==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-AUG-07 2QXU . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR E.RAJAKUMARA,R.SANKARANARAYANAN . 1432 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1031 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 240 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.1 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 . 0 0.0 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 . 122 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 192 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.0 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 6 0 0 0 0 8 0 9 7 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 8 8 24 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 . 8 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 8 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 3 A H 0 0 117 0, 0.0 29,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.3 68.3 -1.7 6.8 2 4 A N - 0 0 52 169,-0.3 67,-0.2 1,-0.1 31,-0.1 -0.386 360.0 -87.3 -71.9 158.3 69.6 -5.1 5.9 3 5 A P - 0 0 3 0, 0.0 67,-2.4 0, 0.0 2,-0.5 -0.380 48.4-129.1 -63.2 150.3 67.2 -8.0 6.3 4 6 A V E -ab 34 70A 0 29,-2.7 31,-3.6 65,-0.2 2,-0.6 -0.919 16.7-161.4-111.6 128.8 67.4 -9.3 9.9 5 7 A V E -ab 35 71A 0 65,-2.9 67,-1.8 -2,-0.5 2,-0.5 -0.934 10.5-154.4-107.9 118.1 67.9 -13.0 10.7 6 8 A M E -ab 36 72A 0 29,-3.3 31,-2.1 -2,-0.6 2,-0.6 -0.824 5.7-161.2 -98.8 129.0 67.0 -13.9 14.3 7 9 A V E - b 0 73A 0 65,-2.5 67,-2.7 -2,-0.5 70,-0.2 -0.918 5.7-154.1-117.3 110.1 68.7 -17.0 15.7 8 10 A H - 0 0 1 -2,-0.6 3,-0.1 29,-0.4 2,-0.1 -0.168 12.1-130.1 -75.8 168.9 67.2 -18.7 18.8 9 11 A G > - 0 0 3 1,-0.2 3,-2.4 67,-0.2 35,-0.2 -0.194 51.8 -29.7-105.3-162.0 69.1 -20.8 21.4 10 12 A I T 3 S+ 0 0 96 1,-0.3 -1,-0.2 33,-0.2 33,-0.2 -0.257 132.1 2.2 -54.0 130.0 68.7 -24.1 23.0 11 13 A G T 3 S+ 0 0 60 31,-1.8 -1,-0.3 1,-0.2 31,-0.1 0.621 109.9 129.2 65.9 12.1 65.1 -25.2 23.3 12 14 A G < - 0 0 7 -3,-2.4 2,-0.3 30,-0.2 -1,-0.2 -0.159 40.1-162.9 -89.9-174.2 64.2 -22.0 21.5 13 15 A A > - 0 0 12 -3,-0.1 3,-2.4 25,-0.1 4,-0.3 -0.977 39.8 -95.0-163.3 161.4 62.0 -21.3 18.5 14 16 A S G > S+ 0 0 34 -2,-0.3 3,-1.6 1,-0.3 24,-0.1 0.810 117.8 66.3 -53.8 -31.6 61.4 -18.5 16.0 15 17 A F G > S+ 0 0 146 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.628 78.4 82.1 -68.0 -11.9 58.5 -17.2 18.1 16 18 A N G < S+ 0 0 23 -3,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.806 89.3 56.0 -60.5 -27.2 61.0 -16.3 20.8 17 19 A F G <> + 0 0 0 -3,-1.6 4,-2.7 -4,-0.3 -1,-0.3 0.304 69.8 109.7 -91.4 11.3 61.5 -13.1 18.8 18 20 A A H <> S+ 0 0 54 -3,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.891 82.8 45.4 -51.1 -46.7 57.9 -11.9 18.6 19 21 A G H > S+ 0 0 24 -3,-0.4 4,-2.1 -4,-0.2 -1,-0.2 0.886 112.8 48.2 -67.0 -41.8 58.7 -9.0 20.9 20 22 A I H > S+ 0 0 0 -4,-0.2 4,-2.7 138,-0.2 -1,-0.2 0.860 110.6 53.4 -67.7 -35.6 61.9 -7.9 19.2 21 23 A K H X S+ 0 0 57 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.965 109.4 47.0 -63.0 -51.9 60.1 -8.1 15.8 22 24 A S H X S+ 0 0 57 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.888 113.2 51.1 -56.8 -40.3 57.3 -5.8 17.0 23 25 A Y H X S+ 0 0 38 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.952 109.2 47.6 -63.2 -52.0 59.9 -3.4 18.5 24 26 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.7 0.901 109.8 53.7 -59.0 -40.2 62.0 -3.2 15.3 25 27 A V H ><5S+ 0 0 43 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.922 105.5 53.7 -59.5 -42.7 58.9 -2.5 13.2 26 28 A S H 3<5S+ 0 0 94 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.741 108.6 52.2 -62.9 -22.5 57.9 0.3 15.6 27 29 A Q T <<5S- 0 0 72 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.334 132.0 -85.3 -96.7 4.9 61.4 1.7 14.9 28 30 A G T < 5S+ 0 0 59 -3,-1.8 -3,-0.2 1,-0.4 2,-0.2 0.385 82.8 132.0 111.8 -7.5 61.2 1.7 11.1 29 31 A W < - 0 0 10 -5,-2.4 -1,-0.4 -6,-0.1 2,-0.4 -0.564 62.6-110.9 -78.0 145.2 62.2 -1.9 10.1 30 32 A S > - 0 0 56 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.625 14.2-141.2 -77.4 130.1 60.0 -3.6 7.6 31 33 A R G > S+ 0 0 130 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.777 102.5 59.7 -62.1 -23.7 58.1 -6.5 9.1 32 34 A D G 3 S+ 0 0 130 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.479 100.7 54.0 -84.3 -1.1 58.6 -8.3 5.9 33 35 A K G < S+ 0 0 99 -3,-2.0 -29,-2.7 -31,-0.1 2,-0.5 0.034 86.7 94.8-118.1 24.1 62.4 -8.1 6.2 34 36 A L E < +a 4 0A 8 -3,-0.9 2,-0.3 -31,-0.2 -29,-0.2 -0.974 54.0 179.1-117.5 117.4 62.6 -9.7 9.7 35 37 A Y E -a 5 0A 43 -31,-3.6 -29,-3.3 -2,-0.5 2,-0.4 -0.908 16.3-164.4-122.7 150.3 63.2 -13.4 9.7 36 38 A A E -a 6 0A 15 -2,-0.3 -29,-0.2 -31,-0.2 -22,-0.1 -0.994 16.0-142.4-134.6 125.1 63.6 -16.0 12.4 37 39 A V - 0 0 3 -31,-2.1 2,-0.4 -2,-0.4 -29,-0.4 -0.409 4.9-145.6 -82.9 161.1 65.1 -19.4 11.8 38 40 A D - 0 0 84 -25,-0.1 2,-0.3 -2,-0.1 -25,-0.1 -0.958 11.8-153.6-130.7 111.9 63.9 -22.6 13.5 39 41 A F - 0 0 3 -2,-0.4 10,-0.1 1,-0.1 -25,-0.0 -0.672 10.6-153.6 -86.9 138.6 66.5 -25.3 14.3 40 42 A W S S+ 0 0 170 -2,-0.3 2,-1.3 1,-0.2 -1,-0.1 0.774 85.3 75.9 -78.9 -26.4 65.4 -28.9 14.5 41 43 A D > - 0 0 13 1,-0.2 3,-2.0 4,-0.1 -1,-0.2 -0.711 62.9-175.9 -87.0 93.8 68.3 -29.6 16.9 42 44 A K T 3 S+ 0 0 84 -2,-1.3 -31,-1.8 1,-0.3 -30,-0.2 0.558 78.6 68.7 -69.3 -6.0 67.0 -28.1 20.1 43 45 A T T 3 S- 0 0 86 -33,-0.2 -1,-0.3 -32,-0.1 -33,-0.2 0.512 102.2-136.5 -86.8 -4.9 70.3 -28.9 21.8 44 46 A G < + 0 0 2 -3,-2.0 -2,-0.1 -35,-0.2 -34,-0.1 0.712 33.4 176.5 59.8 31.1 71.8 -26.2 19.5 45 47 A T > - 0 0 57 1,-0.1 4,-2.6 4,-0.0 5,-0.3 -0.328 34.9-133.1 -65.1 145.2 75.0 -27.9 18.4 46 48 A N H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.883 104.0 65.7 -64.4 -36.8 77.1 -26.0 15.9 47 49 A Y H 4 S+ 0 0 183 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.895 115.8 25.1 -51.6 -46.7 77.4 -29.2 13.8 48 50 A N H > S+ 0 0 46 -3,-0.2 4,-1.0 2,-0.1 -2,-0.2 0.891 127.2 44.4 -87.1 -43.6 73.7 -29.3 13.1 49 51 A N H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.792 100.6 67.1 -75.0 -29.8 72.7 -25.6 13.4 50 52 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.968 105.1 41.3 -56.1 -58.0 75.6 -24.1 11.4 51 53 A P H > S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.855 114.3 53.8 -59.4 -35.0 74.6 -25.5 8.0 52 54 A V H X S+ 0 0 23 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.923 110.5 46.2 -65.5 -43.0 70.9 -24.8 8.7 53 55 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.906 109.5 55.2 -64.9 -43.1 71.7 -21.2 9.5 54 56 A S H X S+ 0 0 18 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.935 110.6 44.5 -55.3 -49.7 73.9 -20.9 6.4 55 57 A R H X S+ 0 0 155 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.865 112.4 52.5 -64.0 -37.6 71.0 -22.1 4.1 56 58 A F H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.946 110.6 46.7 -64.2 -48.8 68.5 -19.9 5.8 57 59 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.915 110.9 52.2 -60.1 -43.8 70.6 -16.8 5.4 58 60 A Q H X S+ 0 0 60 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.905 108.4 51.9 -60.2 -40.4 71.3 -17.7 1.7 59 61 A K H X S+ 0 0 85 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.933 109.9 49.3 -59.5 -47.7 67.5 -18.0 1.2 60 62 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 6,-0.4 0.910 110.7 48.9 -59.2 -46.3 67.0 -14.5 2.7 61 63 A L H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 5,-0.4 0.913 114.2 46.1 -61.4 -43.1 69.7 -12.9 0.6 62 64 A D H < S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.901 114.2 46.5 -67.0 -43.1 68.2 -14.5 -2.6 63 65 A E H < S+ 0 0 117 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.662 123.6 33.9 -76.2 -15.5 64.6 -13.6 -1.8 64 66 A T H < S- 0 0 37 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.616 95.9-131.8-110.7 -20.3 65.4 -10.0 -0.9 65 67 A G < + 0 0 62 -4,-2.2 -3,-0.2 1,-0.3 -4,-0.1 0.572 56.9 146.2 78.0 7.7 68.3 -9.3 -3.2 66 68 A A - 0 0 27 -5,-0.4 -1,-0.3 -6,-0.4 -2,-0.1 -0.392 50.8-140.0 -75.9 156.4 70.3 -7.9 -0.3 67 69 A K S S+ 0 0 183 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.840 81.1 5.7 -84.3 -37.9 74.1 -8.3 -0.2 68 70 A K - 0 0 21 -7,-0.1 2,-0.3 26,-0.0 26,-0.2 -0.935 65.1-140.2-141.7 164.0 74.3 -9.0 3.6 69 71 A V E - c 0 94A 0 24,-2.8 26,-2.2 -2,-0.3 2,-0.3 -0.755 15.3-129.7-119.2 167.4 72.0 -9.6 6.5 70 72 A D E -b 4 0A 2 -67,-2.4 -65,-2.9 -2,-0.3 2,-0.4 -0.856 24.6-144.0-112.5 153.5 72.2 -8.5 10.1 71 73 A I E -bc 5 97A 0 25,-2.8 27,-2.8 -2,-0.3 2,-0.5 -0.964 17.9-171.0-127.2 139.6 71.8 -11.1 12.9 72 74 A V E -bc 6 98A 0 -67,-1.8 -65,-2.5 -2,-0.4 2,-0.4 -0.992 23.8-176.6-123.0 114.9 70.2 -10.9 16.4 73 75 A A E -bc 7 99A 0 25,-2.7 27,-3.4 -2,-0.5 2,-0.4 -0.942 15.7-151.3-123.0 141.9 71.1 -14.1 18.2 74 76 A H E > - c 0 100A 7 -67,-2.7 3,-2.7 -2,-0.4 27,-0.2 -0.915 55.9 -48.9-113.4 133.3 70.0 -15.4 21.7 75 77 A S T >> S+ 0 0 11 25,-2.6 3,-2.3 -2,-0.4 28,-1.5 -0.166 133.4 11.4 48.4-121.9 72.1 -17.7 23.9 76 78 A M H 3> S+ 0 0 27 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.732 119.1 73.7 -58.3 -21.2 73.4 -20.7 21.9 77 79 A G H <> S+ 0 0 0 -3,-2.7 4,-2.4 1,-0.2 -1,-0.3 0.827 90.8 58.2 -60.9 -29.9 72.3 -18.9 18.8 78 80 A G H <> S+ 0 0 0 -3,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.922 106.1 47.2 -65.1 -42.7 75.3 -16.6 19.4 79 81 A A H X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.929 112.3 49.6 -63.7 -45.2 77.6 -19.6 19.2 80 82 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.893 110.0 52.1 -60.6 -40.7 75.9 -20.9 16.1 81 83 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.924 110.1 46.5 -61.8 -47.5 76.2 -17.5 14.5 82 84 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.853 111.0 53.4 -65.1 -34.2 80.0 -17.2 15.2 83 85 A Y H X>S+ 0 0 51 -4,-2.1 4,-3.1 2,-0.2 5,-0.8 0.899 107.0 52.3 -65.4 -41.9 80.5 -20.8 13.9 84 86 A Y H X5S+ 0 0 0 -4,-2.1 6,-2.0 1,-0.2 4,-0.9 0.887 114.9 41.3 -61.0 -41.9 78.7 -19.8 10.7 85 87 A I H <5S+ 0 0 12 -4,-1.9 6,-0.5 5,-0.3 -2,-0.2 0.877 120.3 43.9 -74.6 -39.0 81.0 -16.9 10.2 86 88 A K H <5S+ 0 0 115 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.915 131.4 12.4 -75.0 -45.3 84.1 -18.7 11.3 87 89 A N H <5S+ 0 0 88 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.567 122.6 44.3-113.7 -12.0 83.8 -22.1 9.5 88 90 A L S < S+ 0 0 57 1,-0.2 3,-0.7 2,-0.1 -4,-0.2 0.217 95.6 101.0-100.9 17.0 80.2 -19.0 4.4 90 92 A G G >> + 0 0 0 -6,-2.0 3,-1.9 1,-0.2 4,-0.7 0.703 51.5 95.2 -74.6 -18.4 79.0 -16.3 6.7 91 93 A G G 34 S+ 0 0 7 -6,-0.5 24,-2.9 -7,-0.4 25,-0.6 0.679 99.3 24.5 -45.5 -27.7 82.2 -14.2 6.6 92 94 A N G <4 S+ 0 0 79 -3,-0.7 -1,-0.3 22,-0.2 -2,-0.1 0.267 113.8 65.3-124.8 11.8 80.9 -11.9 3.8 93 95 A K T <4 S+ 0 0 38 -3,-1.9 -24,-2.8 -4,-0.1 2,-0.4 0.286 89.5 73.0-115.6 7.3 77.1 -12.2 4.2 94 96 A V E < +c 69 0A 1 -4,-0.7 -24,-0.2 -26,-0.2 3,-0.1 -0.976 41.9 166.6-126.9 137.1 76.8 -10.5 7.6 95 97 A A E + 0 0 2 -26,-2.2 27,-2.5 -2,-0.4 2,-0.5 0.779 69.1 26.1-110.4 -61.3 77.2 -6.9 8.6 96 98 A N E - d 0 122A 18 -27,-0.3 -25,-2.8 25,-0.2 2,-0.4 -0.924 62.6-169.8-113.9 132.5 75.8 -6.3 12.1 97 99 A V E -cd 71 123A 1 25,-3.0 27,-2.0 -2,-0.5 2,-0.5 -0.977 5.0-179.0-122.4 127.0 75.7 -8.9 14.8 98 100 A V E -cd 72 124A 0 -27,-2.8 -25,-2.7 -2,-0.4 2,-0.4 -0.985 8.6-166.9-125.8 119.3 73.9 -8.4 18.1 99 101 A T E -cd 73 125A 3 25,-2.1 27,-2.8 -2,-0.5 2,-0.6 -0.878 7.3-154.9-108.8 141.0 74.0 -11.3 20.6 100 102 A L E S-cd 74 126A 0 -27,-3.4 -25,-2.6 -2,-0.4 27,-0.2 -0.950 80.3 -24.0-117.0 112.0 71.7 -11.5 23.7 101 103 A G S S- 0 0 0 25,-3.0 -1,-0.2 -2,-0.6 26,-0.1 0.886 93.7-168.8 54.4 37.4 73.1 -13.5 26.5 102 104 A G - 0 0 0 24,-0.4 2,-0.7 -29,-0.1 3,-0.3 -0.329 33.7-146.8 -65.5 135.6 75.1 -15.3 23.9 103 105 A A > + 0 0 5 -28,-1.5 3,-1.9 1,-0.2 36,-0.2 -0.294 48.8 152.2 -90.4 47.8 77.0 -18.5 24.8 104 106 A N G >> + 0 0 0 -2,-0.7 3,-2.0 1,-0.3 4,-1.9 0.813 54.1 61.6 -50.5 -45.5 79.5 -17.1 22.3 105 107 A R G 34 S+ 0 0 87 33,-2.4 -1,-0.3 -3,-0.3 4,-0.1 0.468 80.5 83.7 -68.5 2.0 82.7 -18.6 23.6 106 108 A L G <4 S+ 0 0 95 -3,-1.9 -1,-0.3 32,-0.2 -2,-0.2 0.610 113.7 19.5 -76.3 -7.6 81.3 -22.1 23.0 107 109 A T T <4 S- 0 0 23 -3,-2.0 2,-0.3 1,-0.4 -2,-0.2 0.646 138.4 -26.4-120.9 -51.2 82.6 -21.3 19.5 108 110 A T < - 0 0 27 -4,-1.9 -1,-0.4 1,-0.0 -2,-0.2 -0.987 34.5-138.8-164.7 159.1 85.1 -18.5 19.9 109 111 A G S S+ 0 0 11 -2,-0.3 33,-3.4 -4,-0.1 2,-0.4 0.365 79.2 88.8-105.1 4.2 86.1 -15.6 22.1 110 112 A K B S-g 142 0B 128 31,-0.2 2,-1.5 -6,-0.1 33,-0.2 -0.822 79.9-123.5-108.0 142.7 87.0 -13.2 19.2 111 113 A A - 0 0 0 31,-2.2 68,-0.2 -2,-0.4 12,-0.1 -0.670 38.8-139.3 -80.2 92.2 84.7 -10.8 17.3 112 114 A L - 0 0 32 -2,-1.5 9,-0.1 1,-0.1 -26,-0.0 -0.367 7.9-151.5 -59.8 123.2 85.4 -12.3 13.9 113 115 A P - 0 0 41 0, 0.0 8,-1.9 0, 0.0 3,-0.4 0.611 27.8-145.1 -71.7 -15.7 85.7 -9.5 11.3 114 116 A G - 0 0 25 6,-0.2 -22,-0.2 1,-0.2 -23,-0.1 -0.546 33.2 -67.9 85.6-151.3 84.5 -11.6 8.4 115 117 A T S S+ 0 0 93 -24,-2.9 -23,-0.2 -2,-0.2 -1,-0.2 0.367 90.4 109.3-126.7 2.3 85.9 -11.2 4.9 116 118 A D > - 0 0 48 -25,-0.6 3,-1.1 -3,-0.4 5,-0.0 -0.740 47.9-163.5 -85.6 114.2 84.8 -7.8 3.6 117 119 A P T 3 S+ 0 0 119 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.742 89.1 53.3 -67.8 -22.2 87.9 -5.5 3.5 118 120 A N T 3 S+ 0 0 138 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.483 122.1 21.1 -91.3 -2.7 85.7 -2.4 3.3 119 121 A Q < - 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0 0 1 -5,-0.5 182,-0.3 -6,-0.3 2,-0.3 -0.222 62.0-152.3 -83.3 179.8 155.7 80.2 54.7 896 178 E Q B -G 843 0I 13 -53,-2.2 -53,-2.3 180,-0.1 -31,-0.4 -0.968 21.6-166.5-151.4 167.3 155.9 79.8 50.9 897 179 E N + 0 0 0 176,-0.3 -33,-0.2 178,-0.3 -57,-0.1 -0.763 4.9 178.6-158.8 105.7 155.3 77.6 47.9 898 180 E T 0 0 26 -35,-1.4 176,-0.1 -2,-0.2 -35,-0.1 0.285 360.0 360.0 -92.2 9.6 156.7 78.5 44.5 899 181 E N 0 0 92 -68,-0.3 -2,-0.1 -36,-0.2 -59,-0.1 -0.023 360.0 360.0 -87.9 360.0 155.2 75.3 43.0 900 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 901 3 F H 0 0 103 0, 0.0 3,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 154.0 147.0 85.0 35.7 902 4 F N - 0 0 54 169,-0.3 67,-0.2 1,-0.1 31,-0.1 -0.420 360.0 -87.6 -75.2 158.0 145.9 88.4 36.9 903 5 F P - 0 0 0 0, 0.0 67,-2.7 0, 0.0 2,-0.5 -0.357 47.8-130.6 -62.8 152.4 146.8 91.2 34.5 904 6 F V E -jk 934 970K 0 29,-2.6 31,-3.3 65,-0.2 2,-0.6 -0.926 15.8-161.2-113.0 133.1 150.2 92.5 35.3 905 7 F V E -jk 935 971K 0 65,-2.7 67,-1.8 -2,-0.5 2,-0.5 -0.959 10.1-154.1-112.8 117.6 151.0 96.2 35.8 906 8 F M E -jk 936 972K 0 29,-2.9 31,-2.0 -2,-0.6 2,-0.6 -0.821 7.0-159.8 -94.8 127.5 154.7 97.1 35.4 907 9 F V E - k 0 973K 0 65,-2.5 67,-2.8 -2,-0.5 70,-0.2 -0.919 5.6-154.5-113.9 112.3 155.8 100.2 37.3 908 10 F H - 0 0 10 -2,-0.6 3,-0.1 29,-0.4 6,-0.1 -0.255 11.4-129.7 -79.9 168.9 159.0 101.9 36.3 909 11 F G > - 0 0 4 1,-0.2 3,-1.5 67,-0.2 2,-0.4 0.060 54.8 -24.4 -98.0-152.0 161.3 104.1 38.5 910 12 F I T 3 S- 0 0 96 1,-0.3 -1,-0.2 33,-0.2 33,-0.2 -0.462 132.8 -7.6 -64.7 116.9 162.9 107.5 38.3 911 13 F G T 3 S+ 0 0 52 31,-1.1 -1,-0.3 -2,-0.4 32,-0.1 0.473 107.3 134.6 74.8 0.9 163.3 108.6 34.7 912 14 F G < - 0 0 19 -3,-1.5 2,-0.3 30,-0.1 -1,-0.2 -0.035 37.1-159.1 -72.9-178.1 162.2 105.1 33.7 913 15 F A > - 0 0 25 -3,-0.1 3,-2.1 25,-0.1 4,-0.4 -0.976 36.6 -95.7-158.3 164.2 159.7 104.2 30.9 914 16 F S G > S+ 0 0 16 -2,-0.3 3,-1.6 1,-0.3 23,-0.1 0.832 118.3 64.7 -51.7 -37.3 157.4 101.4 29.7 915 17 F F G > S+ 0 0 164 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.680 82.9 75.7 -62.2 -22.0 160.2 100.3 27.3 916 18 F N G < S+ 0 0 44 -3,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.819 93.3 54.2 -60.5 -29.4 162.4 99.4 30.3 917 19 F F G <> S+ 0 0 1 -3,-1.6 4,-2.8 -4,-0.4 -1,-0.3 0.288 72.4 109.8 -89.5 9.9 160.2 96.3 30.7 918 20 F A H <> S+ 0 0 50 -3,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.887 81.8 45.8 -51.5 -44.9 160.6 95.1 27.2 919 21 F G H > S+ 0 0 22 -3,-0.5 4,-2.1 -4,-0.2 -1,-0.2 0.911 113.8 46.0 -67.4 -44.5 162.7 92.1 28.3 920 22 F I H > S+ 0 0 0 138,-0.3 4,-2.6 -4,-0.2 -2,-0.2 0.867 112.7 52.4 -67.4 -34.4 160.5 91.1 31.2 921 23 F K H X S+ 0 0 42 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.951 109.7 47.6 -66.0 -48.2 157.4 91.4 29.0 922 24 F S H X S+ 0 0 60 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.891 112.6 50.9 -59.6 -40.6 158.9 89.1 26.3 923 25 F Y H X S+ 0 0 39 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.954 110.6 46.7 -62.5 -51.8 159.9 86.6 29.0 924 26 F L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-0.4 0.894 110.9 52.4 -59.1 -42.3 156.5 86.5 30.6 925 27 F V H ><5S+ 0 0 44 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.932 108.8 50.5 -59.7 -43.5 154.8 86.1 27.2 926 28 F S H 3<5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.752 110.0 53.3 -66.5 -21.6 157.1 83.2 26.4 927 29 F Q T 3<5S- 0 0 74 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.360 131.9 -80.9 -95.8 3.9 156.1 81.7 29.8 928 30 F G T < 5S+ 0 0 53 -3,-1.4 2,-0.4 1,-0.4 -3,-0.2 0.443 84.9 130.1 116.2 -3.5 152.4 81.7 29.4 929 31 F W < - 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