==== 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 26-JAN-10 3LJC . COMPND 2 MOLECULE: ATP-DEPENDENT PROTEASE LA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.LI,A.GUSTCHINA,Z.DAUTER,A.WLODAWER . 239 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 14.2 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 . 1 0.4 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 . 20 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 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 . 0 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 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 E 0 0 160 0, 0.0 2,-0.5 0, 0.0 107,-0.1 0.000 360.0 360.0 360.0 132.6 -24.3 60.4 17.7 2 8 A R + 0 0 192 105,-0.1 2,-0.4 106,-0.1 107,-0.1 -0.771 360.0 178.1 -93.7 126.0 -24.8 63.1 15.1 3 9 A I - 0 0 41 -2,-0.5 2,-0.5 2,-0.1 105,-0.4 -0.992 17.8-157.7-132.2 137.9 -23.5 62.5 11.5 4 10 A E + 0 0 110 -2,-0.4 103,-0.2 103,-0.1 -2,-0.0 -0.612 39.0 134.3-118.8 68.9 -23.7 64.8 8.5 5 11 A I - 0 0 14 -2,-0.5 101,-1.3 101,-0.5 2,-0.1 -0.565 52.8 -85.3-115.4 176.7 -23.4 62.7 5.3 6 12 A P E -A 105 0A 25 0, 0.0 39,-1.5 0, 0.0 2,-0.5 -0.450 34.0-131.5 -85.8 158.8 -25.1 62.4 1.8 7 13 A V E -Ab 104 45A 8 97,-2.2 97,-0.5 37,-0.1 39,-0.2 -0.915 11.5-165.6-115.3 126.5 -28.2 60.3 0.9 8 14 A L E - b 0 46A 15 37,-2.8 39,-1.2 -2,-0.5 2,-0.1 -0.955 22.7-137.1-105.7 116.4 -28.7 58.0 -2.0 9 15 A P E - b 0 47A 5 0, 0.0 2,-0.5 0, 0.0 39,-0.3 -0.439 8.8-147.4 -68.7 146.0 -32.3 57.0 -2.6 10 16 A L E - b 0 48A 6 37,-1.5 39,-1.6 3,-0.2 13,-0.0 -0.985 4.9-147.5-116.6 123.0 -33.1 53.4 -3.3 11 17 A R S S- 0 0 85 -2,-0.5 -1,-0.1 1,-0.2 43,-0.1 0.927 86.3 -12.0 -57.0 -52.3 -36.1 52.8 -5.7 12 18 A D S S+ 0 0 105 36,-0.1 2,-0.3 41,-0.0 -1,-0.2 0.055 111.5 91.6-144.8 28.0 -37.3 49.6 -4.2 13 19 A V - 0 0 50 34,-0.1 2,-0.4 2,-0.0 -3,-0.2 -0.906 48.0-156.6-125.1 158.2 -34.7 48.1 -1.8 14 20 A V - 0 0 6 -2,-0.3 2,-0.7 151,-0.1 33,-0.1 -0.992 15.9-151.7-127.4 123.5 -33.9 48.2 1.8 15 21 A V - 0 0 1 -2,-0.4 31,-0.1 31,-0.2 3,-0.1 -0.843 13.6-154.2-100.3 113.9 -30.3 47.5 2.8 16 22 A Y > - 0 0 0 -2,-0.7 3,-1.6 145,-0.1 72,-0.6 -0.559 32.6 -85.0 -85.4 147.1 -29.8 45.9 6.2 17 23 A P B 3 S+c 88 0A 7 0, 0.0 72,-0.3 0, 0.0 -1,-0.1 -0.212 119.1 18.1 -38.5 135.1 -26.8 46.1 8.4 18 24 A H T 3 S+ 0 0 75 70,-3.2 2,-0.4 1,-0.2 71,-0.1 0.733 97.9 126.7 63.6 27.5 -24.4 43.3 7.4 19 25 A X < - 0 0 36 -3,-1.6 69,-1.9 69,-0.1 2,-0.5 -0.965 47.4-152.6-114.9 131.8 -26.2 42.8 4.0 20 26 A V E +D 87 0A 83 -2,-0.4 67,-0.2 67,-0.2 65,-0.1 -0.910 24.4 160.3-108.8 127.2 -24.1 42.9 0.8 21 27 A I E -D 86 0A 38 65,-2.1 65,-2.1 -2,-0.5 2,-0.6 -1.000 38.8-122.3-148.1 140.4 -25.8 44.0 -2.4 22 28 A P E -D 85 0A 49 0, 0.0 2,-0.4 0, 0.0 63,-0.3 -0.760 27.2-161.7 -79.1 121.1 -25.0 45.3 -6.0 23 29 A L E -D 84 0A 17 61,-3.0 61,-3.0 -2,-0.6 2,-0.7 -0.895 6.3-149.3 -99.8 136.1 -26.6 48.7 -6.7 24 30 A F E -D 83 0A 125 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.912 17.8-175.2-109.7 113.2 -26.9 49.7 -10.3 25 31 A V E +D 82 0A 9 57,-2.1 57,-1.9 -2,-0.7 -2,-0.0 -0.919 20.1 159.9-115.7 129.3 -26.8 53.5 -10.8 26 32 A G + 0 0 62 -2,-0.4 2,-0.3 55,-0.2 -1,-0.1 0.096 37.1 116.3-133.9 24.2 -27.2 55.3 -14.1 27 33 A R >> - 0 0 56 1,-0.1 4,-1.2 0, 0.0 3,-1.0 -0.751 62.1-138.3-101.7 143.6 -28.2 58.9 -13.2 28 34 A E T 34 S+ 0 0 151 -2,-0.3 4,-0.2 1,-0.2 -1,-0.1 0.581 107.5 54.6 -66.5 -11.5 -26.2 62.1 -13.9 29 35 A K T 34 S+ 0 0 89 73,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.522 109.4 41.4-103.3 -10.1 -27.1 63.1 -10.4 30 36 A S T X> S+ 0 0 15 -3,-1.0 3,-2.1 2,-0.1 4,-2.1 0.872 102.0 56.8-100.9 -59.2 -25.9 60.1 -8.4 31 37 A I H 3X S+ 0 0 30 -4,-1.2 4,-1.3 1,-0.3 5,-0.2 0.800 101.1 60.2 -48.0 -41.3 -22.5 58.9 -9.6 32 38 A R H 3> S+ 0 0 156 1,-0.2 4,-1.1 -4,-0.2 -1,-0.3 0.799 113.3 37.8 -60.9 -29.8 -20.9 62.3 -9.1 33 39 A C H <> S+ 0 0 19 -3,-2.1 4,-1.9 2,-0.2 5,-0.2 0.749 108.2 62.7 -90.7 -29.9 -21.7 62.1 -5.4 34 40 A L H X S+ 0 0 6 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.692 109.9 43.9 -62.0 -21.8 -21.0 58.4 -5.2 35 41 A E H X S+ 0 0 95 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.844 110.2 51.7 -88.2 -45.4 -17.4 59.4 -6.1 36 42 A A H < S+ 0 0 64 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.734 115.8 43.5 -65.5 -24.2 -17.2 62.4 -3.7 37 43 A A H ><>S+ 0 0 5 -4,-1.9 3,-1.9 2,-0.1 5,-0.9 0.768 103.4 66.5 -87.0 -32.6 -18.3 60.0 -0.9 38 44 A X H 3X5S+ 0 0 44 -4,-0.5 4,-0.6 1,-0.3 -2,-0.2 0.919 107.4 40.2 -47.2 -49.7 -16.0 57.3 -2.2 39 45 A D T 3<5S+ 0 0 131 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.000 103.4 77.5 -93.1 28.2 -13.0 59.5 -1.2 40 46 A H T X45S- 0 0 121 -3,-1.9 3,-0.7 -5,-0.1 -1,-0.2 -0.491 131.0 -60.5-134.6 60.8 -14.7 60.6 2.0 41 47 A D T 345S- 0 0 124 1,-0.2 -2,-0.1 -3,-0.2 -3,-0.1 0.618 76.8 -97.7 68.6 15.4 -14.3 57.6 4.3 42 48 A K T 3< - 0 0 46 4,-0.3 3,-4.1 1,-0.1 4,-0.3 -0.861 26.6 -98.8-124.7 156.2 -20.3 49.0 -17.4 78 84 A P T 3 S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.734 124.7 47.4 -39.8 -34.8 -20.6 48.6 -21.2 79 85 A D T 3 S- 0 0 122 2,-0.2 3,-0.1 1,-0.0 -3,-0.0 0.292 125.2 -99.4 -94.5 10.1 -23.8 50.7 -21.1 80 86 A G S < S+ 0 0 61 -3,-4.1 2,-0.4 1,-0.3 -4,-0.1 0.639 81.6 131.2 85.5 17.5 -22.3 53.5 -18.9 81 87 A T - 0 0 21 -4,-0.3 2,-0.7 -6,-0.0 -4,-0.3 -0.880 53.6-131.3-110.2 132.0 -23.8 52.3 -15.7 82 88 A V E -D 25 0A 9 -57,-1.9 -57,-2.1 -2,-0.4 2,-0.9 -0.719 8.6-153.6 -86.7 114.0 -21.9 51.8 -12.4 83 89 A K E -DG 24 75A 67 -8,-2.3 -8,-0.6 -2,-0.7 2,-0.6 -0.781 20.6-173.1 -77.4 105.4 -22.3 48.5 -10.6 84 90 A V E -D 23 0A 1 -61,-3.0 -61,-3.0 -2,-0.9 2,-0.3 -0.919 11.4-152.1-109.9 114.6 -21.5 49.5 -7.0 85 91 A L E -D 22 0A 38 -2,-0.6 -13,-2.4 -12,-0.4 -12,-1.2 -0.663 22.0-177.9 -82.8 135.4 -21.3 46.8 -4.4 86 92 A V E -DF 21 71A 4 -65,-2.1 -65,-2.1 -2,-0.3 2,-0.4 -0.933 24.5-152.4-136.1 157.0 -22.2 47.8 -0.8 87 93 A E E -DF 20 70A 56 -17,-2.2 -17,-1.7 -2,-0.3 -67,-0.2 -0.999 26.3-127.2-125.8 132.2 -22.4 46.4 2.7 88 94 A G E +cF 17 69A 0 -69,-1.9 -70,-3.2 -72,-0.6 -19,-0.3 -0.542 25.5 179.3 -77.2 141.7 -24.8 47.9 5.3 89 95 A L E - 0 0 64 -21,-3.5 2,-0.3 1,-0.3 -20,-0.2 0.826 53.7 -23.7-106.2 -68.5 -23.4 49.1 8.6 90 96 A Q E - F 0 68A 75 -22,-1.0 -22,-2.7 -73,-0.1 -1,-0.3 -0.997 59.6-106.4-151.2 149.0 -26.0 50.6 11.0 91 97 A R E - F 0 67A 9 -2,-0.3 20,-1.2 -24,-0.2 2,-0.3 -0.441 35.1-179.1 -78.7 149.6 -29.4 52.3 10.8 92 98 A A E - F 0 66A 7 -26,-2.1 -26,-2.5 18,-0.2 2,-0.3 -0.995 22.1-121.3-148.9 147.2 -29.8 56.0 11.5 93 99 A R E - F 0 65A 111 -2,-0.3 2,-0.6 -28,-0.2 -28,-0.2 -0.642 23.9-119.5 -92.7 144.7 -32.7 58.5 11.6 94 100 A I - 0 0 20 -30,-3.1 14,-0.4 -2,-0.3 3,-0.1 -0.749 24.2-179.8 -79.9 117.5 -33.2 61.7 9.4 95 101 A S S S- 0 0 77 12,-2.7 2,-0.3 -2,-0.6 13,-0.2 0.923 78.4 -33.8 -73.9 -56.3 -33.3 64.9 11.5 96 102 A A E -H 107 0A 63 11,-1.1 11,-1.4 -3,-0.1 -1,-0.4 -0.884 63.8-150.5-161.2 140.3 -33.7 66.8 8.3 97 103 A L E -H 106 0A 40 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.575 9.2-150.0-104.0 173.7 -32.3 66.3 4.8 98 104 A S E -H 105 0A 42 7,-2.5 7,-2.9 -2,-0.2 2,-1.7 -0.955 18.0-134.7-151.8 125.6 -31.5 68.8 2.1 99 105 A D E -H 104 0A 75 -2,-0.3 2,-1.8 5,-0.2 5,-0.2 -0.627 28.1-172.7 -78.8 86.0 -31.5 68.8 -1.7 100 106 A N E > -H 103 0A 87 -2,-1.7 2,-1.6 3,-0.8 3,-0.6 -0.534 63.1 -64.7 -83.5 72.7 -28.1 70.5 -2.2 101 107 A G T 3 S- 0 0 49 -2,-1.8 -1,-0.1 1,-0.3 -2,-0.1 -0.559 119.3 -11.5 87.1 -75.0 -28.2 70.9 -5.9 102 108 A E T 3 S+ 0 0 84 -2,-1.6 -1,-0.3 -73,-0.0 -73,-0.1 0.667 127.2 48.0-122.9 -56.7 -28.2 67.3 -7.1 103 109 A H E < S- H 0 100A 62 -3,-0.6 -3,-0.8 -4,-0.1 2,-0.5 -0.076 84.0-104.0 -81.9-175.7 -27.4 65.0 -4.1 104 110 A F E -AH 7 99A 11 -97,-0.5 -97,-2.2 -5,-0.2 2,-0.3 -0.959 20.2-158.7-124.0 120.8 -28.8 65.0 -0.6 105 111 A S E +AH 6 98A 36 -7,-2.9 -7,-2.5 -2,-0.5 2,-0.3 -0.752 26.8 169.2 -90.1 144.0 -27.2 66.3 2.6 106 112 A A E - H 0 97A 4 -101,-1.3 -101,-0.5 -2,-0.3 2,-0.3 -0.999 20.7-123.9-157.1 154.0 -28.6 65.0 5.9 107 113 A K E - H 0 96A 96 -11,-1.4 -12,-2.7 -2,-0.3 -11,-1.1 -0.864 34.6 -23.7-129.2 161.9 -28.3 64.6 9.6 108 114 A A + 0 0 5 -14,-0.4 2,-0.2 -105,-0.4 -1,-0.1 0.003 43.4 71.8 177.5 110.0 -28.1 62.6 12.0 109 115 A E - 0 0 64 -106,-0.1 2,-0.2 -107,-0.1 -17,-0.1 -0.761 27.3-134.0-160.8-160.1 -28.4 59.5 14.2 110 116 A Y - 0 0 107 -2,-0.2 2,-0.5 -108,-0.0 -18,-0.2 -0.854 25.4-112.1-176.7 138.4 -27.4 56.0 15.1 111 117 A L + 0 0 45 -20,-1.2 -19,-0.0 -2,-0.2 -2,-0.0 -0.713 53.8 133.1 -81.8 125.5 -29.0 52.6 16.1 112 118 A E + 0 0 87 -2,-0.5 69,-0.1 1,-0.1 -1,-0.0 -0.334 22.3 113.7-172.3 82.3 -28.4 51.6 19.7 113 119 A S + 0 0 54 68,-0.2 70,-0.4 2,-0.0 -1,-0.1 -0.650 28.7 171.0-159.7 99.5 -31.3 50.3 21.8 114 120 A P - 0 0 120 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.145 25.3-112.7 -87.2-154.5 -31.8 46.7 23.2 115 121 A T - 0 0 55 67,-0.0 2,-0.2 69,-0.0 6,-0.0 -0.919 17.7-107.4-143.1 162.2 -34.3 45.2 25.7 116 122 A I S S+ 0 0 161 -2,-0.3 5,-0.1 1,-0.1 4,-0.0 -0.497 84.0 53.6 -88.9 165.4 -34.5 43.7 29.2 117 123 A D > - 0 0 85 -2,-0.2 4,-1.3 3,-0.1 -1,-0.1 0.968 51.0-173.3 66.7 89.8 -35.1 39.9 29.9 118 124 A E H > S+ 0 0 133 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.478 79.5 68.7 -89.4 -5.5 -32.5 37.9 27.9 119 125 A R H > S+ 0 0 182 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.930 102.4 43.7 -73.1 -50.9 -34.3 34.6 28.9 120 126 A E H > S+ 0 0 112 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.944 114.7 50.6 -54.2 -50.0 -37.3 35.5 26.7 121 127 A Q H X S+ 0 0 29 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.794 105.1 56.9 -64.0 -27.9 -34.9 36.6 24.0 122 128 A E H X S+ 0 0 91 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.964 113.3 40.1 -62.7 -51.9 -32.9 33.4 24.2 123 129 A V H X S+ 0 0 82 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.947 114.0 53.0 -57.6 -52.5 -36.1 31.4 23.6 124 130 A L H X S+ 0 0 15 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.856 109.4 49.7 -58.2 -38.7 -37.4 33.8 20.9 125 131 A V H X S+ 0 0 31 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.966 111.5 48.0 -61.9 -53.9 -34.0 33.5 19.1 126 132 A R H X S+ 0 0 149 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.899 112.2 49.5 -53.5 -44.3 -34.2 29.7 19.2 127 133 A T H X S+ 0 0 62 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.940 110.9 51.0 -61.5 -46.4 -37.7 29.8 17.9 128 134 A A H >X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.2 3,-0.6 0.955 110.1 46.4 -58.4 -55.5 -36.7 32.2 15.1 129 135 A I H 3X S+ 0 0 36 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.906 114.7 50.6 -51.7 -40.9 -33.7 30.0 13.8 130 136 A S H 3X S+ 0 0 72 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.791 109.9 47.9 -69.9 -32.5 -36.0 27.0 13.9 131 137 A Q H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.3 3,-0.9 0.905 99.0 51.3 -76.1 -45.2 -38.9 28.2 6.0 136 142 A I H 3X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 6,-0.2 0.862 102.7 64.0 -59.9 -35.2 -36.0 27.6 3.6 137 143 A K H 3< S+ 0 0 118 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.810 111.7 35.0 -55.4 -34.6 -37.4 24.1 3.1 138 144 A L H << S+ 0 0 39 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.683 123.2 45.1 -93.7 -21.5 -40.5 25.6 1.6 139 145 A N H < + 0 0 24 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.951 69.8 174.5 -85.2 -60.8 -38.7 28.6 -0.1 140 146 A K < + 0 0 149 -4,-2.5 -4,-0.1 2,-0.2 -3,-0.1 0.359 58.9 90.6 71.5 -5.0 -35.8 26.7 -1.7 141 147 A K S S+ 0 0 182 2,-0.1 -1,-0.1 -5,-0.1 -5,-0.1 0.631 75.3 83.1 -81.4 -20.9 -34.5 29.8 -3.6 142 148 A I S S- 0 0 11 -6,-0.2 -2,-0.2 1,-0.1 -3,-0.1 -0.753 98.1-103.8 -93.8 128.0 -32.4 30.4 -0.4 143 149 A P >> - 0 0 68 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.276 25.5-140.5 -49.0 115.8 -29.0 28.6 0.0 144 150 A P H 3> S+ 0 0 84 0, 0.0 4,-0.5 0, 0.0 -7,-0.1 0.535 97.0 57.2 -59.3 -2.8 -29.8 25.8 2.6 145 151 A E H 3> S+ 0 0 146 2,-0.2 4,-2.4 1,-0.1 5,-0.1 0.610 86.4 66.3-110.9 -18.9 -26.4 26.6 4.1 146 152 A V H <> S+ 0 0 49 -3,-1.4 4,-1.0 2,-0.2 -1,-0.1 0.662 98.2 63.3 -76.2 -16.9 -26.5 30.3 5.0 147 153 A L H < S+ 0 0 12 -4,-0.7 3,-0.4 2,-0.2 -2,-0.2 0.987 112.7 31.1 -54.3 -67.0 -29.1 29.1 7.5 148 154 A T H >X S+ 0 0 74 -4,-0.5 4,-0.7 1,-0.2 3,-0.7 0.791 112.8 63.9 -69.5 -31.4 -26.5 26.9 9.3 149 155 A S H 3< S+ 0 0 60 -4,-2.4 4,-0.4 1,-0.3 -1,-0.2 0.852 116.6 30.5 -62.3 -35.8 -23.6 29.3 8.6 150 156 A L T 3< S+ 0 0 42 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.201 94.3 94.0-109.2 13.0 -25.2 32.0 10.6 151 157 A N T <4 S+ 0 0 64 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.2 0.817 91.0 48.3 -62.7 -33.9 -26.9 29.4 12.9 152 158 A S S < S+ 0 0 95 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.1 0.948 83.6 108.4 -69.7 -53.8 -23.8 30.0 15.0 153 159 A I - 0 0 58 -4,-0.4 -3,-0.0 1,-0.1 6,-0.0 0.107 55.9-154.2 -39.0 127.6 -23.8 33.9 15.0 154 160 A D + 0 0 147 4,-0.0 -1,-0.1 5,-0.0 5,-0.1 0.942 59.7 104.1 -68.7 -50.0 -24.8 35.3 18.5 155 161 A D > - 0 0 67 1,-0.1 4,-2.0 3,-0.1 5,-0.1 -0.096 47.7-168.6 -54.2 108.2 -26.2 38.7 17.4 156 162 A P H > S+ 0 0 17 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.917 90.9 53.3 -61.1 -46.2 -30.0 38.8 17.6 157 163 A A H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.920 113.2 44.9 -51.7 -43.9 -30.2 42.1 15.7 158 164 A R H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.802 109.2 56.1 -71.8 -31.0 -28.0 40.5 13.0 159 165 A L H X S+ 0 0 18 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 109.6 46.0 -64.8 -45.4 -30.1 37.4 13.1 160 166 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.833 113.1 48.4 -67.2 -36.5 -33.2 39.5 12.4 161 167 A D H X S+ 0 0 5 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.871 109.6 52.8 -74.7 -35.6 -31.6 41.5 9.6 162 168 A T H X S+ 0 0 17 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.909 112.5 45.5 -62.2 -41.7 -30.2 38.3 8.0 163 169 A I H < S+ 0 0 3 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.920 113.1 49.3 -68.6 -43.0 -33.8 36.9 8.0 164 170 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 5,-0.4 0.941 110.0 51.7 -57.9 -49.0 -35.3 40.1 6.7 165 171 A A H 3< S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 108.7 50.8 -58.9 -36.8 -32.7 40.3 3.9 166 172 A H T 3< S+ 0 0 73 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.220 98.4 82.9 -90.9 13.2 -33.4 36.7 2.7 167 173 A X S < S- 0 0 7 -3,-1.6 2,-2.1 -4,-0.1 27,-0.0 -0.927 82.2-120.7-124.8 151.4 -37.1 37.1 2.5 168 174 A P + 0 0 85 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.278 50.9 166.4 -85.2 53.8 -39.3 38.5 -0.3 169 175 A L - 0 0 22 -2,-2.1 2,-0.1 -5,-0.4 -2,-0.0 -0.351 40.3-112.0 -65.2 145.2 -40.9 41.2 1.9 170 176 A K >> - 0 0 125 1,-0.1 4,-2.6 -2,-0.1 3,-0.6 -0.457 36.6-105.6 -66.4 149.8 -42.9 44.0 0.4 171 177 A L H 3> S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.901 118.1 58.2 -41.8 -58.6 -41.2 47.4 0.8 172 178 A A H 3> S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 112.5 40.5 -44.9 -47.4 -43.5 48.6 3.6 173 179 A D H <> S+ 0 0 38 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.909 111.0 58.4 -68.9 -43.8 -42.5 45.6 5.8 174 180 A K H X S+ 0 0 29 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.906 113.7 38.5 -46.5 -48.9 -38.8 45.9 4.7 175 181 A Q H X S+ 0 0 4 -4,-2.7 4,-3.3 2,-0.2 -1,-0.2 0.831 111.2 56.1 -77.9 -34.6 -38.8 49.5 6.1 176 182 A S H X S+ 0 0 31 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.854 107.1 51.3 -69.1 -31.4 -40.9 48.8 9.1 177 183 A V H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.911 112.3 46.4 -67.1 -39.8 -38.4 46.1 10.1 178 184 A L H < S+ 0 0 3 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.921 112.3 51.4 -62.6 -45.9 -35.6 48.8 9.6 179 185 A E H < S+ 0 0 72 -4,-3.3 2,-0.5 -114,-0.1 -1,-0.2 0.703 88.2 95.0 -67.1 -24.2 -37.6 51.3 11.6 180 186 A X < - 0 0 26 -4,-1.3 6,-0.1 1,-0.2 -4,-0.0 -0.601 49.1-177.6 -73.7 120.3 -38.1 48.9 14.6 181 187 A S + 0 0 61 -2,-0.5 2,-0.9 1,-0.1 -68,-0.2 0.827 61.9 85.6 -84.9 -33.8 -35.5 49.5 17.2 182 188 A D >> - 0 0 51 1,-0.2 4,-1.3 2,-0.1 3,-1.0 -0.605 66.2-158.2 -76.4 106.6 -36.6 46.7 19.6 183 189 A V H 3> S+ 0 0 16 -2,-0.9 4,-1.7 -70,-0.4 -1,-0.2 0.733 91.3 55.9 -56.4 -32.1 -34.9 43.5 18.3 184 190 A N H 3> S+ 0 0 13 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.864 106.2 51.0 -64.5 -38.8 -37.5 41.3 20.0 185 191 A E H <> S+ 0 0 104 -3,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.778 110.7 47.0 -74.2 -27.4 -40.3 43.1 18.1 186 192 A R H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.870 109.8 53.5 -88.0 -30.0 -38.7 42.7 14.8 187 193 A L H X S+ 0 0 1 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.817 112.2 45.3 -63.5 -33.1 -38.0 39.0 15.4 188 194 A E H X S+ 0 0 101 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.876 112.1 51.3 -83.5 -33.7 -41.6 38.5 16.3 189 195 A Y H >X S+ 0 0 62 -4,-1.8 4,-2.2 2,-0.2 3,-0.8 0.975 111.7 46.5 -61.4 -52.2 -42.8 40.5 13.3 190 196 A L H 3X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.808 108.9 55.5 -60.6 -33.8 -40.5 38.5 10.9 191 197 A X H 3X S+ 0 0 37 -4,-1.3 4,-1.8 2,-0.2 -1,-0.3 0.809 107.9 49.6 -67.8 -29.9 -41.8 35.3 12.5 192 198 A A H X S+ 0 0 79 -4,-2.5 4,-1.8 1,-0.2 3,-1.0 0.958 111.7 49.8 -59.4 -53.5 -49.1 28.9 5.0 200 206 A L H 3X S+ 0 0 75 -4,-2.3 4,-2.6 1,-0.3 3,-0.2 0.897 109.0 52.4 -49.6 -46.6 -49.4 30.5 1.6 201 207 A L H 3X S+ 0 0 27 -4,-3.0 4,-1.2 1,-0.2 -1,-0.3 0.721 108.4 51.8 -69.4 -19.7 -46.7 28.1 0.2 202 208 A Q H