3,-1.5 0, 0.0 142,-0.0 0.000 360.0 360.0 360.0 22.4 66.6 56.1 16.6 2 3 A D T 3 + 0 0 127 1,-0.3 0, 0.0 125,-0.0 0, 0.0 0.414 360.0 76.4 -78.5 4.5 70.4 55.6 16.8 3 4 A C T 3 S+ 0 0 9 124,-0.1 125,-2.4 2,-0.0 2,-0.3 0.519 93.0 69.8 -83.0 -7.7 70.2 55.3 20.6 4 5 A Y E < -a 128 0A 14 -3,-1.5 2,-0.4 123,-0.2 125,-0.2 -0.813 69.6-146.3-114.1 154.9 68.9 51.7 19.9 5 6 A L E -a 129 0A 42 123,-2.3 125,-2.9 -2,-0.3 -2,-0.0 -0.920 10.2-175.5-113.5 140.0 70.3 48.5 18.6 6 7 A T + 0 0 80 -2,-0.4 2,-0.7 123,-0.2 126,-0.1 0.563 57.8 86.3-116.4 -8.7 68.2 46.2 16.5 7 8 A E S S- 0 0 142 124,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.833 78.3-129.1 -94.8 116.8 70.3 43.1 15.9 8 9 A K + 0 0 152 -2,-0.7 2,-0.3 122,-0.1 -2,-0.1 -0.396 34.2 174.6 -67.7 135.3 70.0 40.6 18.8 9 10 A K > - 0 0 99 -2,-0.1 3,-0.6 1,-0.0 120,-0.0 -0.965 38.9-132.6-140.8 155.8 73.2 39.4 20.3 10 11 A K T 3 S+ 0 0 205 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.402 97.8 63.3 -88.3 2.2 74.4 37.2 23.2 11 12 A N T 3 + 0 0 129 2,-0.1 -1,-0.2 77,-0.0 76,-0.2 0.091 66.0 128.1-116.1 23.1 77.0 39.7 24.4 12 13 A F < - 0 0 16 -3,-0.6 76,-0.2 1,-0.1 116,-0.0 -0.478 64.5-110.3 -74.6 155.0 75.1 42.8 25.4 13 14 A I E -b 88 0A 29 74,-2.8 76,-2.1 -2,-0.1 49,-0.2 -0.732 35.1-126.9 -85.8 119.1 75.7 44.3 28.9 14 15 A P E -b 89 0A 24 0, 0.0 49,-2.5 0, 0.0 2,-0.5 -0.453 15.4-158.1 -71.3 141.4 72.7 43.8 31.2 15 16 A I E -d 63 0B 2 74,-2.2 76,-0.5 47,-0.2 49,-0.2 -0.987 16.6-170.7-112.8 124.7 71.1 46.8 33.0 16 17 A Q E -d 64 0B 23 47,-2.8 49,-2.5 -2,-0.5 2,-0.1 -0.969 18.6-130.6-124.9 125.4 69.1 45.6 36.0 17 18 A P E -d 65 0B 7 0, 0.0 2,-0.3 0, 0.0 49,-0.2 -0.408 30.9-176.5 -71.2 150.5 66.7 47.7 38.1 18 19 A M E -d 66 0B 4 47,-2.5 49,-2.0 27,-0.1 26,-0.1 -0.998 18.5-159.7-151.0 140.2 67.2 47.5 41.9 19 20 A M >> - 0 0 40 -2,-0.3 3,-1.2 47,-0.2 4,-1.0 -0.873 36.7-109.7-115.5 154.3 65.6 48.7 45.0 20 21 A P G >4 S+ 0 0 56 0, 0.0 3,-0.7 0, 0.0 26,-0.1 0.850 114.0 56.5 -49.6 -43.7 67.3 48.9 48.4 21 22 A D G 34 S+ 0 0 138 1,-0.2 4,-0.4 2,-0.1 24,-0.1 0.760 109.7 44.8 -64.4 -27.4 65.2 46.1 50.0 22 23 A E G <> S+ 0 0 83 -3,-1.2 4,-2.0 1,-0.1 -1,-0.2 0.608 92.4 82.9 -91.7 -12.9 66.2 43.6 47.3 23 24 A L H S+ 0 0 76 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.928 113.9 42.6 -58.2 -48.1 71.0 42.2 50.1 25 26 A D H 4 S+ 0 0 117 -4,-0.4 4,-0.4 1,-0.2 -2,-0.2 0.848 114.0 52.2 -64.9 -38.3 69.3 39.0 48.8 26 27 A W H >< S+ 0 0 31 -4,-2.0 3,-2.1 1,-0.2 4,-0.3 0.942 105.6 54.6 -63.5 -46.4 70.5 39.7 45.3 27 28 A L H >< S+ 0 0 30 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.854 97.9 64.5 -55.5 -36.3 74.1 40.1 46.4 28 29 A D T 3< S+ 0 0 114 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.700 99.0 54.3 -60.8 -20.4 73.9 36.6 48.0 29 30 A T T < S+ 0 0 99 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.472 98.8 83.1 -90.6 -4.6 73.5 35.2 44.5 30 31 A Q S < S- 0 0 39 -3,-1.9 -3,-0.0 -4,-0.3 0, 0.0 -0.543 84.2 -96.1-100.8 165.1 76.6 36.8 43.2 31 32 A D > - 0 0 83 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.161 41.9 -97.5 -73.3 170.7 80.3 35.9 43.3 32 33 A A H > S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 121.3 49.8 -54.5 -52.1 82.8 37.2 45.9 33 34 A R H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 111.6 49.5 -57.5 -41.7 84.3 39.9 43.7 34 35 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.924 110.7 49.5 -66.1 -45.0 80.8 41.3 42.8 35 36 A Q H X S+ 0 0 73 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.930 113.1 47.4 -59.8 -44.8 79.7 41.3 46.5 36 37 A Q H X S+ 0 0 134 -4,-2.7 4,-3.3 -5,-0.2 -2,-0.2 0.911 113.0 48.9 -62.7 -42.9 82.9 43.2 47.5 37 38 A W H X S+ 0 0 112 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 109.2 49.3 -66.2 -47.2 82.6 45.7 44.7 38 39 A V H X>S+ 0 0 2 -4,-2.6 5,-0.8 2,-0.2 4,-0.7 0.912 116.8 43.9 -60.1 -41.3 78.9 46.6 45.3 39 40 A K H ><5S+ 0 0 172 -4,-1.8 3,-0.9 -5,-0.3 -2,-0.2 0.948 114.5 49.2 -66.9 -46.4 79.7 47.1 49.0 40 41 A A H 3<5S+ 0 0 83 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.788 106.5 57.8 -63.6 -28.9 83.0 49.1 48.2 41 42 A S H 3<5S- 0 0 52 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.710 103.2-127.6 -76.0 -22.9 81.1 51.3 45.7 42 43 A G T <<5 + 0 0 55 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.1 0.511 53.4 153.5 85.7 5.2 78.6 52.6 48.2 43 44 A F < + 0 0 15 -5,-0.8 -1,-0.3 1,-0.1 -2,-0.1 -0.547 11.1 162.8 -70.6 128.7 75.6 51.7 46.0 44 45 A V - 0 0 78 -2,-0.3 -21,-0.2 -3,-0.1 -1,-0.1 0.256 64.4 -89.3-129.5 7.3 72.5 51.1 48.0 45 46 A G + 0 0 1 1,-0.2 22,-0.3 -26,-0.1 3,-0.1 0.625 62.3 167.7 94.6 13.2 69.8 51.3 45.4 46 47 A L > - 0 0 107 20,-0.1 3,-2.1 1,-0.1 20,-0.4 -0.391 49.9 -91.6 -62.3 136.9 69.0 55.1 45.6 47 48 A A T 3 S+ 0 0 49 1,-0.3 20,-0.3 20,-0.2 -1,-0.1 -0.213 109.0 12.5 -52.7 129.0 66.8 56.1 42.6 48 49 A G T 3 S+ 0 0 35 18,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.307 99.8 113.3 87.1 -10.0 68.8 57.3 39.6 49 50 A T < - 0 0 54 -3,-2.1 17,-2.9 2,-0.0 -1,-0.3 -0.602 49.7-156.2 -91.1 157.3 72.2 56.0 40.9 50 51 A I E -E 65 0B 43 15,-0.2 2,-0.4 -2,-0.2 15,-0.2 -0.890 15.2-150.8-130.7 161.1 74.0 53.2 39.2 51 52 A C E -E 64 0B 5 13,-1.9 13,-2.6 -2,-0.3 2,-0.6 -0.945 12.1-156.7-131.4 108.8 76.6 50.6 40.0 52 53 A S E -E 63 0B 35 -2,-0.4 11,-0.2 11,-0.2 -2,-0.0 -0.820 16.5-155.4 -85.2 117.5 78.8 49.5 37.1 53 54 A I E -E 62 0B 0 9,-3.0 8,-3.2 -2,-0.6 9,-1.2 -0.849 6.9-134.3-101.8 125.7 80.1 46.0 38.0 54 55 A P E -E 60 0B 35 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.410 5.6-133.4 -80.6 152.4 83.4 44.7 36.5 55 56 A E > - 0 0 84 4,-3.2 3,-1.4 -2,-0.1 6,-0.1 -0.425 43.5 -96.9 -80.9 172.7 84.1 41.3 35.0 56 57 A S T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 5,-0.0 0.719 128.6 58.9 -66.1 -20.2 87.4 39.7 36.2 57 58 A T T 3 S- 0 0 113 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.631 119.6-111.1 -79.3 -18.2 88.9 41.1 33.0 58 59 A G S < S+ 0 0 60 -3,-1.4 -2,-0.1 1,-0.4 2,-0.1 0.341 80.5 124.0 99.0 -7.6 87.9 44.7 33.9 59 60 A A S S- 0 0 56 1,-0.1 -4,-3.2 -5,-0.1 2,-0.4 -0.380 77.0 -83.9 -76.3 168.7 85.3 44.9 31.2 60 61 A L E + E 0 54B 41 -6,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.637 43.5 177.5 -82.1 125.9 81.8 45.8 32.2 61 62 A Q E - 0 0 33 -8,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.843 62.7 -23.9 -91.1 -42.3 79.7 42.8 33.5 62 63 A R E - E 0 53B 61 -9,-1.2 -9,-3.0 -49,-0.2 2,-0.5 -0.980 49.6-132.7-168.7 155.4 76.4 44.6 34.5 63 64 A V E -dE 15 52B 0 -49,-2.5 -47,-2.8 -2,-0.3 2,-0.4 -0.988 15.2-153.7-123.8 124.2 74.9 47.8 35.5 64 65 A L E -dE 16 51B 0 -13,-2.6 -13,-1.9 -2,-0.5 2,-0.5 -0.811 10.0-159.9 -91.4 136.8 72.5 48.1 38.5 65 66 A L E -dE 17 50B 2 -49,-2.5 -47,-2.5 -2,-0.4 2,-0.3 -0.975 14.2-134.8-117.8 119.7 70.1 51.0 38.3 66 67 A G E -d 18 0B 0 -17,-2.9 -18,-2.6 -2,-0.5 2,-0.3 -0.560 28.0-163.1 -70.1 132.1 68.4 52.2 41.5 67 68 A V - 0 0 5 -49,-2.0 -20,-0.2 -22,-0.3 3,-0.1 -0.910 29.9-135.1-121.6 148.7 64.7 52.7 40.9 68 69 A S S S- 0 0 65 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.808 95.1 -19.8 -64.2 -33.5 62.0 54.7 42.9 69 70 A D S > S- 0 0 76 -51,-0.0 3,-1.1 -3,-0.0 4,-0.5 -0.933 70.2-104.6-165.9 158.9 59.7 51.6 42.3 70 71 A Y T 3 S+ 0 0 59 -2,-0.3 26,-0.3 1,-0.2 -2,-0.0 0.619 121.1 44.0 -70.4 -9.7 59.7 48.7 39.8 71 72 A E T 3 S+ 0 0 51 24,-0.1 -1,-0.2 1,-0.1 24,-0.0 0.303 87.9 89.1-113.9 7.8 56.8 50.3 37.9 72 73 A Y < - 0 0 79 -3,-1.1 2,-1.7 1,-0.1 -2,-0.1 0.888 57.0-177.6 -75.2 -41.0 58.0 54.0 37.8 73 74 A S > + 0 0 13 -4,-0.5 3,-1.6 1,-0.2 4,-0.4 -0.170 57.4 89.6 75.4 -46.1 60.0 53.8 34.5 74 75 A W G >> S+ 0 0 62 -2,-1.7 3,-1.1 1,-0.3 4,-0.5 0.699 72.0 74.2 -59.4 -19.9 61.4 57.4 34.3 75 76 A D G >4 S+ 0 0 12 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.881 91.1 59.0 -60.1 -32.4 64.6 56.3 36.3 76 77 A F G X4 S+ 0 0 6 -3,-1.6 3,-1.5 1,-0.3 4,-0.3 0.767 90.3 72.0 -64.1 -25.2 65.6 54.6 33.0 77 78 A G G <4 S+ 0 0 2 -3,-1.1 358,-1.0 -4,-0.4 3,-0.3 0.775 91.3 57.5 -61.7 -26.1 65.4 58.0 31.3 78 79 A G G XX S+ 0 0 20 -3,-1.3 3,-0.7 -4,-0.5 4,-0.5 0.550 80.6 93.8 -82.7 -2.8 68.6 59.1 33.1 79 80 A L H X> S+ 0 0 0 -3,-1.5 4,-3.0 1,-0.2 3,-1.5 0.864 74.1 58.4 -61.7 -44.2 70.8 56.3 31.8 80 81 A S H 34 S+ 0 0 6 -3,-0.3 45,-0.3 -4,-0.3 -1,-0.2 0.846 105.7 52.7 -56.6 -33.1 72.3 57.9 28.7 81 82 A K H <4 S+ 0 0 106 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.654 122.7 26.1 -77.4 -14.5 73.8 60.6 30.9 82 83 A V H << S+ 0 0 74 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.608 92.9 106.8-122.4 -19.6 75.5 58.2 33.4 83 84 A L < - 0 0 18 -4,-3.0 42,-0.2 -5,-0.2 43,-0.1 -0.327 66.5-123.4 -68.4 141.1 76.2 55.0 31.5 84 85 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.288 51.0 -72.6 -68.1 169.5 79.6 54.0 30.4 85 86 A P S S+ 0 0 86 0, 0.0 41,-0.3 0, 0.0 2,-0.3 -0.294 84.3 79.9 -61.9 147.8 80.1 53.3 26.7 86 87 A G E S- c 0 126A 29 39,-2.2 41,-2.5 -3,-0.1 2,-0.6 -0.864 77.2 -65.8 149.1 179.3 78.6 50.1 25.3 87 88 A A E - c 0 127A 36 -2,-0.3 -74,-2.8 39,-0.2 2,-0.2 -0.950 54.9-176.8-107.1 115.8 75.8 48.0 23.9 88 89 A F E -bc 13 128A 0 39,-3.1 41,-2.6 -2,-0.6 2,-0.3 -0.648 13.5-162.8-115.0 168.0 73.2 47.3 26.7 89 90 A Q E -b 14 0A 61 -76,-2.1 -74,-2.2 -2,-0.2 2,-0.2 -0.993 12.5-138.7-149.0 151.4 70.1 45.3 27.2 90 91 A L - 0 0 11 39,-0.3 2,-0.5 -2,-0.3 -74,-0.1 -0.648 23.5-125.7 -99.6 163.7 67.2 45.2 29.6 91 92 A N > - 0 0 73 -76,-0.5 3,-2.2 -2,-0.2 4,-0.2 -0.970 3.5-148.7-117.0 120.9 65.6 41.9 30.8 92 93 A R G > S+ 0 0 74 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.836 97.1 65.5 -52.4 -36.5 61.9 41.4 30.4 93 94 A D G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.638 88.5 67.6 -64.4 -15.8 61.9 39.3 33.6 94 95 A D G < S+ 0 0 42 -3,-2.2 2,-0.3 2,-0.0 -1,-0.3 0.489 94.1 72.2 -81.8 -4.1 62.8 42.4 35.6 95 96 A F S < S- 0 0 14 -3,-1.8 -24,-0.1 -4,-0.2 3,-0.1 -0.858 76.9-134.5-116.7 149.1 59.4 43.9 34.9 96 97 A E S S+ 0 0 132 -2,-0.3 2,-0.3 -26,-0.3 -1,-0.1 0.835 90.5 1.1 -65.0 -34.0 55.9 43.1 36.2 97 98 A D S >> S- 0 0 86 1,-0.0 4,-1.5 -5,-0.0 3,-0.7 -0.964 75.8-104.1-152.7 158.5 54.4 43.4 32.7 98 99 A D H 3> S+ 0 0 72 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.756 116.3 66.4 -58.6 -23.5 55.5 44.1 29.0 99 100 A E H 3> S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 102.8 42.6 -66.3 -43.4 54.0 47.5 29.4 100 101 A Y H <> S+ 0 0 55 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.842 112.9 54.3 -71.9 -32.8 56.6 48.6 32.0 101 102 A Y H X S+ 0 0 21 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.930 110.0 47.0 -63.0 -46.0 59.3 47.0 30.0 102 103 A E H X S+ 0 0 32 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.889 110.1 52.5 -65.5 -40.1 58.2 49.0 26.9 103 104 A R H X S+ 0 0 31 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.875 109.2 50.1 -62.3 -39.0 58.1 52.3 29.0 104 105 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.916 109.9 50.4 -65.0 -44.6 61.6 51.6 30.2 105 106 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.925 114.4 44.5 -58.2 -45.7 62.8 51.1 26.7 106 107 A L H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.943 109.0 55.9 -65.1 -45.3 61.2 54.3 25.6 107 108 A A H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.879 103.7 55.8 -56.2 -41.5 62.5 56.3 28.6 108 109 A F H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -28,-0.3 0.939 110.3 44.7 -54.6 -49.0 66.0 55.3 27.7 109 110 A G H >< S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.2 4,-0.3 0.910 110.1 54.4 -62.3 -43.5 65.5 56.8 24.2 110 111 A L H >< S+ 0 0 9 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.851 107.1 51.5 -60.9 -35.5 63.8 60.0 25.6 111 112 A G T 3< S+ 0 0 5 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.538 100.2 64.1 -78.4 -8.1 66.8 60.6 27.8 112 113 A S T < S+ 0 0 15 -3,-1.4 12,-0.3 -4,-0.4 -1,-0.2 0.423 77.4 123.7 -90.7 -3.2 69.2 60.3 24.8 113 114 A Y < + 0 0 11 -3,-0.9 2,-0.4 -4,-0.3 322,-0.1 -0.394 32.6 173.4 -66.3 132.7 67.7 63.4 23.1 114 115 A Q - 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