==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 01-FEB-09 3G2V . COMPND 2 MOLECULE: ADP-RIBOSYLATION FACTOR-BINDING PROTEIN GGA1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.F.CRAMER,M.A.BEHRENS,C.GUSTAFSEN,C.L.P.OLIVEIRA, . 296 4 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 69.9 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 . 0 0.0 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 . 9 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 1 1 2 0 0 4 2 2 0 0 1 3 0 0 0 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 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 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 7 A P 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.9 9.4 12.8 0.7 2 8 A E - 0 0 91 1,-0.1 2,-0.0 2,-0.1 0, 0.0 -0.213 360.0-105.7 -64.1 153.8 10.4 10.9 -2.4 3 9 A T > - 0 0 75 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.299 22.4-111.3 -81.5 156.3 7.8 8.7 -4.2 4 10 A L H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.873 121.0 55.2 -46.0 -44.2 7.6 5.0 -4.1 5 11 A E H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.954 108.5 45.8 -58.3 -49.5 8.5 5.1 -7.9 6 12 A A H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.886 114.7 48.4 -60.5 -43.0 11.7 7.1 -7.2 7 13 A R H X S+ 0 0 26 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.942 113.9 44.2 -63.3 -54.2 12.7 4.8 -4.3 8 14 A I H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.812 110.0 56.7 -65.6 -30.8 12.2 1.6 -6.2 9 15 A N H < S+ 0 0 30 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.915 114.8 38.1 -67.8 -41.4 13.9 3.0 -9.2 10 16 A R H >< S+ 0 0 78 -4,-1.9 3,-0.7 -5,-0.2 -2,-0.2 0.864 115.2 53.8 -68.1 -45.0 17.1 3.7 -7.2 11 17 A A H 3< S+ 0 0 0 -4,-2.8 9,-0.4 12,-0.2 -2,-0.2 0.776 119.7 32.6 -64.2 -25.8 16.8 0.5 -5.1 12 18 A T T 3< S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 48,-0.2 0.201 80.8 143.2-117.3 10.5 16.6 -1.7 -8.2 13 19 A N X - 0 0 50 -3,-0.7 3,-1.9 1,-0.2 -3,-0.1 -0.360 47.6-144.6 -57.4 119.5 18.8 0.3 -10.5 14 20 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 0.591 98.4 66.6 -67.5 -4.0 20.8 -2.2 -12.6 15 21 A L T 3 S+ 0 0 140 142,-0.0 -2,-0.1 40,-0.0 2,-0.1 0.667 74.3 119.1 -80.9 -15.0 23.8 0.2 -12.4 16 22 A N < - 0 0 32 -3,-1.9 3,-0.1 1,-0.2 4,-0.0 -0.269 51.9-160.5 -59.0 125.7 24.0 -0.4 -8.6 17 23 A K S S- 0 0 190 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.599 77.4 -1.8 -78.9 -15.2 27.4 -1.8 -7.7 18 24 A E S S- 0 0 142 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.956 102.0 -57.9-162.6 172.2 26.0 -3.1 -4.4 19 25 A L - 0 0 55 -2,-0.3 2,-0.9 1,-0.1 -7,-0.1 -0.345 43.6-143.2 -64.5 133.1 22.7 -3.0 -2.4 20 26 A D > + 0 0 48 -9,-0.4 4,-2.5 1,-0.2 5,-0.1 -0.834 20.8 179.2-100.7 92.6 21.4 0.5 -1.7 21 27 A W H >>S+ 0 0 119 -2,-0.9 4,-3.0 2,-0.2 5,-0.6 0.866 76.4 61.9 -66.3 -37.4 19.9 0.2 1.7 22 28 A A H >5S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.949 114.7 35.8 -51.0 -47.2 18.9 3.9 2.0 23 29 A S H >5S+ 0 0 1 2,-0.2 4,-2.0 3,-0.2 -12,-0.2 0.846 117.8 51.3 -76.8 -41.7 16.6 3.3 -1.0 24 30 A I H X5S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.981 119.8 34.3 -56.7 -59.5 15.6 -0.3 -0.1 25 31 A N H X5S+ 0 0 72 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.843 114.2 60.3 -68.7 -29.3 14.6 0.6 3.4 26 32 A G H XX S+ 0 0 16 -4,-1.9 4,-1.3 2,-0.2 3,-1.1 0.904 107.4 52.6 -78.1 -41.3 7.4 5.1 2.3 31 37 A L H 3< S+ 0 0 2 -4,-2.4 6,-0.3 1,-0.3 -1,-0.2 0.899 109.3 53.4 -61.9 -32.0 4.8 2.4 1.4 32 38 A N T 3< S+ 0 0 93 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.702 104.7 59.0 -68.3 -20.8 4.1 2.2 5.2 33 39 A E T <4 S+ 0 0 124 -3,-1.1 2,-0.4 -4,-0.4 -2,-0.2 0.903 97.1 55.3 -83.6 -44.7 3.4 6.0 5.2 34 40 A D S >< S- 0 0 61 -4,-1.3 3,-2.7 1,-0.1 -1,-0.1 -0.762 79.3-126.3-102.9 136.6 0.6 6.5 2.7 35 41 A F T 3 S+ 0 0 186 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.836 113.3 38.9 -42.6 -45.0 -2.8 4.7 2.8 36 42 A E T 3> S+ 0 0 137 1,-0.2 4,-1.3 2,-0.1 -1,-0.3 0.317 89.2 102.2 -98.0 9.2 -2.5 3.5 -0.7 37 43 A G H <> S+ 0 0 1 -3,-2.7 4,-3.1 -6,-0.3 3,-0.3 0.917 74.4 54.0 -54.7 -54.7 1.3 2.8 -0.5 38 44 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.904 108.7 45.0 -60.3 -44.5 1.1 -1.0 -0.1 39 45 A P H > S+ 0 0 20 0, 0.0 4,-1.4 0, 0.0 -2,-0.2 0.800 117.4 47.3 -68.3 -25.6 -1.0 -1.8 -3.2 40 46 A L H X S+ 0 0 37 -4,-1.3 4,-2.6 -3,-0.3 5,-0.2 0.917 109.5 52.8 -73.7 -46.3 1.1 0.5 -5.3 41 47 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.885 109.1 50.6 -51.3 -43.3 4.4 -0.9 -3.8 42 48 A T H X S+ 0 0 8 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.924 109.9 49.2 -73.6 -35.3 3.2 -4.4 -4.8 43 49 A R H X S+ 0 0 116 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.883 113.7 46.3 -64.4 -43.6 2.4 -3.2 -8.4 44 50 A L H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.919 112.9 49.5 -67.4 -44.8 5.8 -1.6 -8.8 45 51 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.899 105.4 56.7 -61.1 -42.8 7.6 -4.6 -7.3 46 52 A A H X S+ 0 0 11 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.889 109.5 46.7 -59.8 -42.3 5.8 -7.1 -9.5 47 53 A H H < S+ 0 0 12 -4,-1.4 3,-0.3 2,-0.2 -1,-0.2 0.929 113.5 46.7 -63.7 -48.6 7.0 -5.2 -12.6 48 54 A K H >< S+ 0 0 8 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.919 110.1 55.1 -59.1 -40.9 10.7 -4.9 -11.4 49 55 A I H 3< S+ 0 0 3 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 104.9 53.0 -64.6 -32.0 10.7 -8.6 -10.4 50 56 A Q T 3< S+ 0 0 36 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.326 82.9 130.4 -87.6 11.8 9.6 -9.7 -14.0 51 57 A S < - 0 0 11 -3,-1.8 6,-0.2 1,-0.1 144,-0.1 -0.314 59.0-143.0 -64.6 136.3 12.5 -7.7 -15.5 52 58 A P S S+ 0 0 60 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.631 87.3 88.5 -71.2 -11.1 14.7 -9.5 -18.0 53 59 A Q S >> S- 0 0 18 1,-0.2 4,-2.0 -5,-0.1 3,-0.7 -0.792 74.1-156.1 -87.5 104.1 17.6 -7.5 -16.5 54 60 A E H 3> S+ 0 0 80 -2,-0.9 4,-3.0 1,-0.3 5,-0.2 0.796 86.6 52.5 -56.9 -39.9 18.5 -10.0 -13.8 55 61 A W H 3> S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.841 109.4 52.2 -70.8 -29.2 20.2 -7.5 -11.4 56 62 A E H <> S+ 0 0 8 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.958 113.7 42.4 -63.7 -49.9 17.1 -5.4 -11.5 57 63 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.890 113.4 52.8 -64.7 -41.7 14.9 -8.3 -10.7 58 64 A I H X S+ 0 0 14 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.880 110.2 47.0 -61.7 -43.0 17.3 -9.6 -8.0 59 65 A Q H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.857 109.9 55.1 -67.3 -36.5 17.4 -6.3 -6.2 60 66 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.865 106.2 50.3 -59.9 -43.7 13.6 -6.1 -6.5 61 67 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.825 108.9 52.8 -66.1 -33.6 13.3 -9.5 -4.7 62 68 A T H X S+ 0 0 22 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.911 108.8 48.8 -66.4 -44.1 15.6 -8.1 -2.0 63 69 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.960 113.7 47.8 -54.4 -48.8 13.3 -5.1 -1.5 64 70 A L H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 112.9 47.5 -59.5 -46.7 10.3 -7.5 -1.4 65 71 A E H X S+ 0 0 35 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.919 114.4 48.9 -57.3 -44.7 12.2 -9.7 1.2 66 72 A T H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.931 112.3 44.2 -66.3 -49.9 13.1 -6.6 3.2 67 73 A a H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.825 109.0 57.9 -71.1 -28.2 9.7 -5.0 3.4 68 74 A M H < S+ 0 0 5 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.898 112.6 41.5 -63.1 -38.0 8.0 -8.3 4.2 69 75 A K H < S+ 0 0 156 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.846 125.1 34.9 -74.5 -35.7 10.2 -8.6 7.2 70 76 A S H < S+ 0 0 74 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.879 116.1 38.7 -91.2 -40.8 10.0 -5.0 8.2 71 77 A b S < S+ 0 0 19 -4,-2.8 -42,-0.1 -5,-0.2 -43,-0.0 -0.067 71.6 73.7 -88.8-179.4 6.4 -3.8 7.4 72 78 A G + 0 0 36 4,-0.0 -40,-0.0 -40,-0.0 -4,-0.0 0.865 26.2 133.7 107.9 118.1 3.0 -5.1 7.5 73 79 A K S > S+ 0 0 151 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.243 121.8 40.9-111.5 -39.7 -0.3 -6.3 8.1 74 80 A R H > S+ 0 0 99 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.894 123.3 39.0 -59.8 -47.1 -1.2 -4.0 5.2 75 81 A F H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.904 115.8 51.6 -66.6 -48.2 1.8 -4.9 3.1 76 82 A H H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.907 109.6 52.2 -53.6 -40.9 1.7 -8.6 4.2 77 83 A D H < S+ 0 0 51 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.829 110.0 46.8 -65.0 -38.3 -2.0 -8.6 3.1 78 84 A E H >< S+ 0 0 30 -4,-1.3 3,-1.2 -5,-0.2 6,-0.4 0.868 113.6 46.7 -72.2 -44.7 -1.3 -7.2 -0.4 79 85 A V H 3< S+ 0 0 0 -4,-2.3 6,-0.4 1,-0.2 -2,-0.2 0.892 107.1 62.4 -62.4 -32.8 1.6 -9.5 -1.1 80 86 A G T 3< S+ 0 0 3 -4,-2.1 45,-0.4 -5,-0.3 2,-0.3 0.178 85.7 96.8 -84.7 16.7 -0.7 -12.3 0.2 81 87 A K S X> S- 0 0 19 -3,-1.2 4,-3.0 44,-0.1 3,-1.1 -0.796 81.6-125.6 -97.3 151.6 -3.3 -11.7 -2.6 82 88 A F H 3> S+ 0 0 18 -2,-0.3 4,-2.9 64,-0.3 5,-0.3 0.833 109.3 72.5 -63.1 -25.5 -3.4 -13.8 -5.8 83 89 A R H 34 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.835 113.7 23.4 -56.4 -41.0 -3.2 -10.4 -7.5 84 90 A F H X> S+ 0 0 4 -3,-1.1 3,-1.6 -6,-0.4 4,-1.0 0.860 120.7 56.5 -87.4 -49.8 0.4 -10.3 -6.4 85 91 A L H 3X S+ 0 0 1 -4,-3.0 4,-2.1 -6,-0.4 -3,-0.2 0.787 100.1 61.8 -56.2 -34.9 1.2 -14.0 -6.0 86 92 A N H 3X S+ 0 0 5 -4,-2.9 4,-1.9 1,-0.2 -1,-0.3 0.812 98.4 56.9 -60.1 -32.1 0.1 -14.7 -9.6 87 93 A E H <> S+ 0 0 22 -3,-1.6 4,-1.0 -5,-0.3 -1,-0.2 0.854 108.2 46.2 -70.7 -33.2 2.9 -12.4 -10.8 88 94 A L H X S+ 0 0 3 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.872 109.1 55.0 -70.8 -42.1 5.5 -14.5 -8.9 89 95 A I H X S+ 0 0 2 -4,-2.1 4,-1.3 1,-0.2 7,-0.2 0.882 103.6 57.1 -57.7 -38.7 3.9 -17.7 -10.3 90 96 A K H < S+ 0 0 65 -4,-1.9 7,-3.4 1,-0.2 8,-0.7 0.895 107.8 47.2 -55.4 -42.4 4.4 -16.3 -13.8 91 97 A V H < S+ 0 0 1 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.821 117.7 38.7 -74.2 -38.5 8.1 -15.9 -13.2 92 98 A V H < S+ 0 0 7 -4,-1.8 -1,-0.2 14,-0.1 -2,-0.2 0.562 98.6 89.4 -87.7 -14.1 8.8 -19.4 -11.7 93 99 A S ><> - 0 0 3 -4,-1.3 5,-2.6 -5,-0.2 3,-1.5 -0.787 65.8-145.8-102.2 126.4 6.5 -21.4 -14.0 94 100 A P T 3 5S+ 0 0 84 0, 0.0 5,-0.3 0, 0.0 -1,-0.1 0.768 100.7 63.4 -53.7 -30.4 7.5 -23.0 -17.3 95 101 A K T 3 5S+ 0 0 137 3,-0.1 -5,-0.1 2,-0.0 -3,-0.0 0.791 120.8 16.4 -61.1 -29.8 4.0 -22.4 -18.7 96 102 A Y T < 5S- 0 0 70 -3,-1.5 3,-0.2 -7,-0.2 -5,-0.2 0.577 134.4 -26.6-112.0-103.2 4.6 -18.6 -18.3 97 103 A L T > 5S+ 0 0 27 -7,-3.4 3,-1.7 1,-0.1 4,-0.3 0.531 102.2 97.8 -98.7 -9.2 7.9 -16.8 -17.8 98 104 A G G > - 0 0 40 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.241 20.5-120.9 -61.8 151.0 17.3 -17.3 -14.6 103 109 A E H > S+ 0 0 122 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.853 113.3 60.4 -59.2 -35.1 17.5 -20.1 -12.0 104 110 A K H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 107.0 43.6 -55.6 -54.9 18.8 -17.5 -9.5 105 111 A V H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 116.9 46.4 -58.0 -47.0 15.6 -15.4 -9.8 106 112 A K H X S+ 0 0 27 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.942 112.0 50.1 -65.7 -45.0 13.3 -18.4 -9.7 107 113 A N H X S+ 0 0 98 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.879 109.3 53.0 -60.1 -39.3 15.1 -19.9 -6.7 108 114 A K H X S+ 0 0 45 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.977 109.9 47.5 -62.1 -46.9 14.9 -16.6 -4.8 109 115 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.882 112.4 49.2 -57.4 -43.6 11.2 -16.4 -5.4 110 116 A L H X S+ 0 0 27 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.897 110.9 50.1 -70.0 -37.9 10.7 -20.0 -4.2 111 117 A E H X S+ 0 0 95 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.905 111.4 48.8 -58.4 -49.7 12.8 -19.4 -1.1 112 118 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.911 110.3 50.9 -60.6 -45.0 10.8 -16.3 -0.3 113 119 A L H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.923 111.1 47.9 -58.7 -48.1 7.5 -18.2 -0.8 114 120 A Y H X S+ 0 0 128 -4,-2.4 4,-1.8 1,-0.2 3,-0.2 0.951 110.4 52.3 -54.7 -51.7 8.6 -21.0 1.6 115 121 A S H X S+ 0 0 45 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.843 109.3 48.9 -59.6 -33.2 9.8 -18.5 4.2 116 122 A W H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.837 105.6 56.9 -75.5 -31.0 6.4 -16.7 4.2 117 123 A T H < S+ 0 0 33 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.903 117.8 35.6 -62.3 -36.2 4.5 -20.0 4.5 118 124 A V H < S+ 0 0 91 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.893 126.8 37.6 -80.8 -42.6 6.5 -20.6 7.7 119 125 A G H < S+ 0 0 52 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.736 125.5 32.6 -87.3 -26.5 6.7 -17.0 8.9 120 126 A L >< + 0 0 26 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 -0.627 62.7 162.2-130.9 68.5 3.3 -15.7 8.0 121 127 A P T 3 + 0 0 86 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.689 69.4 70.4 -64.9 -17.4 0.8 -18.7 8.3 122 128 A E T 3 S+ 0 0 119 1,-0.2 2,-1.5 -3,-0.1 3,-0.1 0.705 79.7 79.6 -72.8 -21.1 -2.2 -16.3 8.5 123 129 A E <> + 0 0 19 -3,-1.4 4,-1.3 -7,-0.2 3,-0.5 -0.666 61.1 174.9 -84.5 79.3 -1.7 -15.5 4.8 124 130 A V H > S+ 0 0 98 -2,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.719 70.3 62.7 -65.5 -23.0 -3.3 -18.6 3.5 125 131 A K H > S+ 0 0 54 -45,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.898 100.7 52.3 -71.2 -39.0 -3.1 -17.6 -0.2 126 132 A I H > S+ 0 0 0 -3,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.950 112.6 46.5 -54.6 -51.4 0.7 -17.6 -0.0 127 133 A A H X S+ 0 0 41 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.850 112.5 49.8 -57.3 -41.2 0.5 -21.1 1.4 128 134 A E H X S+ 0 0 100 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.909 110.3 50.1 -67.2 -42.7 -2.0 -22.2 -1.3 129 135 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.919 110.8 50.8 -58.8 -45.3 0.2 -20.7 -4.0 130 136 A Y H X S+ 0 0 32 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.926 110.5 45.3 -62.0 -49.8 3.2 -22.6 -2.6 131 137 A Q H X S+ 0 0 91 -4,-2.2 4,-3.4 2,-0.2 -1,-0.2 0.847 109.8 57.9 -69.2 -22.6 1.6 -26.1 -2.5 132 138 A M H X S+ 0 0 17 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.950 109.3 43.4 -63.0 -46.9 0.2 -25.5 -5.9 133 139 A L H <>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 6,-1.4 0.852 115.8 49.5 -61.7 -36.3 3.7 -25.1 -7.2 134 140 A K H ><5S+ 0 0 83 -4,-2.0 3,-1.0 4,-0.2 -2,-0.2 0.919 109.3 50.9 -73.7 -39.4 4.8 -28.1 -5.1 135 141 A K H 3<5S+ 0 0 176 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.819 108.5 52.7 -65.2 -30.5 1.9 -30.2 -6.5 136 142 A Q T 3<5S- 0 0 82 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.566 117.4-113.7 -80.2 -9.8 3.0 -29.2 -10.0 137 143 A G T < 5S+ 0 0 59 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.524 87.4 118.2 85.6 7.3 6.6 -30.3 -9.3 138 144 A I S - 0 0 67 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.160 38.8-111.0 -66.2 162.8 24.8 -2.8 -24.3 155 10 B L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.855 119.6 55.8 -60.2 -35.8 21.1 -2.8 -25.3 156 11 B E H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.957 108.4 45.8 -64.8 -46.7 20.3 -2.8 -21.5 157 12 B A H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.947 116.1 45.5 -61.0 -49.3 22.3 0.3 -20.8 158 13 B R H X S+ 0 0 27 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.862 112.8 48.8 -62.1 -46.2 20.9 2.2 -23.8 159 14 B I H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.869 108.9 54.5 -63.3 -34.7 17.3 1.3 -23.2 160 15 B N H < S+ 0 0 26 -4,-2.1 4,-0.2 -5,-0.2 -2,-0.2 0.911 113.8 41.8 -67.3 -38.1 17.6 2.2 -19.5 161 16 B R H >< S+ 0 0 101 -4,-2.0 3,-1.0 -5,-0.2 -2,-0.2 0.936 114.7 51.4 -68.4 -44.8 18.9 5.7 -20.6 162 17 B A H 3< S+ 0 0 0 -4,-2.9 9,-0.4 1,-0.3 -2,-0.2 0.660 120.5 32.5 -68.2 -25.9 16.3 6.0 -23.4 163 18 B T T 3< S+ 0 0 1 -4,-1.6 -1,-0.3 -5,-0.1 48,-0.2 0.190 81.3 148.8-116.5 14.0 13.3 5.1 -21.2 164 19 B N X - 0 0 49 -3,-1.0 3,-1.5 -4,-0.2 -3,-0.1 -0.265 45.2-145.0 -57.7 126.4 14.5 6.6 -17.9 165 20 B P T 3 S+ 0 0 34 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 0.654 99.6 64.4 -66.0 -10.7 11.5 7.9 -15.8 166 21 B L T 3 S+ 0 0 133 -160,-0.0 -2,-0.1 40,-0.0 41,-0.0 0.644 74.2 118.1 -83.8 -17.8 13.9 10.7 -14.7 167 22 B N < - 0 0 37 -3,-1.5 3,-0.1 1,-0.2 4,-0.0 -0.266 53.2-157.6 -54.0 130.7 14.2 12.1 -18.3 168 23 B K S S- 0 0 206 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.723 80.1 -0.9 -77.9 -25.4 12.9 15.7 -18.5 169 24 B E S S- 0 0 149 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.960 103.6 -59.3-155.6 165.5 12.4 15.2 -22.2 170 25 B L - 0 0 48 -2,-0.3 2,-1.1 1,-0.1 3,-0.1 -0.259 44.8-139.4 -53.0 127.5 13.0 12.5 -24.9 171 26 B D > + 0 0 48 -9,-0.4 4,-2.5 1,-0.2 3,-0.2 -0.755 25.8 176.9 -88.9 85.9 16.6 11.5 -25.0 172 27 B W H > S+ 0 0 117 -2,-1.1 4,-2.7 1,-0.2 5,-0.3 0.810 74.9 61.3 -64.4 -34.6 17.0 11.2 -28.8 173 28 B A H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.959 112.8 36.9 -54.4 -49.6 20.7 10.4 -28.5 174 29 B S H > S+ 0 0 6 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.903 115.9 53.7 -71.6 -42.8 20.0 7.2 -26.5 175 30 B I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.955 114.4 40.8 -52.2 -56.0 16.8 6.3 -28.4 176 31 B N H X S+ 0 0 82 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.840 112.3 55.3 -64.4 -42.5 18.6 6.4 -31.8 177 32 B G H X S+ 0 0 10 -4,-1.9 4,-3.2 -5,-0.3 -1,-0.2 0.837 104.9 55.0 -56.7 -37.7 21.7 4.7 -30.4 178 33 B F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.957 110.6 43.3 -60.5 -50.1 19.4 1.8 -29.2 179 34 B c H X S+ 0 0 8 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.903 117.1 48.6 -63.2 -43.5 18.0 1.3 -32.7 180 35 B E H >< S+ 0 0 91 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.967 112.8 46.5 -55.5 -57.1 21.5 1.6 -34.2 181 36 B Q H >X S+ 0 0 20 -4,-3.2 3,-1.7 1,-0.3 4,-0.5 0.850 102.0 64.0 -61.2 -37.2 23.1 -0.8 -31.7 182 37 B L H 3< S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.730 102.2 50.7 -65.4 -19.9 20.4 -3.5 -32.0 183 38 B N T << S+ 0 0 63 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.534 92.8 74.1 -91.7 -8.0 21.3 -4.0 -35.7 184 39 B E T <4 S+ 0 0 128 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 0.678 99.5 47.8 -78.2 -19.0 25.0 -4.4 -35.0 185 40 B D S < S- 0 0 45 -4,-0.5 0, 0.0 -3,-0.3 0, 0.0 -0.899 70.5-138.4-124.3 152.2 24.5 -7.9 -33.6 186 41 B F S S+ 0 0 175 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.814 112.4 49.5 -72.6 -33.5 22.6 -11.1 -34.6 187 42 B E S > S+ 0 0 114 1,-0.2 4,-1.7 2,-0.1 -1,-0.2 0.720 95.6 84.9 -68.2 -23.5 21.4 -11.5 -31.0 188 43 B G H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.886 80.4 49.4 -54.7 -62.1 20.4 -7.8 -31.0 189 44 B P H > S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.851 113.1 46.4 -57.0 -41.2 16.9 -7.7 -32.4 190 45 B P H > S+ 0 0 32 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.869 115.3 48.4 -62.5 -38.0 15.4 -10.5 -30.2 191 46 B L H X S+ 0 0 27 -4,-1.7 4,-2.4 -3,-0.3 5,-0.2 0.931 109.8 51.8 -65.2 -45.6 17.1 -8.9 -27.1 192 47 B A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.895 109.7 49.8 -55.6 -42.1 15.7 -5.4 -28.0 193 48 B T H X S+ 0 0 9 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.913 110.1 49.9 -72.9 -38.1 12.2 -6.8 -28.3 194 49 B R H X S+ 0 0 112 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.925 114.3 44.4 -62.1 -47.9 12.4 -8.5 -24.9 195 50 B L H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.919 113.4 51.1 -68.4 -42.6 13.7 -5.4 -23.2 196 51 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.898 104.6 56.2 -58.5 -45.1 11.1 -3.2 -25.0 197 52 B A H X S+ 0 0 8 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.918 109.1 47.9 -58.6 -43.0 8.2 -5.4 -24.0 198 53 B H H < S+ 0 0 14 -4,-1.6 3,-0.3 2,-0.2 -1,-0.2 0.921 113.4 45.0 -57.4 -53.1 9.1 -5.0 -20.3 199 54 B K H >< S+ 0 0 8 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.885 109.8 56.4 -60.5 -42.1 9.5 -1.2 -20.5 200 55 B I H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.821 104.4 53.2 -60.2 -32.1 6.3 -0.9 -22.4 201 56 B Q T 3< S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.294 83.0 135.7 -87.7 13.0 4.4 -2.7 -19.7 202 57 B S < - 0 0 13 -3,-1.7 6,-0.2 1,-0.2 -158,-0.1 -0.310 57.2-143.2 -62.5 135.8 5.7 -0.3 -17.0 203 58 B P S S+ 0 0 63 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.598 88.3 87.2 -66.4 -13.4 3.2 1.0 -14.4 204 59 B Q S >> S- 0 0 18 1,-0.2 4,-1.9 -5,-0.1 3,-0.8 -0.820 74.3-154.6 -93.5 108.9 5.2 4.2 -14.7 205 60 B E H 3> S+ 0 0 87 -2,-0.8 4,-2.5 1,-0.3 5,-0.2 0.865 88.7 50.8 -55.4 -47.3 3.6 6.0 -17.6 206 61 B W H 3> S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.797 109.9 52.3 -66.3 -27.1 6.5 8.1 -18.8 207 62 B E H <> S+ 0 0 6 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.912 112.3 45.1 -70.1 -44.4 8.7 5.0 -18.9 208 63 B A H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.853 112.6 51.3 -63.5 -41.6 6.2 3.1 -21.0 209 64 B I H X S+ 0 0 16 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.912 111.2 46.8 -64.9 -45.5 5.7 6.2 -23.3 210 65 B Q H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.895 111.2 52.9 -61.3 -41.9 9.4 6.6 -23.9 211 66 B A H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.921 108.2 49.6 -60.3 -45.4 9.7 2.8 -24.6 212 67 B L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.831 109.0 53.5 -64.1 -32.0 6.9 3.1 -27.2 213 68 B T H X S+ 0 0 17 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.915 109.3 47.6 -65.3 -43.4 8.8 6.0 -28.7 214 69 B V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.952 113.1 49.8 -57.1 -48.5 11.9 3.8 -28.9 215 70 B L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.937 112.1 46.4 -56.8 -49.0 9.7 1.1 -30.4 216 71 B E H X S+ 0 0 42 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.912 113.5 49.7 -56.5 -49.2 8.2 3.5 -33.0 217 72 B T H X S+ 0 0 22 -4,-2.6 4,-0.6 1,-0.2 3,-0.4 0.933 111.7 45.6 -60.4 -50.3 11.6 4.9 -33.9 218 73 B c H >< S+ 0 0 5 -4,-2.8 3,-0.8 1,-0.2 5,-0.2 0.857 110.9 53.8 -65.4 -35.3 13.3 1.5 -34.5 219 74 B M H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.767 101.9 59.9 -68.6 -26.5 10.4 0.2 -36.5 220 75 B K H 3< S+ 0 0 156 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.657 89.1 89.1 -74.9 -16.1 10.7 3.3 -38.7 221 76 B S S << S- 0 0 48 -3,-0.8 6,-0.1 -4,-0.6 -3,-0.0 -0.534 89.1-120.1 -76.0 156.1 14.3 2.2 -39.6 222 77 B b + 0 0 126 -2,-0.2 2,-0.2 4,-0.0 -1,-0.1 0.470 65.0 130.7 -88.7 6.6 14.5 -0.1 -42.6 223 78 B G > - 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