==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-02 1H09 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE CP-1; . AUTHOR J.A.HERMOSO,B.MONTERROSO,A.ALBERT,P.GARCIA,M.MENENDEZ, . 338 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 19.5 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 . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 30 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 1 3 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 2 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 . 4 2 1 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 0 0 1 0 0 1 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 V 0 0 30 0, 0.0 188,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.1 25.7 14.7 43.3 2 3 A K > - 0 0 72 186,-0.2 3,-2.4 1,-0.1 183,-0.3 -0.761 360.0 -60.2-121.6 167.4 29.4 14.2 43.8 3 4 A K T 3 S+ 0 0 52 1,-0.3 183,-0.2 -2,-0.3 -1,-0.1 -0.145 122.8 12.9 -46.6 135.5 31.8 11.2 44.0 4 5 A N T 3 S+ 0 0 19 181,-4.0 -1,-0.3 1,-0.3 182,-0.1 0.433 90.6 137.1 73.0 2.7 30.9 8.8 46.8 5 6 A D < - 0 0 44 -3,-2.4 180,-2.8 180,-0.1 2,-0.3 -0.390 47.5-132.1 -71.6 159.5 27.4 10.4 47.4 6 7 A L E +A 184 0A 53 178,-0.2 2,-0.3 20,-0.1 23,-0.2 -0.794 25.6 176.1-114.7 157.9 24.7 7.8 47.8 7 8 A F E -A 183 0A 0 176,-1.8 176,-2.1 -2,-0.3 2,-0.4 -0.986 19.3-138.6-157.4 153.7 21.2 7.4 46.3 8 9 A V E -Ab 182 30A 0 21,-2.3 23,-1.5 -2,-0.3 2,-0.4 -0.882 11.4-152.2-113.2 144.9 18.3 5.0 46.4 9 10 A D E - b 0 31A 3 172,-0.9 172,-0.5 -2,-0.4 2,-0.3 -0.958 20.6-179.8-117.7 140.6 16.2 4.0 43.4 10 11 A V E + b 0 32A 0 21,-1.6 23,-2.4 -2,-0.4 2,-0.2 -0.899 16.0 175.2-137.6 166.2 12.6 2.9 43.8 11 12 A S > - 0 0 20 -2,-0.3 3,-1.8 21,-0.2 4,-0.3 -0.712 63.7 -64.0-147.5-166.2 9.5 1.7 41.9 12 13 A S G > S+ 0 0 50 1,-0.3 3,-1.4 -2,-0.2 4,-0.1 0.748 125.3 74.7 -63.9 -19.3 6.0 0.5 42.9 13 14 A H G 3 S+ 0 0 168 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.771 94.3 51.1 -63.8 -23.0 7.8 -2.4 44.6 14 15 A N G < S- 0 0 45 -3,-1.8 3,-0.4 1,-0.2 -1,-0.3 0.468 105.9-142.2 -93.3 -5.0 8.8 0.1 47.3 15 16 A G < - 0 0 23 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.023 33.8 -54.3 76.2-179.5 5.3 1.4 47.9 16 17 A Y S S+ 0 0 142 1,-0.2 2,-0.4 -4,-0.1 -1,-0.2 0.454 121.9 58.2 -79.0 -1.4 3.7 4.8 48.7 17 18 A D + 0 0 103 -3,-0.4 -1,-0.2 1,-0.1 4,-0.2 -0.907 46.8 153.0-135.4 109.0 6.0 5.4 51.7 18 19 A I > + 0 0 2 -2,-0.4 4,-1.6 29,-0.1 5,-0.2 0.187 44.8 106.3-116.9 14.3 9.7 5.4 51.3 19 20 A T H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.881 78.6 57.6 -61.2 -36.5 10.6 7.6 54.2 20 21 A G H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 107.2 42.5 -60.2 -52.6 11.8 4.5 56.0 21 22 A I H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.783 111.4 55.9 -68.9 -25.4 14.4 3.4 53.5 22 23 A L H X>S+ 0 0 11 -4,-1.6 4,-2.1 2,-0.2 5,-1.5 0.862 108.5 48.6 -72.9 -33.7 15.7 6.9 53.0 23 24 A E H <5S+ 0 0 150 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.933 112.9 47.5 -68.3 -45.9 16.3 7.2 56.7 24 25 A Q H <5S+ 0 0 127 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.950 115.1 45.1 -58.3 -52.0 18.1 3.9 56.7 25 26 A M H <5S- 0 0 23 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.854 106.6-130.8 -62.0 -37.1 20.2 4.8 53.7 26 27 A G T <5S+ 0 0 66 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.734 72.4 80.5 91.5 23.4 20.9 8.3 55.2 27 28 A T < - 0 0 26 -5,-1.5 -1,-0.3 2,-0.1 -2,-0.2 -0.984 62.5-147.7-154.6 158.2 20.0 10.3 52.1 28 29 A T + 0 0 77 -2,-0.3 25,-2.9 -22,-0.1 2,-0.2 0.371 62.0 121.9-107.2 -0.7 17.0 11.7 50.3 29 30 A N E + c 0 53A 27 -23,-0.2 -21,-2.3 23,-0.2 2,-0.3 -0.436 40.1 168.6 -64.1 131.4 18.6 11.4 46.8 30 31 A T E -bc 8 54A 0 23,-1.4 25,-3.3 -23,-0.2 26,-1.0 -0.967 39.2-153.0-145.6 160.4 16.5 9.1 44.6 31 32 A I E -bc 9 56A 0 -23,-1.5 -21,-1.6 -2,-0.3 2,-0.4 -0.978 32.6-158.4-131.4 113.4 16.0 8.0 41.0 32 33 A I E -bc 10 57A 0 24,-1.6 26,-2.0 -2,-0.4 2,-0.3 -0.794 16.7-118.7-103.7 139.6 12.3 7.0 40.7 33 34 A K E + c 0 58A 17 -23,-2.4 26,-0.2 -2,-0.4 3,-0.1 -0.562 34.1 169.0 -74.2 132.5 10.7 4.7 38.2 34 35 A I E + 0 0 0 24,-2.4 8,-2.5 1,-0.3 2,-0.3 0.783 54.5 3.0-106.2 -52.7 8.2 6.5 36.0 35 36 A S E -Dc 41 59A 0 23,-0.8 25,-2.6 6,-0.2 2,-0.3 -0.866 41.9-158.2-141.0 170.0 7.3 4.1 33.2 36 37 A E E >> S-Dc 40 60A 39 4,-1.5 4,-2.1 -2,-0.3 3,-0.7 -0.987 70.5 -24.4-146.8 139.3 7.5 0.8 31.4 37 38 A S T 34 S- 0 0 30 23,-1.5 40,-0.1 -2,-0.3 39,-0.1 -0.242 104.6 -61.6 53.4-140.3 6.8 0.0 27.8 38 39 A T T 34 S+ 0 0 49 38,-0.1 -1,-0.2 -3,-0.1 3,-0.0 0.313 132.5 44.1-118.8 6.5 4.3 2.6 26.3 39 40 A T T <4 S+ 0 0 118 -3,-0.7 2,-0.4 1,-0.0 -2,-0.2 0.485 88.6 87.7-130.4 -7.2 1.4 1.8 28.7 40 41 A Y E < -D 36 0A 75 -4,-2.1 -4,-1.5 2,-0.0 2,-0.4 -0.829 43.1-177.1-106.7 138.9 2.6 1.5 32.3 41 42 A L E -D 35 0A 75 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.997 33.0-118.3-131.5 131.3 3.1 4.1 34.9 42 43 A N > - 0 0 5 -8,-2.5 3,-1.5 -2,-0.4 -2,-0.0 -0.569 22.3-154.6 -66.9 113.3 4.4 3.6 38.4 43 44 A P T 3 S+ 0 0 68 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.703 89.3 61.8 -65.0 -20.0 1.5 4.7 40.7 44 45 A C T 3> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.1 5,-0.3 0.394 75.1 103.5 -87.2 3.8 3.8 5.6 43.6 45 46 A L H <> S+ 0 0 27 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.920 78.4 44.3 -51.8 -57.4 5.6 8.3 41.5 46 47 A S H > S+ 0 0 94 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.905 117.4 45.7 -59.2 -43.0 4.0 11.4 43.0 47 48 A A H > S+ 0 0 21 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.936 113.2 48.8 -66.3 -46.3 4.3 10.1 46.6 48 49 A Q H < S+ 0 0 0 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.859 113.5 48.4 -63.2 -32.8 7.9 9.0 46.1 49 50 A V H >< S+ 0 0 26 -4,-2.4 3,-1.9 -5,-0.3 -2,-0.2 0.961 110.3 50.5 -69.3 -50.8 8.8 12.3 44.6 50 51 A E H 3< S+ 0 0 158 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.859 110.9 51.0 -53.3 -39.2 7.1 14.3 47.4 51 52 A Q T 3< S+ 0 0 53 -4,-2.2 -1,-0.3 -5,-0.2 2,-0.2 0.344 116.8 25.9 -84.2 5.5 9.0 12.2 50.0 52 53 A S S < S- 0 0 23 -3,-1.9 -23,-0.2 -4,-0.1 -24,-0.1 -0.774 78.2 -98.9-149.2-167.4 12.5 12.7 48.5 53 54 A N E -c 29 0A 80 -25,-2.9 -23,-1.4 -2,-0.2 2,-0.1 -0.822 42.4-152.0-124.8 85.2 15.0 14.7 46.4 54 55 A P E -c 30 0A 12 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.362 21.4-178.7 -64.6 136.0 15.0 13.1 43.0 55 56 A I E S- 0 0 21 -25,-3.3 32,-1.3 1,-0.3 31,-0.3 0.411 72.3 -17.5-107.8 -5.7 18.2 13.3 41.0 56 57 A G E -ce 31 87A 0 -26,-1.0 -24,-1.6 30,-0.2 -1,-0.3 -0.976 57.9-125.1 179.5 172.9 16.7 11.4 38.1 57 58 A F E -ce 32 88A 0 30,-1.2 32,-3.4 -2,-0.3 2,-0.3 -0.954 22.6-146.6-133.3 153.4 13.9 9.1 36.8 58 59 A Y E -ce 33 89A 19 -26,-2.0 -24,-2.4 -2,-0.3 -23,-0.8 -0.896 3.9-150.7-126.9 158.6 14.1 5.8 35.0 59 60 A H E -ce 35 90A 0 30,-2.4 32,-2.9 -2,-0.3 2,-0.9 -0.977 18.1-133.3-124.5 134.1 12.2 3.9 32.4 60 61 A F E -ce 36 91A 24 -25,-2.6 -23,-1.5 -2,-0.4 32,-0.2 -0.788 31.5-137.6 -90.1 106.7 12.1 0.0 32.2 61 62 A A + 0 0 1 30,-2.1 32,-0.3 -2,-0.9 33,-0.2 -0.320 35.8 165.3 -69.3 142.6 12.7 -0.7 28.5 62 63 A R + 0 0 82 7,-0.1 -1,-0.1 -2,-0.1 -24,-0.1 0.152 52.9 99.1-136.2 12.2 10.7 -3.4 26.6 63 64 A F > - 0 0 7 1,-0.2 3,-2.5 -26,-0.1 2,-0.4 0.548 58.3-170.0 -81.7 -8.6 11.7 -2.3 23.0 64 65 A G T 3 S- 0 0 7 30,-0.3 -1,-0.2 1,-0.3 43,-0.2 -0.361 70.4 -26.4 58.4-112.4 14.4 -5.0 22.5 65 66 A G T 3 S+ 0 0 18 -2,-0.4 2,-0.9 41,-0.1 -1,-0.3 0.066 105.5 117.1-122.0 22.8 16.2 -4.0 19.3 66 67 A D <> - 0 0 77 -3,-2.5 4,-2.3 1,-0.2 3,-0.3 -0.811 44.5-168.5 -96.7 101.8 13.3 -2.2 17.7 67 68 A V H > S+ 0 0 52 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.842 87.2 54.1 -57.5 -38.2 14.3 1.5 17.2 68 69 A A H > S+ 0 0 40 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.887 110.7 45.9 -64.2 -40.0 10.8 2.6 16.4 69 70 A E H > S+ 0 0 47 -3,-0.3 4,-2.3 -6,-0.2 -2,-0.2 0.871 109.5 56.4 -69.9 -35.9 9.4 1.0 19.6 70 71 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.907 105.4 51.2 -62.2 -41.8 12.3 2.6 21.5 71 72 A E H X S+ 0 0 72 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.897 110.1 48.2 -63.4 -42.2 11.3 6.0 20.2 72 73 A R H X S+ 0 0 133 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.896 112.2 49.5 -67.5 -37.9 7.7 5.6 21.3 73 74 A E H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.906 109.8 51.3 -66.8 -40.1 8.8 4.4 24.8 74 75 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.874 110.9 48.1 -64.6 -38.0 11.2 7.3 25.2 75 76 A Q H X S+ 0 0 92 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.891 110.8 49.8 -70.5 -39.8 8.4 9.8 24.3 76 77 A F H X S+ 0 0 40 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.928 113.7 47.9 -61.5 -44.9 5.9 8.2 26.7 77 78 A F H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.977 114.0 45.9 -58.0 -58.3 8.7 8.3 29.4 78 79 A L H >< S+ 0 0 24 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.877 105.9 58.8 -53.1 -46.5 9.4 12.0 28.6 79 80 A D H 3< S+ 0 0 113 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.653 109.7 46.8 -61.1 -14.8 5.8 13.0 28.5 80 81 A N T << S+ 0 0 54 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.265 72.6 124.4-114.2 12.9 5.5 11.8 32.1 81 82 A V < - 0 0 23 -3,-1.7 3,-0.1 -4,-0.2 7,-0.0 -0.643 46.7-159.2 -72.0 122.4 8.6 13.3 33.7 82 83 A P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.534 64.0 4.5 -82.3 -12.9 7.0 15.3 36.7 83 84 A M S S- 0 0 75 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.972 87.8 -80.0-167.2 158.4 9.8 17.8 37.3 84 85 A Q + 0 0 178 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.475 52.0 162.0 -70.4 133.0 13.2 18.9 36.0 85 86 A V - 0 0 13 -2,-0.2 -29,-0.1 1,-0.1 35,-0.1 -0.927 45.8-119.4-143.2 159.6 16.1 16.6 37.0 86 87 A K S S+ 0 0 117 -31,-0.3 34,-3.2 -2,-0.3 2,-0.3 0.865 91.3 47.8 -72.2 -36.3 19.5 16.3 35.4 87 88 A Y E -ef 56 120A 8 -32,-1.3 -30,-1.2 32,-0.2 2,-0.4 -0.845 50.5-173.4-118.1 147.4 19.2 12.7 34.5 88 89 A L E -ef 57 121A 0 32,-1.8 34,-1.3 -2,-0.3 2,-0.4 -0.999 27.1-143.5-130.9 125.2 16.7 10.3 32.8 89 90 A V E -ef 58 122A 0 -32,-3.4 -30,-2.4 -2,-0.4 2,-0.7 -0.791 11.0-151.4-103.6 136.1 17.7 6.6 32.9 90 91 A L E -ef 59 123A 0 32,-3.4 34,-3.3 -2,-0.4 2,-1.1 -0.901 13.9-159.4 -99.5 110.3 17.2 3.9 30.3 91 92 A D E +ef 60 124A 7 -32,-2.9 -30,-2.1 -2,-0.7 2,-0.8 -0.790 17.1 174.9 -94.8 94.8 16.9 0.6 32.3 92 93 A Y + 0 0 0 32,-1.9 34,-0.3 -2,-1.1 -30,-0.1 -0.855 30.8 116.8-107.4 99.2 17.8 -2.0 29.6 93 94 A E + 0 0 53 -2,-0.8 2,-0.3 -32,-0.3 -1,-0.1 0.265 62.4 48.7-145.6 11.0 17.8 -5.5 31.2 94 95 A D S S+ 0 0 65 -33,-0.2 -30,-0.3 -3,-0.2 -1,-0.1 -0.973 91.3 25.5-152.0 164.4 15.1 -7.6 29.6 95 96 A D + 0 0 77 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.857 68.1 178.1 50.2 46.6 13.7 -8.7 26.3 96 97 A P - 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -31,-0.1 -0.504 27.0-122.1 -77.1 149.5 16.8 -8.2 24.2 97 98 A S - 0 0 40 2,-0.2 6,-0.1 -2,-0.1 -33,-0.0 -0.377 26.5-107.4 -80.9 170.1 16.6 -9.2 20.6 98 99 A G S S+ 0 0 94 1,-0.1 2,-0.7 -2,-0.1 -1,-0.1 0.674 103.0 78.9 -72.3 -15.3 19.0 -11.7 19.2 99 100 A D > - 0 0 88 1,-0.1 4,-2.0 2,-0.0 -2,-0.2 -0.841 62.9-165.1-100.4 108.9 20.9 -9.0 17.3 100 101 A A H > S+ 0 0 44 -2,-0.7 4,-2.2 1,-0.2 35,-0.4 0.772 88.5 53.8 -61.6 -30.3 23.2 -7.0 19.6 101 102 A Q H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.893 108.3 48.9 -72.9 -40.0 23.7 -4.2 17.1 102 103 A A H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.900 111.2 51.1 -64.1 -41.1 20.0 -3.6 16.8 103 104 A N H X S+ 0 0 0 -4,-2.0 4,-2.4 30,-0.2 -2,-0.2 0.943 111.8 47.7 -60.4 -46.4 19.8 -3.6 20.6 104 105 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 29,-0.2 -2,-0.2 0.913 111.1 50.0 -60.8 -46.5 22.6 -1.0 20.6 105 106 A N H X S+ 0 0 71 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.863 110.9 49.9 -61.4 -38.1 20.9 1.1 18.0 106 107 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.941 111.9 47.2 -67.1 -46.6 17.6 1.1 19.9 107 108 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.899 111.8 51.9 -60.1 -42.1 19.3 2.1 23.1 108 109 A L H X S+ 0 0 16 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.888 109.2 49.0 -63.6 -39.5 21.2 4.8 21.3 109 110 A R H X S+ 0 0 88 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.929 110.9 50.8 -66.1 -42.3 18.0 6.2 19.8 110 111 A F H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.955 114.6 42.8 -58.4 -51.1 16.3 6.2 23.2 111 112 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.854 109.4 57.7 -65.0 -35.7 19.2 8.0 24.9 112 113 A Q H X S+ 0 0 56 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.903 106.2 49.8 -62.5 -40.1 19.6 10.5 22.0 113 114 A M H X S+ 0 0 17 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.853 108.5 52.8 -66.6 -35.3 15.9 11.5 22.5 114 115 A I H <>S+ 0 0 0 -4,-1.5 5,-1.7 2,-0.2 3,-0.3 0.933 111.4 46.2 -64.6 -45.3 16.6 12.0 26.2 115 116 A A H ><5S+ 0 0 34 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.901 109.5 54.9 -63.7 -40.8 19.6 14.3 25.4 116 117 A D H 3<5S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 102.4 57.4 -62.9 -29.8 17.5 16.2 22.8 117 118 A A T 3<5S- 0 0 52 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.441 127.9 -97.3 -81.1 -0.2 14.8 16.9 25.4 118 119 A G T < 5S+ 0 0 62 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.773 86.0 110.9 92.5 27.4 17.5 18.6 27.5 119 120 A Y S - 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