==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JAN-10 3LAT . COMPND 2 MOLECULE: BIFUNCTIONAL AUTOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR S.ZOLL,T.STEHLE . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 19 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 0 2 2 2 2 0 2 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 7 A S 0 0 123 0, 0.0 203,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.0 42.7 49.1 83.3 2 8 A S + 0 0 126 201,-0.1 202,-0.1 2,-0.1 0, 0.0 0.685 360.0 91.3 -66.8 -19.6 44.1 47.5 86.4 3 9 A L S S- 0 0 51 200,-0.1 200,-0.1 1,-0.1 199,-0.1 -0.536 80.8-114.9 -86.5 143.0 40.7 47.5 88.0 4 10 A P - 0 0 85 0, 0.0 200,-2.7 0, 0.0 2,-0.2 -0.373 34.3-107.5 -67.8 150.4 38.1 44.7 87.8 5 11 A K - 0 0 153 198,-0.2 2,-0.2 1,-0.1 201,-0.0 -0.536 40.7-101.6 -73.9 146.3 34.8 45.3 86.0 6 12 A Y - 0 0 22 198,-0.4 -1,-0.1 -2,-0.2 197,-0.0 -0.513 26.5-137.3 -68.3 134.3 31.8 45.7 88.3 7 13 A T - 0 0 111 -2,-0.2 -1,-0.1 -3,-0.0 2,-0.0 -0.872 25.6-125.8 -90.7 111.6 29.6 42.6 88.5 8 14 A P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 183,-0.0 -0.326 15.3-159.8 -59.9 136.0 26.0 43.8 88.3 9 15 A K S S+ 0 0 142 1,-0.1 2,-0.4 178,-0.1 178,-0.0 0.540 77.0 54.1 -91.8 -10.9 23.8 42.6 91.2 10 16 A V S S- 0 0 42 177,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.993 86.0-121.7-130.1 127.7 20.6 43.2 89.3 11 17 A N + 0 0 165 -2,-0.4 2,-0.3 -3,-0.1 176,-0.1 -0.542 45.9 162.1 -64.7 125.7 19.6 42.0 85.9 12 18 A S > - 0 0 17 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.811 34.6-173.2-157.4 108.4 18.9 45.0 83.8 13 19 A S H > S+ 0 0 92 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.828 96.4 53.7 -70.5 -30.3 18.7 45.4 80.0 14 20 A I H > S+ 0 0 5 2,-0.2 4,-2.2 168,-0.2 -1,-0.2 0.943 109.8 45.9 -69.1 -45.5 18.4 49.2 80.5 15 21 A N H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.891 110.8 54.6 -61.4 -39.3 21.6 49.3 82.6 16 22 A N H X S+ 0 0 80 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.913 108.0 49.6 -56.7 -45.2 23.3 47.1 80.0 17 23 A Y H X S+ 0 0 65 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.897 110.7 49.7 -61.0 -44.5 22.3 49.6 77.3 18 24 A I H <>S+ 0 0 0 -4,-2.2 5,-1.8 2,-0.2 4,-0.4 0.938 114.5 43.9 -60.0 -48.4 23.7 52.5 79.4 19 25 A R H ><5S+ 0 0 36 -4,-2.7 3,-1.1 1,-0.2 188,-0.4 0.905 113.5 50.2 -64.9 -44.4 27.1 50.7 80.0 20 26 A K H 3<5S+ 0 0 156 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 110.5 49.5 -64.8 -37.5 27.4 49.5 76.4 21 27 A K T 3<5S- 0 0 124 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.526 104.3-134.9 -75.9 -7.2 26.8 53.0 75.1 22 28 A N T < 5 - 0 0 41 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.934 29.0-154.3 49.0 51.7 29.4 54.3 77.6 23 29 A M < - 0 0 20 -5,-1.8 2,-0.5 -6,-0.1 -1,-0.2 -0.326 6.2-150.4 -63.2 133.7 27.0 57.1 78.5 24 30 A K - 0 0 156 -3,-0.1 105,-0.1 -2,-0.0 -1,-0.1 -0.933 11.4-134.0-107.9 120.7 28.7 60.3 79.8 25 31 A A - 0 0 24 -2,-0.5 3,-0.1 103,-0.1 101,-0.0 -0.410 28.3-112.6 -66.7 146.9 26.7 62.4 82.2 26 32 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 61,-0.1 -0.261 42.8 -77.8 -73.0 169.0 26.8 66.2 81.5 27 33 A R - 0 0 223 1,-0.1 61,-0.7 -2,-0.0 2,-0.6 -0.316 49.7-106.1 -60.5 146.8 28.5 68.7 83.8 28 34 A I E -a 88 0A 67 59,-0.1 2,-0.3 -3,-0.1 61,-0.2 -0.710 39.9-154.0 -76.8 118.5 26.7 69.7 86.9 29 35 A E E -a 89 0A 67 59,-2.7 61,-3.4 -2,-0.6 2,-0.5 -0.708 5.5-137.1 -93.4 147.3 25.3 73.2 86.3 30 36 A E E +a 90 0A 138 -2,-0.3 2,-0.2 59,-0.2 61,-0.2 -0.919 28.1 164.8-103.5 125.8 24.6 75.7 89.1 31 37 A D + 0 0 60 59,-3.0 2,-0.1 -2,-0.5 -2,-0.0 -0.701 20.3 172.6-135.7 82.6 21.3 77.7 88.9 32 38 A Y - 0 0 81 -2,-0.2 2,-0.4 60,-0.0 60,-0.1 -0.432 24.7-137.5 -95.3 167.7 20.8 79.2 92.4 33 39 A T > - 0 0 19 58,-0.4 3,-1.5 -2,-0.1 -2,-0.0 -0.989 8.5-142.0-133.4 125.4 18.3 81.8 93.7 34 40 A S T 3 S+ 0 0 123 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.740 98.5 49.1 -57.9 -30.3 19.1 84.6 96.0 35 41 A Y T 3 S+ 0 0 112 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.448 78.4 114.1 -97.5 0.4 15.9 84.4 98.1 36 42 A F S < S- 0 0 15 -3,-1.5 2,-0.1 1,-0.1 39,-0.0 -0.471 74.8-108.3 -66.5 142.9 15.8 80.6 98.8 37 43 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.382 23.3-148.2 -73.3 153.1 16.3 80.0 102.5 38 44 A K + 0 0 127 -2,-0.1 2,-0.4 -3,-0.1 60,-0.1 -0.843 29.8 158.4-129.0 90.1 19.6 78.5 103.8 39 45 A Y - 0 0 134 -2,-0.5 58,-3.0 58,-0.3 5,-0.0 -0.901 37.1-115.8-114.5 142.0 19.1 76.3 106.8 40 46 A G - 0 0 22 -2,-0.4 5,-0.3 56,-0.2 56,-0.2 -0.228 31.1-103.8 -68.6 161.1 21.4 73.5 108.1 41 47 A Y B > -G 44 0B 9 3,-1.1 3,-1.4 54,-0.4 67,-0.2 -0.228 47.8 -89.7 -69.9 174.5 20.6 69.9 108.2 42 48 A R T 3 S+ 0 0 130 65,-2.9 66,-0.1 1,-0.3 3,-0.1 0.802 132.2 43.6 -64.7 -27.2 19.8 68.4 111.6 43 49 A N T 3 S- 0 0 107 4,-0.4 -1,-0.3 64,-0.4 2,-0.2 0.411 129.3 -83.1 -95.0 -1.0 23.5 67.6 112.2 44 50 A G B X -G 41 0B 26 -3,-1.4 3,-1.7 3,-0.1 -3,-1.1 -0.452 59.4 -42.7 129.1 167.0 24.6 71.0 110.9 45 51 A V T 3 S+ 0 0 79 -5,-0.3 51,-0.2 1,-0.3 -5,-0.1 -0.422 127.6 21.9 -57.5 136.6 25.3 73.0 107.7 46 52 A G T 3 S+ 0 0 23 49,-3.0 -1,-0.3 -2,-0.1 50,-0.1 0.542 99.1 106.0 79.9 9.1 27.4 70.8 105.4 47 53 A R < + 0 0 167 -3,-1.7 -4,-0.4 48,-0.4 -3,-0.1 -0.325 38.5 163.1-122.3 54.5 26.2 67.6 107.0 48 54 A P - 0 0 8 0, 0.0 61,-0.2 0, 0.0 60,-0.1 -0.352 28.0-151.9 -66.3 154.7 23.7 65.8 104.7 49 55 A E - 0 0 31 59,-3.6 2,-0.3 1,-0.2 60,-0.2 0.391 62.3 -46.0-108.0 -2.6 23.1 62.1 105.6 50 56 A G E -b 109 0A 1 58,-0.6 60,-2.8 93,-0.1 2,-0.3 -0.990 63.1 -76.2 162.5-163.1 22.2 60.9 102.1 51 57 A I E -bc 110 156A 2 104,-2.6 106,-2.9 -2,-0.3 2,-0.4 -0.961 26.7-138.2-138.0 146.2 20.1 61.6 99.0 52 58 A V E -bc 111 157A 0 58,-3.3 60,-1.5 -2,-0.3 2,-0.7 -0.872 10.5-140.4-109.9 138.4 16.5 61.2 97.9 53 59 A V E +bc 112 158A 0 104,-2.7 106,-1.7 -2,-0.4 2,-0.3 -0.879 33.0 165.3 -96.5 114.4 15.1 59.9 94.6 54 60 A H E -b 113 0A 3 58,-2.0 60,-1.9 -2,-0.7 2,-0.4 -0.854 26.9-148.4-116.4 158.6 12.1 61.8 93.4 55 61 A D E -b 114 0A 27 -2,-0.3 60,-0.2 58,-0.2 118,-0.1 -0.963 39.2 -94.9-119.4 151.1 10.3 62.1 90.1 56 62 A T - 0 0 1 58,-2.4 5,-0.0 -2,-0.4 26,-0.0 -0.240 26.5-124.0 -65.4 149.8 8.6 65.3 89.1 57 63 A A S S+ 0 0 102 2,-0.0 2,-0.3 58,-0.0 -1,-0.1 0.794 93.2 62.5 -64.4 -30.8 4.9 65.8 89.8 58 64 A N - 0 0 96 1,-0.1 58,-0.4 58,-0.0 3,-0.4 -0.777 64.1-156.2-101.1 139.7 4.1 66.5 86.2 59 65 A D S S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.578 93.5 46.5 -85.6 -9.6 4.5 64.1 83.3 60 66 A N S S+ 0 0 133 2,-0.1 -1,-0.2 55,-0.0 2,-0.1 0.204 84.2 110.7-121.8 18.3 4.7 66.8 80.8 61 67 A S - 0 0 25 -3,-0.4 2,-0.3 4,-0.0 55,-0.1 -0.451 55.7-134.2 -91.2 161.2 7.1 69.4 82.2 62 68 A T > - 0 0 83 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.751 29.5-109.7-103.8 164.1 10.5 70.4 81.0 63 69 A I H > S+ 0 0 1 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.903 122.6 50.4 -58.9 -37.9 13.5 70.9 83.3 64 70 A D H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 110.6 48.4 -67.3 -40.4 13.2 74.7 82.5 65 71 A G H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 110.3 51.9 -64.8 -43.4 9.5 74.7 83.3 66 72 A E H X S+ 0 0 30 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.928 111.8 46.6 -57.0 -48.0 10.1 72.8 86.6 67 73 A I H X S+ 0 0 8 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.926 112.0 49.2 -66.2 -43.3 12.7 75.3 87.7 68 74 A A H X S+ 0 0 46 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.920 112.6 48.1 -60.6 -42.9 10.7 78.4 86.8 69 75 A F H X S+ 0 0 116 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.904 111.2 51.6 -64.1 -40.7 7.6 77.0 88.7 70 76 A M H < S+ 0 0 11 -4,-2.4 4,-0.3 1,-0.2 7,-0.2 0.897 106.0 52.9 -65.5 -42.0 9.8 76.2 91.7 71 77 A K H >< S+ 0 0 47 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.878 112.4 46.7 -62.3 -34.6 11.3 79.7 91.8 72 78 A R H 3< S+ 0 0 169 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.791 124.2 32.1 -72.0 -28.4 7.7 81.1 91.9 73 79 A N T >X S+ 0 0 64 -4,-1.5 3,-2.1 4,-0.1 4,-1.8 0.014 74.7 129.1-122.1 26.8 6.6 78.6 94.5 74 80 A Y T <4 + 0 0 60 -3,-0.5 -1,-0.1 -4,-0.3 25,-0.1 0.724 66.5 65.7 -62.3 -24.6 9.7 78.1 96.6 75 81 A T T 34 S+ 0 0 103 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.692 109.9 39.8 -71.7 -16.8 7.9 78.8 99.9 76 82 A N T <4 S- 0 0 133 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.842 134.4 -17.6 -90.7 -46.7 5.9 75.6 99.3 77 83 A A < + 0 0 39 -4,-1.8 -1,-0.3 -7,-0.2 2,-0.3 -0.968 55.7 166.4-160.8 143.6 8.7 73.4 97.9 78 84 A F B -H 99 0C 3 21,-1.3 21,-1.0 -2,-0.3 2,-0.2 -0.966 16.2-155.0-152.3 157.6 12.1 73.6 96.4 79 85 A V - 0 0 7 -2,-0.3 33,-0.1 19,-0.2 3,-0.1 -0.781 25.4-117.7-130.0 171.1 14.8 70.9 95.7 80 86 A H S S- 0 0 0 31,-2.0 11,-1.9 -2,-0.2 12,-1.6 0.813 86.3 -3.5 -79.2 -34.5 18.5 70.7 95.4 81 87 A A E -De 90 112A 0 30,-1.3 32,-2.9 9,-0.3 2,-0.4 -0.996 49.0-150.1-159.6 154.2 18.7 69.4 91.8 82 88 A F E -De 89 113A 5 7,-2.3 7,-2.9 -2,-0.3 2,-0.4 -0.968 14.7-169.3-123.3 144.8 16.9 68.3 88.7 83 89 A V E +De 88 114A 0 30,-2.4 32,-2.9 -2,-0.4 5,-0.2 -0.987 11.4 163.2-128.7 143.2 18.1 65.8 86.0 84 90 A D - 0 0 24 3,-2.3 45,-0.2 -2,-0.4 33,-0.1 -0.608 59.9 -72.1-130.2-156.3 16.7 65.0 82.6 85 91 A G S S+ 0 0 5 -2,-0.2 3,-0.1 1,-0.2 32,-0.0 0.639 128.9 24.8 -74.7 -12.4 18.1 63.2 79.6 86 92 A N S S+ 0 0 106 1,-0.2 2,-0.3 -61,-0.0 -1,-0.2 0.632 117.7 39.6-123.2 -25.1 20.4 66.1 78.7 87 93 A R - 0 0 78 -61,-0.1 -3,-2.3 -62,-0.0 2,-0.4 -0.939 45.6-157.0-137.9 151.1 21.2 68.2 81.8 88 94 A I E -aD 28 83A 1 -61,-0.7 -59,-2.7 -2,-0.3 2,-0.5 -0.993 25.9-177.3-123.2 119.5 22.0 68.0 85.5 89 95 A I E -aD 29 82A 2 -7,-2.9 -7,-2.3 -2,-0.4 2,-0.6 -0.959 17.7-152.7-128.3 115.2 21.1 71.3 87.2 90 96 A E E +aD 30 81A 15 -61,-3.4 -59,-3.0 -2,-0.5 -9,-0.3 -0.788 14.9 177.8 -87.7 121.8 21.7 72.1 90.9 91 97 A T + 0 0 1 -11,-1.9 -58,-0.4 -2,-0.6 -10,-0.2 0.459 65.8 28.4-106.2 -7.8 19.1 74.6 92.1 92 98 A A S S- 0 0 3 -12,-1.6 -1,-0.2 -60,-0.1 2,-0.1 -0.976 91.4 -96.0-152.9 144.1 20.1 74.9 95.8 93 99 A P > - 0 0 28 0, 0.0 3,-1.4 0, 0.0 -2,-0.0 -0.348 27.1-139.3 -63.8 135.7 23.4 74.4 97.6 94 100 A T T 3 S+ 0 0 10 1,-0.3 4,-0.1 -14,-0.1 -48,-0.1 0.595 94.9 73.8 -74.8 -10.4 23.7 70.9 99.0 95 101 A D T 3 S+ 0 0 54 -49,-0.1 -49,-3.0 -50,-0.1 -48,-0.4 0.620 99.8 50.1 -75.3 -12.8 25.3 72.1 102.3 96 102 A Y S < S- 0 0 64 -3,-1.4 -56,-0.2 -51,-0.2 -58,-0.0 -0.849 95.7-101.1-120.9 160.2 21.9 73.4 103.4 97 103 A L - 0 0 6 -58,-3.0 -58,-0.3 -2,-0.3 2,-0.3 -0.166 28.8-148.6 -73.8 170.8 18.5 71.6 103.4 98 104 A S - 0 0 0 11,-0.4 2,-0.8 8,-0.4 3,-0.3 -0.853 21.9-112.2-130.3 173.5 15.7 71.8 100.8 99 105 A W B S+H 78 0C 74 -21,-1.0 -21,-1.3 -2,-0.3 -2,-0.0 -0.702 78.0 99.9-109.8 78.9 11.9 71.5 101.0 100 106 A G S S+ 0 0 19 -2,-0.8 -1,-0.2 2,-0.2 -21,-0.1 0.472 74.6 41.1-138.9 -3.1 11.0 68.4 99.1 101 107 A A S > S- 0 0 0 1,-0.4 4,-0.7 -3,-0.3 3,-0.2 0.113 106.4 -89.0-141.7 23.9 10.4 65.4 101.3 102 108 A G H > - 0 0 19 1,-0.2 4,-2.7 3,-0.2 -1,-0.4 -0.040 62.1 -60.7 79.0 168.8 8.4 66.5 104.4 103 109 A P H > S+ 0 0 71 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.824 133.5 43.5 -59.2 -36.2 9.9 67.8 107.7 104 110 A Y H 4 S+ 0 0 129 63,-0.2 4,-0.4 2,-0.2 -2,-0.1 0.925 115.9 45.4 -81.6 -44.3 11.9 64.7 108.6 105 111 A G H >X S+ 0 0 0 -4,-0.7 4,-2.4 62,-0.3 3,-1.6 0.912 110.1 56.7 -58.7 -43.9 13.3 63.9 105.2 106 112 A N H 3< S+ 0 0 15 -4,-2.7 -8,-0.4 1,-0.3 -1,-0.2 0.841 100.5 57.4 -60.7 -36.0 14.3 67.5 104.7 107 113 A Q T 3< S+ 0 0 80 -4,-1.1 -65,-2.9 -5,-0.2 -64,-0.4 0.648 121.4 25.4 -67.1 -14.9 16.4 67.6 107.9 108 114 A R T <4 S+ 0 0 48 -3,-1.6 -59,-3.6 -4,-0.4 -58,-0.6 0.723 108.0 55.2-120.2 -33.0 18.5 64.7 106.6 109 115 A F E < -b 50 0A 0 -4,-2.4 -11,-0.4 -61,-0.2 2,-0.3 -0.861 66.8-115.8-129.7 148.4 18.7 64.3 102.8 110 116 A I E -b 51 0A 3 -60,-2.8 -58,-3.3 -2,-0.3 2,-0.6 -0.612 36.8-137.1 -72.8 129.1 19.6 66.0 99.5 111 117 A N E +b 52 0A 0 -2,-0.3 -31,-2.0 -60,-0.2 -30,-1.3 -0.840 25.8 178.9 -98.1 116.0 16.4 66.2 97.3 112 118 A V E -be 53 81A 0 -60,-1.5 -58,-2.0 -2,-0.6 2,-0.4 -0.964 13.4-149.3-123.4 133.8 16.9 65.3 93.7 113 119 A E E -be 54 82A 26 -32,-2.9 -30,-2.4 -2,-0.4 2,-0.7 -0.847 5.5-148.3-106.4 131.3 14.2 65.3 91.0 114 120 A I E -be 55 83A 0 -60,-1.9 -58,-2.4 -2,-0.4 2,-0.2 -0.873 20.5-142.8 -92.7 114.1 14.0 63.1 87.9 115 121 A V - 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0 0 35 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.833 44.9-137.9-108.1 149.5 29.2 59.0 102.3 144 150 A K - 0 0 136 -2,-0.3 11,-0.2 -3,-0.1 2,-0.1 -0.898 30.1-101.2-107.4 141.7 29.0 55.4 101.1 145 151 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 -95,-0.0 -0.395 49.9 158.4 -64.6 132.6 26.0 54.1 99.1 146 152 A D - 0 0 79 -2,-0.1 10,-2.2 0, 0.0 9,-2.0 -0.854 36.8-129.1-157.4 114.9 23.6 52.1 101.2 147 153 A S B -f 156 0A 29 -2,-0.3 3,-0.4 7,-0.2 6,-0.2 -0.556 13.7-166.2 -75.7 128.3 20.0 51.6 100.1 148 154 A A > + 0 0 0 8,-2.8 4,-2.3 -2,-0.3 -1,-0.1 0.377 57.9 107.8 -89.8 3.7 17.3 52.4 102.8 149 155 A E T 4 S+ 0 0 29 7,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.817 86.6 26.6 -59.0 -38.5 14.5 50.8 100.9 150 156 A N T 4 S+ 0 0 153 -3,-0.4 -1,-0.2 3,-0.2 -2,-0.1 0.689 135.3 21.0-103.6 -18.7 14.0 47.7 103.1 151 157 A D T 4 S- 0 0 72 2,-0.2 -2,-0.2 -4,-0.2 -3,-0.1 0.400 93.4-116.0-133.4 2.7 15.2 48.7 106.5 152 158 A G S < S+ 0 0 16 -4,-2.3 2,-0.4 1,-0.2 -4,-0.1 0.765 79.1 111.9 67.3 25.1 15.2 52.5 106.8 153 159 A R + 0 0 165 -6,-0.2 2,-0.3 3,-0.1 -2,-0.2 -0.987 48.5 43.4-127.7 140.5 18.9 52.7 107.2 154 160 A G S S- 0 0 20 -2,-0.4 -7,-0.2 1,-0.1 3,-0.1 -0.833 81.5 -74.8 130.4-163.3 21.5 54.2 104.7 155 161 A T S S+ 0 0 17 -9,-2.0 -104,-2.6 -2,-0.3 2,-0.5 0.442 100.2 68.4-122.0 -9.0 22.3 57.0 102.4 156 162 A V E +cf 51 147A 0 -10,-2.2 -8,-2.8 -106,-0.2 2,-0.4 -0.970 62.9 174.6-120.2 116.8 20.1 56.4 99.3 157 163 A W E -c 52 0A 0 -106,-2.9 -104,-2.7 -2,-0.5 2,-0.2 -0.971 25.4-145.7-125.6 129.5 16.4 56.9 99.9 158 164 A T E > -c 53 0A 0 -2,-0.4 4,-1.9 -106,-0.2 -104,-0.2 -0.551 34.8-115.1 -75.0 157.1 13.3 56.8 97.6 159 165 A H H > S+ 0 0 3 -106,-1.7 4,-2.8 14,-0.6 5,-0.2 0.914 120.9 60.1 -56.4 -38.0 10.6 59.2 98.7 160 166 A A H > S+ 0 0 6 13,-1.9 4,-2.4 -107,-0.3 -1,-0.2 0.902 102.7 50.0 -53.6 -45.0 8.6 56.0 99.3 161 167 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.877 109.4 50.8 -64.4 -39.7 11.2 54.9 101.9 162 168 A I H X>S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-2.1 0.957 111.5 48.3 -60.1 -49.2 11.0 58.3 103.6 163 169 A S H <5S+ 0 0 22 -4,-2.8 -2,-0.2 8,-0.4 -1,-0.2 0.910 116.7 43.6 -56.5 -43.1 7.2 57.9 103.7 164 170 A N H <5S+ 0 0 121 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.903 127.5 24.1 -70.0 -46.8 7.5 54.4 105.1 165 171 A F H <5S+ 0 0 91 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.770 135.6 23.0 -98.4 -30.3 10.2 54.8 107.7 166 172 A L T <5S- 0 0 42 -4,-2.5 -3,-0.2 -5,-0.5 -4,-0.1 0.706 82.9-163.1-106.8 -30.8 10.1 58.5 108.7 167 173 A G < + 0 0 21 -5,-2.1 -62,-0.3 -6,-0.2 -63,-0.2 -0.348 51.1 118.5 69.9-160.0 6.6 59.7 107.8 168 174 A G S S+ 0 0 44 -64,-0.1 2,-0.3 -65,-0.1 -1,-0.1 0.412 89.7 39.7 75.7 -1.4 5.9 63.4 107.6 169 175 A T - 0 0 28 -6,-0.2 -2,-0.1 -67,-0.2 -3,-0.1 -0.951 60.9-158.4-167.5 158.9 5.0 62.6 103.9 170 176 A D + 0 0 137 -2,-0.3 -10,-0.0 -3,-0.1 -1,-0.0 0.360 44.2 131.0-130.2 3.5 3.3 59.9 102.0 171 177 A H - 0 0 107 1,-0.1 -8,-0.4 -12,-0.1 -9,-0.1 -0.292 39.7-160.1 -64.8 145.3 4.5 60.2 98.4 172 178 A A > + 0 0 66 -9,-0.1 3,-1.1 -10,-0.1 4,-0.3 0.184 33.8 171.1-114.5 14.7 5.7 56.9 96.9 173 179 A D T 3 + 0 0 22 1,-0.3 -13,-1.9 2,-0.1 -14,-0.6 -0.315 46.0 23.3 -64.4 153.7 7.9 58.1 94.0 174 180 A P T 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 -0.936 100.7 79.4 -99.4 15.7 9.8 57.1 92.0 175 181 A H H <> S+ 0 0 39 -3,-1.1 4,-2.7 1,-0.2 5,-0.2 0.885 98.2 40.0 -54.9 -53.2 8.6 53.5 91.9 176 182 A Q H > S+ 0 0 126 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.906 115.7 53.7 -66.1 -40.0 5.5 53.7 89.7 177 183 A Y H > S+ 0 0 12 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.951 111.7 44.0 -55.6 -52.8 7.3 56.2 87.4 178 184 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 3,-1.3 0.916 111.8 53.8 -61.9 -42.2 10.3 53.8 86.9 179 185 A R H ><5S+ 0 0 135 -4,-2.7 3,-2.0 -5,-0.3 -1,-0.2 0.874 100.7 60.5 -58.2 -37.8 8.0 50.8 86.4 180 186 A S H 3<5S+ 0 0 72 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.678 107.2 46.5 -66.0 -17.2 6.1 52.7 83.7 181 187 A H T <<5S- 0 0 41 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.043 123.5-104.8-108.6 23.1 9.5 52.8 81.8 182 188 A N T < 5S+ 0 0 142 -3,-2.0 -3,-0.2 1,-0.2 -168,-0.2 0.792 89.3 105.5 58.9 34.4 10.2 49.1 82.4 183 189 A Y < - 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0 0 34 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.832 45.1-136.1-107.9 150.9 23.9 42.5 13.8 352 150 B K - 0 0 158 -2,-0.3 11,-0.2 -3,-0.1 2,-0.1 -0.901 29.6-101.1-107.1 143.0 23.7 45.6 16.0 353 151 B P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -95,-0.0 -0.392 50.1 159.1 -64.8 131.7 20.6 46.3 18.3 354 152 B D - 0 0 85 -2,-0.1 10,-2.1 0, 0.0 9,-1.9 -0.864 36.3-128.5-155.5 115.3 18.2 48.8 16.8 355 153 B S B -n 364 0D 30 -2,-0.3 3,-0.3 7,-0.2 6,-0.3 -0.523 13.9-167.1 -74.8 129.3 14.6 49.0 17.9 356 154 B A > + 0 0 0 8,-2.7 4,-2.2 -2,-0.3 3,-0.2 0.367 58.9 106.7 -89.9 4.7 11.9 48.9 15.2 357 155 B E T 4 S+ 0 0 42 7,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.790 86.0 28.4 -61.0 -35.4 9.1 50.0 17.5 358 156 B N T 4 S+ 0 0 151 -3,-0.3 -1,-0.2 3,-0.2 -2,-0.1 0.672 135.7 18.5-104.0 -20.5 8.6 53.6 16.2 359 157 B D T 4 S- 0 0 91 2,-0.2 -2,-0.2 -4,-0.2 -3,-0.1 0.367 93.9-114.6-136.0 4.8 9.7 53.5 12.6 360 158 B G S < S+ 0 0 17 -4,-2.2 2,-0.4 1,-0.2 -4,-0.1 0.797 79.9 111.8 65.0 29.6 9.7 49.9 11.4 361 159 B R + 0 0 178 -6,-0.3 2,-0.3 3,-0.1 -2,-0.2 -0.996 48.0 47.2-132.3 137.9 13.5 49.8 10.8 362 160 B G S S- 0 0 25 -2,-0.4 -7,-0.2 1,-0.1 3,-0.1 -0.871 81.2 -75.7 135.1-164.4 16.0 47.8 12.8 363 161 B T S S+ 0 0 16 -9,-1.9 -104,-2.5 -2,-0.3 2,-0.5 0.435 101.3 66.5-119.9 -10.1 16.9 44.4 14.3 364 162 B V E +kn 259 355D 0 -10,-2.1 -8,-2.7 -106,-0.2 2,-0.4 -0.970 63.4 175.0-122.5 116.4 14.7 44.1 17.4 365 163 B W E -k 260 0D 5 -106,-2.8 -104,-2.6 -2,-0.5 2,-0.2 -0.970 24.9-146.5-124.6 129.3 11.0 43.8 16.7 366 164 B T E > -k 261 0D 0 -2,-0.4 4,-1.8 -106,-0.2 -104,-0.2 -0.575 35.4-114.9 -73.9 157.0 8.0 43.3 18.9 367 165 B H H > S+ 0 0 5 -106,-1.8 4,-2.7 14,-0.5 5,-0.2 0.909 120.9 60.6 -55.3 -38.4 5.3 41.2 17.2 368 166 B A H > S+ 0 0 14 13,-2.1 4,-2.4 -107,-0.3 -1,-0.2 0.905 101.9 50.5 -54.7 -43.6 3.3 44.5 17.5 369 167 B A H >>S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.881 109.0 51.0 -65.1 -39.4 5.9 46.3 15.4 370 168 B I H X>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 4,-2.3 0.957 111.1 48.8 -60.6 -48.5 5.6 43.6 12.7 371 169 B S H <5S+ 0 0 24 -4,-2.7 -2,-0.2 8,-0.4 -1,-0.2 0.909 117.1 42.1 -56.2 -43.3 1.8 44.0 12.7 372 170 B N H <5S+ 0 0 118 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.894 128.4 23.4 -74.3 -42.1 2.1 47.8 12.4 373 171 B F H <5S+ 0 0 76 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.764 135.3 24.7-101.1 -30.4 4.8 48.2 9.9 374 172 B L T < + 0 0 67 -9,-0.1 3,-1.1 -10,-0.1 4,-0.3 0.180 32.9 171.3-113.5 14.4 0.3 43.0 19.5 381 179 B D T 3 + 0 0 21 1,-0.3 -13,-2.1 2,-0.1 -14,-0.5 -0.311 46.6 22.8 -62.7 153.1 2.5 41.0 21.9 382 180 B P T 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.3 -0.936 100.7 79.6 -99.5 16.9 4.4 41.4 24.1 383 181 B H H <> S+ 0 0 60 -3,-1.1 4,-2.7 1,-0.2 5,-0.2 0.878 98.4 39.2 -56.6 -54.3 3.1 44.9 25.3 384 182 B Q H > S+ 0 0 110 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.902 115.8 54.5 -65.3 -39.5 0.1 44.0 27.3 385 183 B Y H > S+ 0 0 13 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.953 112.1 42.7 -56.1 -51.3 1.9 41.0 28.8 386 184 B L H ><>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 3,-1.2 0.909 112.3 54.3 -64.2 -41.4 4.8 43.1 30.0 387 185 B R H ><5S+ 0 0 163 -4,-2.7 3,-2.0 -5,-0.3 -1,-0.2 0.874 101.3 59.3 -55.4 -41.4 2.4 45.9 31.2 388 186 B S H 3<5S+ 0 0 67 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.679 107.4 47.1 -65.7 -17.6 0.6 43.2 33.3 389 187 B H T <<5S- 0 0 41 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.069 123.1-104.9-108.9 22.0 3.9 42.6 35.1 390 188 B N T < 5S+ 0 0 145 -3,-2.0 -3,-0.2 1,-0.2 -168,-0.2 0.802 89.6 105.1 59.9 34.4 4.7 46.3 35.6 391 189 B Y < - 0 0 7 -5,-2.6 2,-0.3 -8,-0.1 -1,-0.2 -0.598 52.3-153.1-130.8-174.3 7.3 46.2 32.9 392 190 B S > - 0 0 37 -2,-0.2 4,-2.1 -3,-0.1 3,-0.1 -0.990 32.7-110.0-161.7 158.4 7.5 47.4 29.3 393 191 B Y H > S+ 0 0 12 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.882 116.3 61.2 -61.2 -39.1 9.2 46.8 25.9 394 192 B A H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 107.8 44.8 -54.4 -41.6 11.2 50.0 26.3 395 193 B E H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 112.1 51.2 -69.1 -43.2 12.7 48.5 29.5 396 194 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.921 110.1 49.9 -58.4 -46.1 13.3 45.2 27.8 397 195 B Y H X S+ 0 0 41 -4,-3.3 4,-3.0 1,-0.2 -1,-0.2 0.904 106.9 54.0 -62.6 -41.4 15.1 46.9 24.9 398 196 B D H X S+ 0 0 4 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.888 110.7 48.0 -58.2 -37.5 17.3 48.9 27.2 399 197 B L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.901 111.2 49.2 -70.3 -42.4 18.3 45.5 28.8 400 198 B I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.933 111.6 50.9 -56.8 -47.3 19.0 43.9 25.4 401 199 B Y H X S+ 0 0 69 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.936 111.4 46.0 -59.6 -50.8 21.1 46.9 24.4 402 200 B E H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.926 111.9 51.1 -57.5 -47.1 23.2 46.8 27.6 403 201 B K H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.886 108.2 52.7 -63.3 -37.7 23.7 43.0 27.3 404 202 B Y H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.916 110.2 48.2 -59.3 -44.8 24.9 43.5 23.7 405 203 B L H <>S+ 0 0 17 -4,-2.1 5,-3.2 2,-0.2 6,-1.2 0.843 112.0 49.7 -66.0 -33.4 27.4 46.1 24.9 406 204 B I H ><5S+ 0 0 34 -4,-2.3 3,-1.5 3,-0.2 -2,-0.2 0.937 111.5 48.0 -68.1 -47.8 28.6 43.8 27.7 407 205 B K H 3<5S+ 0 0 50 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.837 112.1 49.4 -62.0 -34.5 29.0 40.8 25.3 408 206 B T T 3<5S- 0 0 39 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.213 116.2-114.7 -92.8 13.9 30.9 43.0 22.8 409 207 B K T < 5S+ 0 0 163 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.832 82.7 118.5 60.4 40.7 33.2 44.3 25.5 410 208 B Q S