==== 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 FLUORESCENT PROTEIN, HYDROLASE 17-NOV-09 3KPX . COMPND 2 MOLECULE: APOPHOTOPROTEIN CLYTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: CLYTIA GREGARIA; . AUTHOR M.S.TITUSHIN,Y.LI,G.A.STEPANYUK,B.-C.WANG,J.LEE,E.S.VYSOTSKI . 189 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.2 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 . 1 0.5 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 49.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 5.3 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 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 10 A V 0 0 77 0, 0.0 2,-0.2 0, 0.0 167,-0.1 0.000 360.0 360.0 360.0 134.9 20.0 33.6 42.5 2 11 A K - 0 0 64 1,-0.1 175,-0.1 2,-0.1 173,-0.1 -0.618 360.0-164.1 -88.7 148.0 21.6 34.1 46.0 3 12 A L + 0 0 88 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.613 58.2 93.6-109.7 -13.9 24.6 32.1 46.9 4 13 A K - 0 0 174 1,-0.1 2,-0.1 171,-0.0 -2,-0.1 -0.625 67.0-137.7 -83.2 136.9 24.8 32.5 50.7 5 14 A T - 0 0 53 -2,-0.3 170,-0.2 1,-0.0 3,-0.1 -0.355 9.4-154.6 -86.7 171.8 23.2 29.8 52.8 6 15 A N > + 0 0 47 168,-0.5 3,-1.5 -2,-0.1 6,-0.3 -0.381 31.3 154.6-143.2 57.7 21.1 30.3 55.9 7 16 A F T 3 S+ 0 0 33 1,-0.3 6,-0.1 5,-0.1 -1,-0.1 0.660 71.0 56.3 -63.7 -21.8 21.6 26.9 57.7 8 17 A E T 3 S+ 0 0 144 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.548 78.3 105.4 -90.8 -8.0 20.8 28.4 61.1 9 18 A D X> - 0 0 49 -3,-1.5 4,-1.9 1,-0.2 3,-1.5 -0.629 67.6-145.1 -75.0 120.2 17.4 29.8 60.2 10 19 A P H 3> S+ 0 0 84 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.762 99.6 65.9 -59.8 -23.4 14.8 27.5 61.8 11 20 A K H 3> S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.874 103.4 44.4 -64.8 -38.5 12.7 28.1 58.8 12 21 A W H <> S+ 0 0 0 -3,-1.5 4,-1.9 -6,-0.3 5,-0.2 0.941 115.2 47.0 -71.3 -46.5 15.3 26.3 56.6 13 22 A V H X S+ 0 0 44 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.935 114.7 48.2 -58.0 -43.3 15.7 23.4 59.1 14 23 A N H X S+ 0 0 97 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.794 103.8 59.1 -71.1 -29.2 11.9 23.2 59.4 15 24 A R H X S+ 0 0 2 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.946 112.1 41.8 -63.7 -46.2 11.4 23.2 55.6 16 25 A H H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.827 111.8 53.7 -68.0 -33.6 13.5 20.1 55.5 17 26 A K H X S+ 0 0 79 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.902 107.5 52.3 -64.1 -42.3 11.9 18.6 58.6 18 27 A F H X S+ 0 0 67 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.943 113.2 43.9 -55.3 -49.9 8.5 19.0 56.9 19 28 A M H X S+ 0 0 20 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.881 110.6 54.8 -66.3 -38.5 9.9 17.2 53.8 20 29 A F H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.940 108.6 48.8 -56.6 -46.1 11.5 14.5 56.0 21 30 A N H < S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 108.9 53.8 -64.3 -31.2 8.1 13.9 57.7 22 31 A F H < S+ 0 0 52 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.4 41.9 -69.4 -39.4 6.6 13.7 54.2 23 32 A L H < S+ 0 0 32 -4,-2.1 2,-2.5 1,-0.2 3,-0.3 0.790 97.8 77.9 -75.3 -30.8 9.1 11.0 53.2 24 33 A D >< + 0 0 17 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 -0.345 57.4 157.3 -78.9 61.4 8.8 9.2 56.5 25 34 A I T 3 + 0 0 161 -2,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.812 68.6 52.6 -64.1 -30.4 5.6 7.6 55.5 26 35 A N T 3 S- 0 0 89 -3,-0.3 -1,-0.3 4,-0.2 -2,-0.1 0.447 105.9-129.5 -86.6 1.5 5.8 4.7 57.9 27 36 A G < + 0 0 61 -3,-1.9 -2,-0.1 -6,-0.2 -3,-0.1 0.715 69.2 125.1 67.2 25.4 6.4 7.1 60.8 28 37 A N S S- 0 0 62 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.366 78.1-115.0-102.2 7.9 9.5 5.6 62.3 29 38 A G S S+ 0 0 30 1,-0.2 50,-0.6 -5,-0.2 2,-0.3 0.583 84.4 98.4 74.7 11.4 11.7 8.7 62.1 30 39 A K E -A 78 0A 46 48,-0.2 2,-0.4 49,-0.1 -2,-0.3 -0.935 52.7-161.5-131.1 151.6 14.1 7.1 59.6 31 40 A I E -A 77 0A 1 46,-1.8 46,-2.6 -2,-0.3 2,-0.3 -0.993 6.2-161.0-131.8 141.4 14.5 7.2 55.9 32 41 A T > - 0 0 19 -2,-0.4 4,-1.9 44,-0.2 3,-0.2 -0.910 28.5-127.4-118.7 153.3 16.3 4.7 53.6 33 42 A L H > S+ 0 0 0 39,-1.1 4,-3.0 42,-0.5 5,-0.3 0.856 111.9 62.0 -62.2 -36.0 17.7 5.1 50.1 34 43 A D H > S+ 0 0 73 38,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.919 105.2 45.7 -51.8 -49.3 15.7 2.0 49.2 35 44 A E H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 113.8 49.6 -61.4 -40.7 12.5 3.7 50.1 36 45 A I H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.936 112.9 44.6 -67.9 -46.9 13.5 6.8 48.2 37 46 A V H X S+ 0 0 11 -4,-3.0 4,-2.6 1,-0.2 5,-0.4 0.857 111.0 55.0 -67.7 -34.7 14.5 5.0 45.0 38 47 A S H X>S+ 0 0 51 -4,-2.2 5,-1.3 -5,-0.3 4,-1.2 0.913 107.7 49.4 -63.2 -42.2 11.3 2.9 45.2 39 48 A K H <>S+ 0 0 60 -4,-2.1 5,-2.7 1,-0.2 4,-0.2 0.902 114.1 47.2 -59.5 -42.1 9.2 6.1 45.4 40 49 A A H <>S+ 0 0 5 -4,-2.0 5,-1.9 3,-0.2 -2,-0.2 0.899 128.8 19.0 -66.7 -42.0 11.1 7.3 42.3 41 50 A S H <>S+ 0 0 12 -4,-2.6 5,-1.0 3,-0.2 -3,-0.2 0.922 128.2 37.9-100.5 -56.2 10.9 4.2 40.2 42 51 A D T <5S+ 0 0 116 -4,-1.2 -3,-0.2 -5,-0.4 -4,-0.1 0.742 131.2 26.1 -73.6 -23.8 8.1 1.8 41.4 43 52 A D T >XS+ 0 0 1 -5,-1.9 5,-2.7 -6,-0.2 4,-0.7 0.857 116.4 51.3 -60.8 -35.2 8.0 6.6 37.0 46 55 A A H >4 - 0 0 64 1,-0.1 4,-3.1 64,-0.1 5,-0.2 -0.294 30.6-102.2 -75.8 165.6 10.3 4.5 29.3 52 61 A P H > S+ 0 0 116 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.936 123.5 46.1 -53.9 -48.1 13.1 2.2 30.5 53 62 A A H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.876 114.4 47.2 -65.3 -39.0 15.8 4.7 29.7 54 63 A Q H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 111.6 51.3 -66.8 -43.9 13.9 7.6 31.3 55 64 A T H X S+ 0 0 34 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.907 112.7 46.2 -58.9 -45.3 13.2 5.5 34.4 56 65 A Q H X S+ 0 0 122 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.904 112.7 47.7 -65.2 -46.9 16.9 4.6 34.7 57 66 A R H X S+ 0 0 137 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.910 114.4 49.0 -59.1 -40.3 18.2 8.2 34.2 58 67 A H H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.915 111.3 48.5 -67.1 -41.2 15.7 9.4 36.7 59 68 A Q H X S+ 0 0 67 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.900 110.5 51.2 -66.2 -41.7 16.7 6.6 39.2 60 69 A E H X S+ 0 0 110 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.895 111.9 47.6 -59.5 -41.8 20.4 7.5 38.7 61 70 A A H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.930 113.5 45.7 -66.7 -46.7 19.7 11.2 39.4 62 71 A V H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.918 113.9 51.1 -63.4 -43.4 17.6 10.5 42.5 63 72 A E H X S+ 0 0 44 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.952 112.4 44.2 -57.1 -52.3 20.3 8.1 43.8 64 73 A A H X S+ 0 0 40 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.909 113.4 52.6 -60.6 -42.9 23.2 10.5 43.3 65 74 A F H X S+ 0 0 0 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.949 116.2 37.1 -58.3 -50.7 21.1 13.4 44.8 66 75 A F H <>S+ 0 0 13 -4,-2.5 5,-2.2 1,-0.2 4,-0.5 0.792 110.3 60.2 -80.5 -25.5 20.3 11.4 48.0 67 76 A K H ><5S+ 0 0 86 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.2 0.880 100.6 57.7 -63.6 -33.6 23.6 9.7 48.3 68 77 A K H 3<5S+ 0 0 59 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.799 102.3 54.4 -66.5 -24.8 25.1 13.1 48.5 69 78 A I T 3<5S- 0 0 4 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.580 128.8-100.5 -84.4 -10.2 22.9 13.7 51.6 70 79 A G T < 5S+ 0 0 29 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.1 0.414 76.6 138.3 104.9 1.8 24.3 10.6 53.1 71 80 A L < + 0 0 3 -5,-2.2 -1,-0.3 -8,-0.1 2,-0.3 -0.481 24.2 171.2 -73.3 148.1 21.6 8.1 52.4 72 81 A D > - 0 0 76 3,-0.4 3,-1.9 -2,-0.1 -39,-1.1 -0.977 42.4 -76.0-148.6 164.2 22.6 4.6 51.2 73 82 A Y T 3 S+ 0 0 89 -2,-0.3 3,-0.1 1,-0.3 -41,-0.0 -0.396 118.0 7.8 -58.8 131.7 21.0 1.3 50.6 74 83 A G T 3 S+ 0 0 69 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.515 103.3 116.7 75.6 7.2 20.2 -0.5 53.9 75 84 A K < - 0 0 104 -3,-1.9 2,-0.5 2,-0.0 -42,-0.5 -0.925 55.9-146.9-110.6 126.8 21.2 2.5 55.9 76 85 A E - 0 0 118 -2,-0.5 2,-0.5 -44,-0.1 -44,-0.2 -0.824 15.0-164.9 -92.1 127.8 18.5 4.2 58.1 77 86 A V E -A 31 0A 6 -46,-2.6 -46,-1.8 -2,-0.5 2,-0.1 -0.957 3.4-154.0-117.6 128.8 19.0 8.0 58.4 78 87 A E E > -A 30 0A 108 -2,-0.5 4,-2.4 -48,-0.2 3,-0.2 -0.451 35.0 -93.9 -94.4 172.0 17.2 10.1 61.0 79 88 A F H > S+ 0 0 25 -50,-0.6 4,-2.7 1,-0.2 5,-0.3 0.869 117.6 53.8 -59.5 -47.2 16.4 13.8 60.8 80 89 A P H > S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.926 115.9 40.5 -54.7 -45.2 19.4 15.4 62.5 81 90 A A H > S+ 0 0 61 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.864 113.1 56.7 -69.4 -35.9 21.9 13.5 60.2 82 91 A F H X S+ 0 0 2 -4,-2.4 4,-1.4 2,-0.2 3,-0.2 0.953 109.0 44.1 -58.7 -50.3 19.6 14.1 57.2 83 92 A V H X S+ 0 0 16 -4,-2.7 4,-1.0 1,-0.3 3,-0.2 0.893 110.8 54.6 -71.4 -32.4 19.6 17.9 57.6 84 93 A N H X S+ 0 0 102 -4,-1.8 4,-1.0 -5,-0.3 3,-0.3 0.861 106.0 54.9 -62.0 -32.3 23.4 17.9 58.2 85 94 A G H X S+ 0 0 8 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.802 97.2 62.4 -69.7 -32.0 23.6 16.0 54.9 86 95 A W H X S+ 0 0 14 -4,-1.4 4,-3.1 1,-0.2 -1,-0.2 0.807 97.9 59.0 -62.9 -28.7 21.7 18.8 53.1 87 96 A K H X S+ 0 0 66 -4,-1.0 4,-2.1 -3,-0.3 5,-0.3 0.908 105.0 48.0 -65.4 -42.6 24.6 21.0 54.1 88 97 A E H X S+ 0 0 100 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.960 116.9 43.4 -56.8 -51.1 27.0 18.8 52.1 89 98 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.919 112.1 52.4 -64.7 -49.0 24.7 18.8 49.1 90 99 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.921 112.9 43.4 -54.6 -51.3 23.9 22.5 49.2 91 100 A K H X S+ 0 0 133 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.929 115.0 51.6 -61.5 -44.0 27.6 23.6 49.3 92 101 A H H X S+ 0 0 55 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.947 116.1 38.3 -55.5 -53.0 28.4 21.0 46.6 93 102 A D H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.851 112.7 54.4 -75.3 -35.5 25.6 22.1 44.2 94 103 A L H X S+ 0 0 14 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.895 109.4 50.1 -63.9 -37.5 25.9 25.9 44.8 95 104 A K H X S+ 0 0 129 -4,-1.8 4,-0.8 -5,-0.3 -2,-0.2 0.954 113.3 45.6 -62.1 -51.5 29.6 25.7 44.0 96 105 A L H ><>S+ 0 0 34 -4,-1.8 5,-2.5 -5,-0.2 3,-1.2 0.945 114.0 47.7 -57.0 -52.2 28.9 23.8 40.7 97 106 A W H ><5S+ 0 0 74 -4,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.908 107.6 54.8 -60.1 -41.8 26.1 26.0 39.6 98 107 A S H 3<5S+ 0 0 55 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.675 109.2 50.0 -67.8 -15.7 28.0 29.2 40.3 99 108 A Q T <<5S- 0 0 89 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.078 121.5-107.2-106.3 19.3 30.7 27.8 38.0 100 109 A N T < 5S+ 0 0 159 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.851 76.6 135.2 52.7 41.9 28.3 27.0 35.2 101 110 A K < - 0 0 117 -5,-2.5 2,-0.2 -8,-0.1 -1,-0.2 -0.825 64.9 -91.0-113.9 156.4 28.5 23.2 35.9 102 111 A K - 0 0 133 -2,-0.3 2,-0.2 -3,-0.1 -5,-0.0 -0.482 43.8-156.0 -66.5 129.4 25.8 20.6 36.1 103 112 A S > - 0 0 2 -2,-0.2 4,-2.5 -7,-0.1 5,-0.2 -0.623 27.4-113.9-100.7 163.9 24.5 20.2 39.7 104 113 A L H > S+ 0 0 26 -2,-0.2 4,-2.0 1,-0.2 -39,-0.2 0.873 119.3 52.2 -64.1 -36.7 22.8 17.2 41.2 105 114 A I H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 110.3 48.0 -67.6 -37.3 19.6 19.2 41.6 106 115 A R H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.926 109.5 53.4 -65.7 -44.6 19.7 20.2 37.9 107 116 A N H X S+ 0 0 46 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.879 108.9 49.2 -58.4 -41.6 20.3 16.6 36.9 108 117 A W H X S+ 0 0 55 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.937 110.8 50.0 -62.5 -47.9 17.2 15.6 38.8 109 118 A G H X S+ 0 0 14 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.891 109.6 50.9 -56.9 -43.6 15.2 18.3 37.2 110 119 A E H X S+ 0 0 72 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.902 110.5 50.0 -60.9 -40.2 16.4 17.2 33.7 111 120 A A H X S+ 0 0 11 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.901 114.1 43.7 -69.3 -40.0 15.4 13.6 34.5 112 121 A V H >X S+ 0 0 10 -4,-2.5 3,-0.9 2,-0.2 4,-0.7 0.950 115.9 45.9 -67.4 -49.8 11.9 14.5 35.6 113 122 A F H >X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.3 3,-1.0 0.866 103.5 65.3 -65.6 -34.6 11.2 17.0 32.8 114 123 A D H 3< S+ 0 0 60 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.835 92.1 62.6 -57.2 -32.1 12.5 14.6 30.2 115 124 A I H << S+ 0 0 9 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.898 115.9 30.6 -58.4 -38.3 9.7 12.2 31.0 116 125 A F H << S+ 0 0 20 -3,-1.0 2,-0.5 -4,-0.7 -2,-0.2 0.746 96.2 101.2 -89.4 -29.2 7.2 14.8 29.9 117 126 A D < + 0 0 22 -4,-2.3 7,-0.1 1,-0.2 -4,-0.0 -0.449 33.7 164.0 -73.0 113.1 9.2 16.6 27.2 118 127 A K S S+ 0 0 176 -2,-0.5 -1,-0.2 1,-0.1 -4,-0.0 0.450 73.7 44.1-104.1 -2.6 8.3 15.5 23.7 119 128 A D S S- 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.379 108.9-103.6-126.9 5.1 9.9 18.3 21.7 120 129 A G S S+ 0 0 71 3,-0.1 -6,-0.0 -6,-0.1 -3,-0.0 0.633 81.6 125.8 83.4 16.5 13.4 18.9 23.3 121 130 A S - 0 0 48 2,-0.2 3,-0.1 1,-0.0 -1,-0.0 0.666 64.5-138.0 -84.9 -15.8 12.4 22.0 25.1 122 131 A G + 0 0 21 1,-0.3 40,-2.6 39,-0.1 2,-0.3 0.899 69.3 111.1 58.2 37.6 13.5 21.0 28.6 123 132 A S E -B 161 0B 2 38,-0.3 2,-0.3 -10,-0.2 -1,-0.3 -0.959 53.8-151.7-140.9 155.2 10.2 22.5 29.8 124 133 A I E -B 160 0B 0 36,-2.2 36,-2.7 -2,-0.3 2,-0.1 -0.956 16.0-123.7-128.5 154.3 6.9 21.4 31.2 125 134 A S > - 0 0 31 -2,-0.3 4,-2.2 34,-0.2 5,-0.2 -0.333 32.2-104.2 -85.8 170.6 3.4 22.7 31.2 126 135 A L H > S+ 0 0 47 32,-0.3 4,-2.3 1,-0.2 5,-0.1 0.893 122.3 51.7 -58.6 -44.2 1.1 23.5 34.1 127 136 A D H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 108.8 50.4 -64.7 -35.8 -0.9 20.3 33.5 128 137 A E H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.884 109.9 50.0 -69.8 -36.4 2.3 18.2 33.5 129 138 A W H X S+ 0 0 7 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.896 108.8 53.1 -66.8 -39.3 3.4 19.8 36.8 130 139 A K H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.907 111.1 48.0 -57.3 -42.2 -0.1 19.1 38.2 131 140 A T H X S+ 0 0 66 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.961 116.2 40.1 -64.2 -53.4 0.5 15.5 37.2 132 141 A Y H X S+ 0 0 20 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.940 115.4 54.2 -61.9 -47.8 4.0 15.1 38.6 133 142 A G H X S+ 0 0 0 -4,-3.4 4,-1.6 1,-0.2 6,-1.4 0.898 112.3 42.4 -52.8 -46.9 2.9 17.1 41.7 134 143 A G H < S+ 0 0 50 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.853 116.2 47.1 -72.8 -33.3 -0.0 14.9 42.5 135 144 A I H < S+ 0 0 41 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.916 120.3 36.9 -75.6 -43.5 1.8 11.6 41.8 136 145 A S H < S- 0 0 4 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.791 104.0-134.0 -73.5 -29.2 4.9 12.4 43.8 137 146 A G S < S+ 0 0 17 -4,-1.6 -3,-0.1 -5,-0.4 -4,-0.1 0.278 76.1 111.1 92.6 -6.3 2.7 14.3 46.4 138 147 A I S S+ 0 0 20 1,-0.3 50,-0.3 -6,-0.3 -4,-0.1 0.710 89.1 29.9 -79.6 -16.2 5.0 17.3 46.7 139 148 A C S S+ 0 0 2 -6,-1.4 -1,-0.3 -7,-0.1 6,-0.2 -0.635 79.3 172.5-134.2 76.3 2.4 19.6 45.0 140 149 A P + 0 0 70 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.224 55.1 50.2 -84.1 8.8 -0.8 17.8 46.1 141 150 A S S > S- 0 0 38 1,-0.1 4,-2.1 -4,-0.0 3,-0.3 -0.995 76.0-126.9-141.9 151.5 -3.4 20.3 44.9 142 151 A D H > S+ 0 0 87 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.847 110.8 57.5 -59.2 -34.9 -4.0 22.0 41.6 143 152 A E H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 106.5 47.6 -65.2 -40.9 -4.1 25.4 43.3 144 153 A D H > S+ 0 0 16 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.913 111.2 51.2 -64.7 -43.2 -0.6 24.9 44.7 145 154 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.913 109.2 51.3 -60.1 -43.7 0.7 23.8 41.2 146 155 A E H X S+ 0 0 86 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.908 106.7 54.7 -58.6 -39.7 -0.9 26.9 39.8 147 156 A K H X S+ 0 0 91 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.877 103.2 55.7 -62.5 -38.2 1.0 28.9 42.5 148 157 A T H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.938 112.1 42.8 -56.1 -49.3 4.3 27.4 41.4 149 158 A F H < S+ 0 0 11 -4,-1.8 -2,-0.2 2,-0.2 5,-0.2 0.893 114.2 49.1 -69.7 -39.3 3.7 28.6 37.8 150 159 A K H < S+ 0 0 183 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.932 114.1 49.7 -61.2 -42.1 2.4 32.0 38.9 151 160 A H H < S+ 0 0 50 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.893 104.5 66.2 -61.6 -47.6 5.5 32.2 41.1 152 161 A C S < S- 0 0 7 -4,-2.5 2,-0.8 -5,-0.1 13,-0.0 -0.257 89.0-108.3 -76.8 165.8 8.1 31.3 38.5 153 162 A D - 0 0 124 8,-0.1 8,-0.3 11,-0.1 11,-0.1 -0.857 43.1-155.7 -90.8 107.3 9.2 33.1 35.4 154 163 A L - 0 0 67 -2,-0.8 6,-0.2 -5,-0.2 2,-0.0 -0.324 10.8-113.0 -84.0 164.2 7.7 31.1 32.5 155 164 A D > - 0 0 60 4,-2.7 3,-2.6 -2,-0.1 -1,-0.1 -0.156 45.4 -76.2 -89.2-173.0 9.0 30.9 29.0 156 165 A N T 3 S+ 0 0 182 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.604 132.5 51.5 -62.8 -9.5 7.5 32.2 25.7 157 166 A S T 3 S- 0 0 95 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.340 118.1-108.2-102.1 3.0 5.2 29.1 25.8 158 167 A G S < S+ 0 0 42 -3,-2.6 2,-0.3 1,-0.3 -32,-0.3 0.761 80.1 132.8 72.1 24.5 3.9 29.7 29.3 159 168 A K - 0 0 41 -34,-0.1 -4,-2.7 -33,-0.1 2,-0.7 -0.760 61.3-119.8-111.7 153.0 6.0 26.6 30.3 160 169 A L E -B 124 0B 0 -36,-2.7 -36,-2.2 -2,-0.3 2,-0.2 -0.801 31.9-154.6 -89.3 116.1 8.4 26.1 33.2 161 170 A D E > -B 123 0B 38 -2,-0.7 4,-2.5 -8,-0.3 -38,-0.3 -0.551 24.5-113.2 -95.2 163.4 11.9 25.3 31.9 162 171 A V H > S+ 0 0 11 -40,-2.6 4,-2.4 1,-0.2 5,-0.2 0.827 113.8 55.4 -62.0 -34.2 14.6 23.3 33.8 163 172 A D H > S+ 0 0 66 -41,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.938 110.7 46.0 -64.9 -43.6 16.9 26.3 34.1 164 173 A E H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 113.7 47.3 -64.5 -45.2 14.2 28.3 35.9 165 174 A M H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.893 110.7 53.8 -67.2 -33.2 13.2 25.5 38.2 166 175 A T H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.948 108.7 47.5 -64.0 -48.1 16.8 24.9 39.0 167 176 A R H X S+ 0 0 94 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.935 113.9 48.3 -56.0 -45.0 17.4 28.5 40.0 168 177 A Q H X S+ 0 0 26 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.912 110.2 51.8 -62.7 -43.9 14.2 28.4 42.2 169 178 A H H X>S+ 0 0 23 -4,-2.6 4,-3.1 2,-0.2 5,-0.7 0.831 103.6 57.3 -61.3 -38.4 15.2 25.1 43.8 170 179 A L H X>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 4,-1.6 0.951 114.7 38.8 -55.9 -49.3 18.7 26.5 44.7 171 180 A G H <>S+ 0 0 1 -4,-1.7 6,-1.9 3,-0.2 5,-0.9 0.864 120.7 44.7 -70.6 -38.4 16.9 29.2 46.7 172 181 A F H <5S+ 0 0 0 -4,-2.6 -2,-0.2 4,-0.2 -3,-0.2 0.926 127.9 22.6 -73.3 -47.7 14.1 27.0 48.0 173 182 A W H <5S+ 0 0 18 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.800 133.1 28.0 -93.5 -29.3 16.1 24.0 49.1 174 183 A Y T < - 0 0 19 -6,-1.9 3,-3.0 1,-0.2 4,-0.4 -0.618 24.0-141.1 -71.0 118.0 16.2 32.8 49.3 178 187 A P G > S+ 0 0 87 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.763 100.4 67.2 -54.0 -28.7 13.0 34.7 50.2 179 188 A N G 3 S+ 0 0 127 1,-0.2 -7,-0.1 3,-0.0 -2,-0.1 0.649 98.0 53.9 -64.0 -15.6 12.4 35.1 46.4 180 189 A A G X S+ 0 0 1 -3,-3.0 3,-1.6 -9,-0.2 -1,-0.2 0.512 79.7 118.8 -97.4 -6.9 11.8 31.3 46.4 181 190 A D T < S+ 0 0 51 -3,-1.2 -9,-0.0 -4,-0.4 4,-0.0 -0.351 74.6 28.4 -60.8 141.8 9.2 31.4 49.1 182 191 A G T > S+ 0 0 31 6,-0.3 3,-1.9 3,-0.2 -1,-0.3 0.502 76.8 134.4 82.3 8.9 5.8 30.1 47.8 183 192 A L T < S+ 0 0 0 -3,-1.6 -31,-0.1 1,-0.3 -2,-0.1 0.862 81.5 35.5 -55.1 -38.7 7.5 27.8 45.2 184 193 A Y T >> S- 0 0 8 1,-0.4 3,-1.8 4,-0.4 4,-0.6 -0.125 111.8-125.3-107.1 35.1 5.2 24.9 46.2 185 194 A G T <4 S- 0 0 7 -3,-1.9 -1,-0.4 1,-0.2 -3,-0.2 -0.328 71.1 -25.3 59.1-134.4 2.2 27.1 46.9 186 195 A N T 34 S+ 0 0 135 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.366 126.0 75.7 -93.3 4.3 0.8 26.6 50.4 187 196 A F T <4 S+ 0 0 58 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.986 88.8 44.9 -81.4 -68.5 2.1 23.1 50.9 188 197 A V < 0 0 5 -4,-0.6 -4,-0.4 -50,-0.3 -6,-0.3 -0.657 360.0 360.0 -82.5 121.3 5.8 23.3 51.6 189 198 A P 0 0 73 0, 0.0 -174,-0.2 0, 0.0 -1,-0.2 0.802 360.0 360.0 -80.7 360.0 6.7 26.0 54.2