==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-10 3MKM . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN YEIK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.GARAU,A.FORNILI,B.GIABBAI,M.DEGANO . 1217 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 825 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 96 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 9 1 0 0 8 4 8 3 1 4 2 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 11 4 4 0 4 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 . 0 4 4 0 0 4 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 . 8 0 0 0 0 0 4 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 M 0 0 131 0, 0.0 27,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.4 -0.1 31.4 36.6 2 2 A E - 0 0 177 2,-0.0 2,-0.2 27,-0.0 26,-0.0 0.802 360.0-105.8 65.0 116.3 1.3 32.9 33.3 3 3 A K - 0 0 113 26,-0.1 2,-0.6 1,-0.1 26,-0.2 -0.438 23.1-133.0 -68.6 135.3 -1.2 32.8 30.3 4 4 A R E -a 29 0A 40 24,-2.5 26,-3.1 -2,-0.2 2,-0.3 -0.815 19.5-138.4 -86.7 120.2 -0.6 30.4 27.5 5 5 A K E +ab 30 119A 68 113,-0.6 115,-2.2 -2,-0.6 2,-0.3 -0.640 31.1 179.8 -73.8 133.3 -1.0 32.1 24.1 6 6 A I E -ab 31 120A 0 24,-2.3 26,-2.4 -2,-0.3 27,-0.8 -0.962 33.9-150.8-137.1 152.0 -2.9 30.0 21.6 7 7 A I E -ab 33 121A 1 113,-1.7 115,-2.7 -2,-0.3 2,-0.6 -1.000 26.3-149.1-112.8 120.0 -4.2 29.9 18.0 8 8 A L E -ab 34 122A 0 25,-1.9 27,-2.4 -2,-0.5 2,-0.5 -0.860 12.1-169.7 -94.7 113.2 -7.3 27.7 17.9 9 9 A D E +ab 35 123A 2 113,-1.9 115,-3.0 -2,-0.6 2,-0.3 -0.923 25.0 149.3-106.5 124.9 -7.8 25.9 14.6 10 10 A C E -a 36 0A 0 25,-2.3 27,-1.9 -2,-0.5 115,-0.2 -0.933 50.1-137.5-158.1 166.2 -11.2 24.3 14.3 11 11 A D - 0 0 0 113,-0.4 29,-0.4 -2,-0.3 5,-0.1 -0.571 51.7-113.7-132.5 63.6 -14.1 23.2 12.1 12 12 A P + 0 0 0 0, 0.0 37,-0.2 0, 0.0 38,-0.2 -0.165 58.3 143.4 -59.8 127.6 -17.1 24.2 14.1 13 13 A G > - 0 0 0 36,-0.1 4,-2.0 27,-0.1 74,-0.1 -0.148 65.9 -77.5 102.7 116.2 -18.6 21.8 14.9 14 14 A H H > S+ 0 0 1 2,-0.2 4,-1.0 1,-0.2 3,-0.1 0.937 128.7 34.6 -66.5 -57.0 -20.4 21.3 18.2 15 15 A D H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.816 111.7 65.3 -66.3 -28.9 -17.6 20.6 20.6 16 16 A D H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.948 100.9 50.7 -52.7 -47.3 -15.5 23.1 18.6 17 17 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.839 108.6 49.9 -60.6 -38.9 -17.9 25.7 19.8 18 18 A I H X S+ 0 0 3 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.897 110.4 52.1 -65.6 -39.8 -17.5 24.5 23.5 19 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.901 109.1 48.7 -59.6 -46.7 -13.7 24.8 22.9 20 20 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.926 109.9 53.3 -59.3 -45.6 -14.0 28.4 21.6 21 21 A M H X S+ 0 0 3 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.904 113.9 40.3 -58.8 -47.0 -16.2 29.3 24.6 22 22 A M H >X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 3,-1.0 0.938 116.1 50.2 -66.3 -48.8 -13.6 28.0 27.1 23 23 A A H 3< S+ 0 0 0 -4,-2.6 8,-0.4 1,-0.2 -2,-0.2 0.872 108.7 51.9 -57.2 -42.9 -10.6 29.3 25.3 24 24 A A H 3< S+ 0 0 33 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.631 119.3 33.1 -75.4 -12.3 -12.0 32.8 24.9 25 25 A K H << S+ 0 0 86 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.732 84.8 99.0-117.3 -33.3 -12.8 33.3 28.6 26 26 A H >< - 0 0 20 -4,-2.1 3,-2.0 1,-0.1 279,-0.0 -0.448 64.0-138.6 -73.8 132.9 -10.4 31.5 30.9 27 27 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 0.675 100.5 63.3 -64.8 -16.3 -7.7 33.8 32.4 28 28 A A T 3 S+ 0 0 29 -25,-0.1 -24,-2.5 -27,-0.0 2,-0.4 0.485 98.2 68.3 -81.2 -6.2 -5.0 31.1 31.9 29 29 A I E < -a 4 0A 10 -3,-2.0 2,-0.6 -26,-0.2 -24,-0.2 -0.943 61.1-161.1-119.8 136.8 -5.5 31.3 28.1 30 30 A D E -a 5 0A 63 -26,-3.1 -24,-2.3 -2,-0.4 2,-0.9 -0.866 15.9-158.3-114.7 94.7 -4.6 34.1 25.7 31 31 A L E +a 6 0A 16 -2,-0.6 -24,-0.2 -8,-0.4 3,-0.1 -0.620 15.7 175.9 -77.9 103.5 -6.6 33.4 22.6 32 32 A L E - 0 0 49 -26,-2.4 2,-0.3 -2,-0.9 -25,-0.2 0.882 59.7 -23.6 -75.9 -43.8 -4.8 35.3 19.8 33 33 A G E -a 7 0A 0 -27,-0.8 -25,-1.9 28,-0.1 2,-0.4 -0.986 51.5-126.0-165.5 158.5 -6.9 34.2 16.8 34 34 A I E -ac 8 63A 1 28,-2.4 30,-2.5 -2,-0.3 2,-0.4 -0.980 21.4-165.1-117.5 131.0 -9.3 31.5 15.5 35 35 A T E -ac 9 64A 0 -27,-2.4 -25,-2.3 -2,-0.4 2,-0.4 -0.908 10.1-145.5-115.6 142.8 -8.5 29.8 12.2 36 36 A I E -ac 10 65A 0 28,-2.6 30,-1.8 -2,-0.4 2,-0.3 -0.876 15.8-178.7-115.3 140.0 -11.2 27.7 10.4 37 37 A V - 0 0 0 -27,-1.9 2,-0.2 -2,-0.4 90,-0.0 -0.923 34.9 -99.5-129.5 154.0 -10.7 24.6 8.3 38 38 A A S S+ 0 0 6 29,-2.3 4,-0.2 -2,-0.3 90,-0.2 -0.500 73.5 102.5 -64.7 143.9 -13.1 22.4 6.3 39 39 A G S S+ 0 0 2 2,-2.7 39,-0.5 -2,-0.2 -1,-0.1 -0.396 73.2 37.8-177.9 -95.1 -14.1 19.2 8.2 40 40 A N S S- 0 0 6 -29,-0.4 38,-1.4 37,-0.2 2,-0.3 0.893 137.5 -7.0 -47.1 -42.5 -17.4 18.6 9.9 41 41 A Q S S- 0 0 13 36,-0.2 -2,-2.7 1,-0.1 35,-0.1 -0.828 101.5 -63.3-137.5-178.9 -18.8 20.5 7.0 42 42 A T >> - 0 0 42 -2,-0.3 4,-2.2 -4,-0.2 3,-0.8 -0.238 55.6-105.1 -61.2 159.9 -17.5 22.4 4.0 43 43 A L H 3> S+ 0 0 23 25,-0.4 4,-2.6 1,-0.3 5,-0.3 0.870 117.5 62.1 -62.6 -40.4 -15.5 25.6 4.8 44 44 A D H 3> S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.899 112.7 39.2 -48.5 -41.5 -18.4 28.0 3.8 45 45 A K H <> S+ 0 0 54 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.877 113.7 50.0 -80.3 -44.5 -20.4 26.4 6.7 46 46 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.844 110.9 52.5 -67.2 -31.6 -17.7 26.0 9.3 47 47 A L H X S+ 0 0 34 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.955 111.3 45.5 -61.8 -53.5 -16.7 29.6 8.8 48 48 A I H X S+ 0 0 82 -4,-1.5 4,-2.7 -5,-0.3 -2,-0.2 0.925 112.8 52.4 -54.0 -48.7 -20.3 30.8 9.3 49 49 A N H X S+ 0 0 9 -4,-2.7 4,-2.1 -37,-0.2 -1,-0.2 0.916 110.5 46.4 -55.3 -48.0 -20.6 28.5 12.4 50 50 A G H X S+ 0 0 1 -4,-2.2 4,-2.2 -38,-0.2 -1,-0.2 0.918 112.9 48.8 -63.5 -45.5 -17.5 29.9 14.0 51 51 A L H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.902 109.8 53.7 -59.4 -41.9 -18.5 33.5 13.3 52 52 A N H X S+ 0 0 20 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.900 108.2 49.0 -58.9 -46.5 -21.9 32.8 14.8 53 53 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.951 113.6 45.7 -60.5 -49.1 -20.5 31.4 18.0 54 54 A C H X>S+ 0 0 1 -4,-2.2 5,-2.6 1,-0.2 4,-0.6 0.894 113.0 50.8 -62.2 -40.7 -18.2 34.4 18.5 55 55 A Q H ><5S+ 0 0 35 -4,-2.6 3,-0.8 3,-0.2 -1,-0.2 0.933 112.0 46.2 -63.2 -46.5 -21.0 36.9 17.7 56 56 A K H 3<5S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.866 118.1 40.8 -68.2 -37.7 -23.4 35.3 20.2 57 57 A L H 3<5S- 0 0 8 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.460 109.2-123.0 -86.2 -1.2 -20.8 35.1 23.0 58 58 A E T <<5 + 0 0 150 -3,-0.8 2,-0.7 -4,-0.6 -3,-0.2 0.895 48.5 168.8 55.3 45.2 -19.4 38.6 22.1 59 59 A I < - 0 0 11 -5,-2.6 2,-1.1 -6,-0.2 -1,-0.2 -0.796 24.1-157.0 -88.2 119.0 -15.9 37.1 21.7 60 60 A N + 0 0 140 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.0 -0.674 46.2 123.3-101.7 74.7 -13.8 39.8 20.0 61 61 A V - 0 0 23 -2,-1.1 -28,-0.1 -27,-0.0 2,-0.1 -0.977 66.4-105.2-128.4 138.4 -11.1 37.7 18.5 62 62 A P - 0 0 40 0, 0.0 -28,-2.4 0, 0.0 2,-0.4 -0.455 30.9-152.7 -66.1 142.0 -10.2 37.7 14.7 63 63 A V E -c 34 0A 3 35,-0.4 37,-2.5 -30,-0.2 2,-0.4 -0.978 8.9-163.5-118.1 132.7 -11.4 34.7 12.7 64 64 A Y E -c 35 0A 28 -30,-2.5 -28,-2.6 -2,-0.4 2,-0.4 -0.946 15.6-131.4-121.9 134.9 -9.5 33.6 9.6 65 65 A A E +c 36 0A 24 35,-0.4 39,-2.7 -2,-0.4 40,-0.2 -0.694 34.6 169.0 -82.5 133.0 -10.7 31.3 6.7 66 66 A G - 0 0 3 -30,-1.8 -29,-0.2 -2,-0.4 -1,-0.1 0.169 42.5 -2.4-113.2-129.1 -8.2 28.5 5.8 67 67 A M - 0 0 1 1,-0.1 -29,-2.3 -31,-0.1 -1,-0.2 -0.517 40.5-168.4 -77.6 124.4 -8.2 25.4 3.6 68 68 A P S S+ 0 0 25 0, 0.0 -25,-0.4 0, 0.0 -1,-0.1 0.478 77.3 30.5 -83.5 -5.1 -11.6 24.4 2.0 69 69 A Q S S- 0 0 53 374,-0.5 -31,-0.1 -27,-0.1 5,-0.1 -0.966 89.6 -97.6-146.0 158.2 -10.1 21.0 1.0 70 70 A P - 0 0 6 0, 0.0 5,-0.1 0, 0.0 100,-0.1 -0.264 44.1-105.8 -70.7 166.9 -7.6 18.4 2.3 71 71 A I S S- 0 0 9 1,-0.1 372,-0.1 311,-0.1 413,-0.1 0.792 98.5 -13.7 -70.9 -26.5 -4.2 18.5 0.8 72 72 A M S S+ 0 0 11 371,-0.1 -1,-0.1 411,-0.1 3,-0.1 0.583 107.7 83.6-142.6 -42.2 -4.5 15.3 -1.3 73 73 A R S S- 0 0 35 1,-0.1 2,-0.4 96,-0.1 3,-0.0 -0.188 84.2 -88.0 -77.8 171.3 -7.5 13.0 -0.6 74 74 A Q - 0 0 166 1,-0.1 -1,-0.1 -5,-0.1 -2,-0.0 -0.629 58.7-102.0 -77.0 126.3 -11.1 13.2 -1.8 75 75 A Q - 0 0 62 -2,-0.4 2,-0.3 -5,-0.1 -1,-0.1 -0.147 40.7-176.6 -57.0 138.5 -13.1 15.4 0.7 76 76 A I - 0 0 38 93,-0.2 2,-0.3 -35,-0.1 -35,-0.0 -0.949 6.8-158.0-126.1 154.1 -15.3 13.8 3.3 77 77 A V - 0 0 37 -2,-0.3 -37,-0.2 -37,-0.0 3,-0.2 -0.783 21.7-131.2-122.9 167.8 -17.6 15.6 5.9 78 78 A A >> + 0 0 4 -38,-1.4 4,-2.2 -39,-0.5 3,-1.2 -0.324 53.1 138.8-113.4 45.1 -19.1 14.5 9.2 79 79 A D H 3> + 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.724 64.6 71.1 -60.7 -20.9 -22.7 15.6 8.5 80 80 A N H 34 S+ 0 0 55 -3,-0.2 -1,-0.2 1,-0.2 150,-0.1 0.831 112.8 25.0 -64.6 -33.5 -23.8 12.4 10.3 81 81 A I H <4 S+ 0 0 7 -3,-1.2 -2,-0.2 2,-0.1 145,-0.2 0.791 132.7 37.0 -97.1 -36.1 -22.7 13.7 13.7 82 82 A H H < S- 0 0 12 -4,-2.2 6,-1.2 1,-0.2 4,-0.4 0.419 99.8-126.6-106.7 -1.1 -23.0 17.5 13.0 83 83 A G < - 0 0 9 -4,-1.8 3,-0.5 -5,-0.2 -1,-0.2 -0.015 42.0 -60.3 77.0 176.6 -26.0 17.9 10.8 84 84 A D S S+ 0 0 112 1,-0.3 -1,-0.2 2,-0.1 -5,-0.1 0.808 136.6 44.2 -70.1 -36.8 -26.4 19.7 7.5 85 85 A T S S- 0 0 67 -3,-0.2 -1,-0.3 -6,-0.1 -36,-0.2 0.638 108.1-123.3 -77.1 -19.1 -25.4 23.2 8.8 86 86 A G S S+ 0 0 0 -3,-0.5 -72,-0.2 -4,-0.4 -3,-0.2 0.251 103.4 51.0 87.3 -11.1 -22.4 21.6 10.8 87 87 A L S S+ 0 0 4 -74,-0.1 -4,-0.1 -75,-0.1 -5,-0.1 -0.186 74.3 173.5-151.2 48.9 -23.8 23.2 14.0 88 88 A D + 0 0 42 -6,-1.2 134,-0.2 1,-0.2 135,-0.1 -0.279 52.8 51.3 -57.2 142.9 -27.5 22.2 14.2 89 89 A G S S+ 0 0 53 1,-0.3 130,-0.2 133,-0.1 -1,-0.2 -0.695 85.8 70.8 131.9 -80.3 -29.3 23.2 17.4 90 90 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.277 68.7-127.2 -72.5 155.6 -28.9 26.9 18.4 91 91 A V - 0 0 106 -3,-0.1 2,-0.4 -2,-0.0 127,-0.0 -0.812 23.1-163.1 -97.0 148.2 -30.3 29.9 16.8 92 92 A F - 0 0 49 -2,-0.3 3,-0.1 -37,-0.0 -39,-0.1 -0.998 16.8-124.6-136.4 133.5 -28.1 32.8 15.7 93 93 A E - 0 0 141 -2,-0.4 3,-0.1 1,-0.2 -37,-0.1 -0.206 55.9 -68.8 -65.8 160.7 -28.9 36.5 14.8 94 94 A P - 0 0 105 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.254 63.2 -98.7 -58.2 144.7 -27.8 37.8 11.4 95 95 A L + 0 0 62 1,-0.1 -43,-0.1 -3,-0.1 3,-0.1 -0.367 38.8 176.0 -68.9 134.4 -24.0 38.1 11.1 96 96 A T + 0 0 122 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.011 66.3 60.9-122.7 22.1 -22.5 41.6 11.7 97 97 A R - 0 0 59 0, 0.0 2,-0.3 0, 0.0 -42,-0.1 -0.965 63.7-163.0-145.7 168.0 -19.0 40.4 11.4 98 98 A Q - 0 0 158 -2,-0.3 -35,-0.4 -3,-0.1 2,-0.1 -0.827 31.0 -79.6-145.2 166.1 -16.9 38.7 8.9 99 99 A A - 0 0 32 -2,-0.3 -35,-0.2 1,-0.1 2,-0.1 -0.418 52.6-104.3 -68.2 151.0 -13.7 36.8 8.3 100 100 A E - 0 0 92 -37,-2.5 -35,-0.4 2,-0.2 -1,-0.1 -0.346 28.6-117.8 -66.1 159.6 -10.5 38.7 8.1 101 101 A S S S+ 0 0 127 -37,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.746 88.9 91.6 -74.9 -20.9 -9.0 39.2 4.6 102 102 A T S S- 0 0 54 1,-0.1 -37,-0.3 2,-0.1 -2,-0.2 -0.595 84.5-115.9 -79.1 131.8 -5.8 37.2 5.4 103 103 A H > - 0 0 55 -2,-0.3 4,-2.3 -39,-0.1 -37,-0.2 -0.396 23.7-120.4 -62.8 141.9 -5.9 33.5 4.6 104 104 A A H > S+ 0 0 0 -39,-2.7 4,-2.3 1,-0.2 -38,-0.2 0.816 111.2 55.5 -57.4 -38.3 -5.5 31.4 7.8 105 105 A V H > S+ 0 0 1 -40,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.955 110.9 44.4 -62.2 -47.9 -2.3 29.7 6.5 106 106 A K H > S+ 0 0 108 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.893 113.0 51.9 -63.7 -41.5 -0.6 33.1 6.0 107 107 A Y H X S+ 0 0 25 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.889 110.3 48.2 -59.1 -43.1 -1.9 34.3 9.4 108 108 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.950 115.2 45.7 -63.2 -48.6 -0.5 31.2 11.1 109 109 A I H X S+ 0 0 17 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.971 115.4 45.2 -54.9 -57.6 2.9 31.7 9.3 110 110 A D H X S+ 0 0 71 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.858 113.6 48.9 -61.4 -39.9 3.2 35.4 10.0 111 111 A T H X S+ 0 0 32 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.904 114.3 44.7 -68.7 -43.9 2.1 35.2 13.6 112 112 A L H >< S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.2 5,-0.4 0.956 113.3 50.7 -63.7 -48.2 4.6 32.4 14.5 113 113 A M H 3< S+ 0 0 71 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.829 114.3 43.8 -61.3 -35.2 7.4 34.1 12.6 114 114 A A H 3< S+ 0 0 85 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.492 102.1 92.4 -86.9 -7.1 6.9 37.4 14.3 115 115 A S S << S- 0 0 13 -3,-1.2 -3,-0.1 -4,-0.6 -4,-0.0 -0.215 83.5-118.0 -81.0 174.9 6.5 35.7 17.8 116 116 A D - 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