==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 05-APR-11 3REY . COMPND 2 MOLECULE: ADENOSINE RECEPTOR A2A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.S.DORE,N.ROBERTSON,J.C.ERREY,I.NG,K.HOLLENSTEIN,B.TEHAN,E. . 291 2 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 82.5 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 . 3 1.0 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 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.8 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 4 0 0 0 0 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 2 1 1 0 0 0 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 117 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 18.3 48.1 21.5 50.6 2 8 A V H > + 0 0 111 2,-0.2 4,-2.9 3,-0.1 5,-0.2 0.908 360.0 49.6 -80.8 -47.4 46.0 24.7 50.0 3 9 A Y H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 111.1 52.6 -58.0 -37.4 45.8 24.3 46.2 4 10 A I H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.938 110.2 46.8 -62.8 -47.8 44.7 20.7 46.8 5 11 A T H X S+ 0 0 87 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.917 113.0 48.9 -60.5 -45.9 41.9 21.9 49.2 6 12 A V H X S+ 0 0 62 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.911 110.9 49.9 -61.5 -44.4 40.8 24.6 46.8 7 13 A E H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.821 110.8 50.8 -64.3 -31.7 40.7 22.2 43.9 8 14 A L H X S+ 0 0 92 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.848 107.0 53.8 -73.1 -35.6 38.7 19.7 46.1 9 15 A A H X S+ 0 0 52 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.911 109.9 46.8 -64.9 -43.4 36.2 22.5 47.0 10 16 A I H X S+ 0 0 18 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.859 105.9 60.8 -65.6 -36.0 35.5 23.3 43.3 11 17 A A H X S+ 0 0 14 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.886 107.0 45.3 -58.9 -40.8 35.2 19.6 42.6 12 18 A V H X S+ 0 0 74 -4,-1.5 4,-2.6 2,-0.2 3,-0.4 0.954 114.9 45.6 -67.9 -51.8 32.2 19.3 45.0 13 19 A L H X S+ 0 0 79 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.862 109.9 55.7 -60.3 -37.9 30.5 22.5 43.8 14 20 A A H X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.823 114.8 39.8 -65.9 -32.2 31.0 21.5 40.1 15 21 A I H X S+ 0 0 56 -4,-1.2 4,-3.0 -3,-0.4 5,-0.4 0.970 118.7 42.4 -77.9 -65.6 29.3 18.2 40.8 16 22 A L H X S+ 0 0 113 -4,-2.6 4,-2.1 1,-0.2 -3,-0.2 0.889 116.9 51.6 -47.0 -47.5 26.4 19.3 43.1 17 23 A G H X S+ 0 0 8 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.972 117.7 31.9 -56.3 -64.8 25.8 22.3 40.9 18 24 A N H X S+ 0 0 2 -4,-1.1 4,-2.1 -5,-0.3 -1,-0.2 0.764 117.0 57.1 -70.9 -26.8 25.5 20.7 37.4 19 25 A V H X S+ 0 0 63 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.888 105.6 51.8 -67.7 -38.9 24.0 17.5 38.8 20 26 A L H X S+ 0 0 53 -4,-2.1 4,-1.9 -5,-0.4 -2,-0.2 0.857 109.5 50.8 -63.1 -35.8 21.2 19.6 40.3 21 27 A V H X S+ 0 0 1 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.899 107.4 51.6 -68.7 -42.3 20.7 21.2 36.9 22 28 A C H < S+ 0 0 39 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.757 110.9 50.8 -65.8 -24.5 20.5 17.8 35.2 23 29 A W H >X S+ 0 0 121 -4,-1.3 4,-2.6 2,-0.2 3,-0.7 0.894 106.0 51.9 -79.9 -43.4 17.9 16.8 37.8 24 30 A A H 3X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.3 7,-0.2 0.813 106.6 55.2 -63.9 -31.3 15.7 19.9 37.3 25 31 A V H 3< S+ 0 0 18 -4,-1.5 -1,-0.3 1,-0.2 6,-0.2 0.750 111.2 46.3 -71.3 -23.7 15.6 19.2 33.6 26 32 A W H <4 S+ 0 0 198 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.897 118.7 37.8 -84.8 -45.5 14.3 15.7 34.4 27 33 A L H < S+ 0 0 78 -4,-2.6 2,-0.6 1,-0.1 -3,-0.2 0.996 111.5 55.8 -68.4 -67.4 11.6 16.7 36.9 28 34 A N >< - 0 0 22 -4,-1.4 3,-1.2 -5,-0.2 -1,-0.1 -0.586 63.5-165.7 -75.6 112.9 10.2 19.9 35.4 29 35 A S T 3 S+ 0 0 84 -2,-0.6 3,-0.5 1,-0.3 -1,-0.2 0.444 81.1 78.0 -78.6 0.6 9.1 19.3 31.9 30 36 A N T 3 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.391 95.6 47.4 -86.3 2.1 8.9 23.0 31.3 31 37 A L S < S+ 0 0 6 -3,-1.2 -1,-0.2 -6,-0.2 -2,-0.2 0.288 83.5 95.2-119.8 3.3 12.7 23.0 30.9 32 38 A Q + 0 0 79 -3,-0.5 2,-0.1 -4,-0.1 -1,-0.1 -0.053 55.0 133.6 -90.8 33.5 12.9 20.1 28.5 33 39 A N S >> S- 0 0 73 -3,-0.1 3,-0.6 1,-0.1 4,-0.6 -0.388 75.0-102.2 -79.2 162.2 12.9 22.3 25.4 34 40 A V H >> S+ 0 0 24 1,-0.2 3,-0.7 76,-0.2 4,-0.6 0.796 120.2 62.1 -54.8 -30.0 15.4 21.8 22.6 35 41 A T H >> S+ 0 0 9 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.940 101.8 47.9 -61.0 -50.1 17.4 24.7 23.9 36 42 A N H <> S+ 0 0 15 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.468 91.6 81.1 -76.4 -1.1 18.2 23.0 27.3 37 43 A Y H X S+ 0 0 39 -4,-3.4 4,-2.1 1,-0.2 3,-0.8 0.902 114.3 49.7 -53.4 -44.9 27.5 16.7 32.0 45 51 A A H 3X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.3 -1,-0.2 0.939 111.8 46.9 -59.2 -48.7 30.7 18.0 30.6 46 52 A D H 3X S+ 0 0 4 -4,-2.0 4,-0.6 1,-0.2 -1,-0.3 0.471 108.9 58.0 -76.6 -1.6 31.2 20.4 33.6 47 53 A I H XX S+ 0 0 29 -3,-0.8 4,-0.7 -4,-0.7 3,-0.6 0.853 99.8 53.8 -88.1 -46.4 30.4 17.4 35.9 48 54 A L H 3X>S+ 0 0 58 -4,-2.1 4,-3.3 1,-0.2 5,-2.3 0.678 99.7 68.2 -60.4 -16.9 33.2 15.2 34.6 49 55 A V H 3<>S+ 0 0 7 -4,-0.6 5,-3.7 3,-0.2 -1,-0.2 0.955 106.8 35.0 -65.7 -51.0 35.3 18.2 35.5 50 56 A G H <<5S+ 0 0 5 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.464 125.2 47.1 -80.9 -1.0 34.8 17.8 39.2 51 57 A V H <5S- 0 0 60 -4,-0.7 -2,-0.2 -37,-0.1 -3,-0.2 0.762 137.3 -10.4-107.5 -38.6 34.7 14.0 38.6 52 58 A L T X5S+ 0 0 57 -4,-3.3 4,-2.7 -5,-0.1 5,-0.3 0.639 124.6 60.6-129.7 -51.2 37.8 13.3 36.5 53 59 A A H > S+ 0 0 52 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.845 115.0 44.9 -56.2 -32.5 41.1 14.6 40.0 56 62 A F H X S+ 0 0 39 -4,-2.7 4,-2.8 2,-0.2 3,-0.3 0.891 109.7 53.2 -76.0 -43.1 43.5 14.2 37.0 57 63 A A H X S+ 0 0 19 -4,-2.7 4,-1.0 -5,-0.3 -3,-0.2 0.824 109.2 50.0 -62.6 -32.7 44.8 17.8 37.2 58 64 A I H X S+ 0 0 30 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.771 114.1 45.5 -76.4 -26.7 45.7 17.3 40.9 59 65 A T H X S+ 0 0 68 -4,-0.7 4,-0.7 -3,-0.3 3,-0.2 0.855 114.1 46.2 -82.9 -38.4 47.5 14.1 40.1 60 66 A I H < S+ 0 0 20 -4,-2.8 95,-0.4 1,-0.2 -2,-0.2 0.686 99.6 70.9 -78.8 -18.8 49.4 15.3 37.0 61 67 A S H < S+ 0 0 71 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.905 108.0 34.9 -63.0 -42.3 50.5 18.5 38.9 62 68 A T H < S- 0 0 116 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.659 117.0-129.8 -84.2 -17.9 52.8 16.4 41.0 63 69 A G < - 0 0 21 -4,-0.7 2,-0.2 90,-0.1 91,-0.2 0.411 26.3-159.8 78.5 142.8 53.6 14.1 38.1 64 70 A F - 0 0 46 89,-0.4 89,-3.3 87,-0.1 2,-0.5 -0.838 22.7 -95.3-143.9-179.2 53.5 10.3 38.0 65 71 A a E +A 152 0A 55 -2,-0.2 2,-0.3 87,-0.2 87,-0.2 -0.919 57.5 121.7-112.1 121.5 54.8 7.4 36.0 66 72 A A E -A 151 0A 24 85,-1.2 85,-2.3 -2,-0.5 83,-0.1 -0.979 59.7 -73.2-165.6 164.6 52.7 5.7 33.3 67 73 A A > - 0 0 47 -2,-0.3 4,-1.6 83,-0.2 5,-0.2 0.040 50.1-103.8 -56.5 172.3 52.6 4.8 29.6 68 74 A b H > S+ 0 0 33 2,-0.2 4,-2.5 81,-0.2 5,-0.2 0.880 120.7 49.7 -69.8 -38.7 52.2 7.5 26.9 69 75 A H H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.959 115.0 42.1 -62.8 -53.0 48.6 6.5 26.3 70 76 A G H > S+ 0 0 36 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.779 117.5 48.9 -66.1 -27.8 47.6 6.5 30.0 71 77 A c H X S+ 0 0 2 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.885 110.4 48.0 -80.2 -41.8 49.6 9.7 30.6 72 78 A L H X S+ 0 0 3 -4,-2.5 4,-3.0 2,-0.2 3,-0.3 0.882 108.8 54.3 -67.3 -39.9 48.2 11.7 27.6 73 79 A F H X S+ 0 0 71 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.937 109.7 46.8 -58.7 -47.7 44.6 10.8 28.5 74 80 A I H < S+ 0 0 37 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.703 119.2 43.3 -67.1 -18.7 45.0 12.1 32.0 75 81 A A H < S+ 0 0 6 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.756 121.7 35.2 -96.3 -30.2 46.6 15.2 30.5 76 82 A C H < S+ 0 0 0 -4,-3.0 4,-0.4 1,-0.1 -2,-0.2 0.274 89.6 92.4-111.7 8.9 44.3 15.9 27.6 77 83 A F S >X S+ 0 0 8 -4,-1.1 4,-1.4 1,-0.2 3,-1.2 0.869 85.5 54.1 -69.2 -36.8 41.0 14.8 29.2 78 84 A V H 3> S+ 0 0 40 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.773 99.6 62.8 -67.1 -25.5 40.3 18.4 30.3 79 85 A L H 3> S+ 0 0 18 51,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.664 102.2 52.2 -72.8 -16.2 40.8 19.4 26.7 80 86 A V H <> S+ 0 0 0 -3,-1.2 4,-2.5 -4,-0.4 -2,-0.2 0.900 109.5 44.7 -83.1 -48.1 37.8 17.3 25.9 81 87 A L H X S+ 0 0 4 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.715 115.8 50.9 -68.9 -20.8 35.4 18.8 28.5 82 88 A A H X S+ 0 0 12 -4,-1.3 4,-0.5 -5,-0.2 -1,-0.2 0.821 111.5 45.5 -83.2 -35.3 36.7 22.2 27.4 83 89 A Q H X S+ 0 0 9 -4,-0.9 4,-1.4 2,-0.2 3,-0.4 0.872 111.0 52.2 -76.0 -39.5 36.1 21.5 23.7 84 90 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-0.4 0.928 105.4 55.1 -61.9 -45.5 32.6 20.0 24.2 85 91 A S H X S+ 0 0 1 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.746 102.9 59.6 -59.5 -23.5 31.6 23.1 26.2 86 92 A I H X S+ 0 0 2 -4,-0.5 4,-1.7 -3,-0.4 -1,-0.2 0.915 108.2 41.8 -70.3 -44.7 32.6 25.1 23.2 87 93 A F H X S+ 0 0 39 -4,-1.4 4,-3.2 -3,-0.4 5,-0.2 0.903 115.4 50.5 -68.4 -43.2 30.1 23.3 20.9 88 94 A S H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.941 114.1 43.9 -59.2 -49.2 27.4 23.5 23.6 89 95 A L H X S+ 0 0 5 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.811 115.3 50.3 -66.5 -30.6 27.9 27.2 24.1 90 96 A L H X S+ 0 0 37 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.923 111.0 47.0 -72.8 -46.5 28.1 27.7 20.4 91 97 A A H X S+ 0 0 15 -4,-3.2 4,-3.9 1,-0.2 5,-0.2 0.940 109.5 53.8 -59.5 -49.5 24.9 25.8 19.6 92 98 A I H X S+ 0 0 6 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.853 109.7 50.2 -53.6 -36.6 23.1 27.7 22.4 93 99 A A H X S+ 0 0 0 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.962 113.9 42.4 -66.1 -53.1 24.2 30.9 20.7 94 100 A I H X S+ 0 0 78 -4,-2.5 4,-2.5 2,-0.2 3,-0.3 0.931 114.4 53.2 -57.4 -48.4 23.0 29.8 17.3 95 101 A D H X S+ 0 0 6 -4,-3.9 4,-2.0 1,-0.2 -2,-0.2 0.942 107.7 48.4 -52.3 -56.1 19.8 28.4 18.8 96 102 A R H X S+ 0 0 19 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.780 112.0 52.1 -58.9 -27.3 18.9 31.7 20.6 97 103 A Y H X S+ 0 0 86 -4,-1.4 4,-3.3 -3,-0.3 5,-0.3 0.895 105.7 53.3 -73.8 -42.0 19.6 33.5 17.4 98 104 A I H X S+ 0 0 39 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.881 106.9 53.1 -60.0 -40.3 17.3 31.2 15.4 99 105 A A H < S+ 0 0 5 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.920 117.9 34.8 -62.8 -46.2 14.4 31.9 17.8 100 106 A I H < S+ 0 0 8 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.918 124.2 42.4 -75.9 -46.0 14.7 35.6 17.5 101 107 A A H < S+ 0 0 29 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.983 135.5 10.9 -65.3 -60.4 15.6 35.8 13.8 102 108 A I < + 0 0 89 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.3 -0.750 66.4 168.3-125.3 84.2 13.2 33.1 12.5 103 109 A P S > S+ 0 0 75 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.808 78.0 54.4 -64.4 -32.5 10.7 32.2 15.2 104 110 A L T >4 S+ 0 0 153 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.960 111.9 39.8 -68.3 -53.6 8.5 30.3 12.7 105 111 A R T 3> S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.492 97.8 86.7 -75.0 -2.2 11.2 28.0 11.3 106 112 A Y H 3> S+ 0 0 26 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.944 91.6 41.0 -62.0 -50.4 12.5 27.6 14.9 107 113 A N H << S+ 0 0 126 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.696 117.9 50.6 -71.6 -18.9 10.2 24.8 15.8 108 114 A G H 4 S+ 0 0 48 -4,-0.4 -2,-0.2 3,-0.1 -1,-0.2 0.814 124.3 24.1 -87.8 -34.8 10.7 23.2 12.4 109 115 A L H < S+ 0 0 61 -4,-2.5 2,-1.8 1,-0.2 5,-0.2 0.889 112.3 65.4 -94.7 -57.3 14.5 23.3 12.4 110 116 A V S < S+ 0 0 18 -4,-1.6 2,-0.3 -5,-0.5 -76,-0.2 -0.509 76.5 166.6 -70.4 86.7 15.4 23.4 16.1 111 117 A T > - 0 0 38 -2,-1.8 4,-1.9 -3,-0.1 5,-0.1 -0.724 51.0-121.5-107.3 155.4 14.1 19.9 16.9 112 118 A G H > S+ 0 0 31 -2,-0.3 4,-0.6 1,-0.2 -1,-0.1 0.536 114.8 50.9 -69.3 -5.8 14.6 17.7 20.0 113 119 A T H > S+ 0 0 117 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.853 107.9 46.1 -96.0 -49.7 16.0 15.1 17.6 114 120 A R H > S+ 0 0 147 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.826 109.5 59.7 -61.8 -31.9 18.5 17.1 15.7 115 121 A A H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.969 106.3 43.6 -60.0 -55.6 19.7 18.5 19.1 116 122 A A H X S+ 0 0 54 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.764 114.8 54.3 -61.2 -24.9 20.6 15.1 20.5 117 123 A G H X S+ 0 0 34 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.921 109.6 42.9 -75.0 -47.1 22.2 14.4 17.1 118 124 A I H X S+ 0 0 81 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.911 111.4 55.9 -65.5 -43.7 24.4 17.5 17.0 119 125 A I H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.921 107.1 49.1 -54.2 -48.7 25.5 17.0 20.6 120 126 A A H X S+ 0 0 54 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.923 113.0 47.3 -57.8 -46.5 26.6 13.5 20.0 121 127 A I H X S+ 0 0 99 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.911 109.6 54.1 -60.9 -43.7 28.6 14.7 17.0 122 128 A C H X S+ 0 0 13 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.903 109.2 48.0 -57.7 -44.0 30.1 17.5 19.0 123 129 A W H X S+ 0 0 46 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.901 110.5 51.2 -64.4 -42.5 31.3 15.0 21.7 124 130 A V H X S+ 0 0 97 -4,-2.2 4,-1.8 1,-0.2 3,-0.2 0.912 113.1 45.1 -60.8 -43.2 32.8 12.8 19.0 125 131 A L H X S+ 0 0 80 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.774 107.9 60.2 -70.4 -26.3 34.7 15.7 17.5 126 132 A S H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.825 108.3 42.9 -70.7 -32.8 35.6 16.8 21.1 127 133 A F H X S+ 0 0 82 -4,-1.6 4,-1.3 -3,-0.2 -2,-0.2 0.833 112.9 52.3 -80.5 -35.4 37.5 13.5 21.7 128 134 A A H < S+ 0 0 52 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.907 122.5 31.0 -65.4 -42.6 39.1 13.6 18.2 129 135 A I H >< S+ 0 0 36 -4,-2.1 3,-2.1 2,-0.2 -2,-0.2 0.944 119.3 50.9 -79.7 -54.1 40.4 17.1 18.8 130 136 A G H 3< S+ 0 0 1 -4,-2.0 -51,-0.2 -5,-0.3 -3,-0.2 0.727 118.5 40.6 -58.6 -24.0 40.9 17.1 22.5 131 137 A L T 3< S+ 0 0 26 -4,-1.3 3,-0.4 1,-0.1 4,-0.4 -0.061 77.4 115.0-116.5 31.1 42.9 13.8 22.2 132 138 A T S X>>S+ 0 0 22 -3,-2.1 3,-1.7 1,-0.2 5,-1.2 0.873 71.4 62.1 -65.2 -39.5 44.8 14.7 19.1 133 139 A P T 345S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.805 99.1 57.3 -54.9 -28.6 48.1 14.7 21.1 134 140 A M T 345S+ 0 0 48 -3,-0.4 -2,-0.2 1,-0.2 4,-0.1 0.677 98.3 61.3 -75.5 -17.5 47.3 11.0 21.7 135 141 A L T <45S- 0 0 136 -3,-1.7 -1,-0.2 -4,-0.4 -3,-0.1 0.810 139.0 -68.3 -77.2 -31.4 47.2 10.5 17.9 136 142 A G T <5S+ 0 0 54 -4,-1.0 2,-2.1 -3,-0.2 -2,-0.1 0.240 103.4 111.1 164.1 -15.3 50.8 11.5 17.5 137 143 A W < + 0 0 104 -5,-1.2 2,-0.3 2,-0.1 -2,-0.1 -0.445 59.3 109.3 -82.2 67.2 51.1 15.2 18.3 138 144 A N S S- 0 0 38 -2,-2.1 21,-0.2 21,-0.1 20,-0.1 -0.876 70.8-128.7-138.7 169.1 53.1 14.7 21.6 139 145 A N > + 0 0 59 19,-1.1 3,-1.4 -2,-0.3 2,-0.8 -0.199 45.3 156.9-111.4 40.0 56.5 15.2 23.2 140 146 A b T 3 S- 0 0 38 1,-0.3 18,-0.1 18,-0.2 -2,-0.1 -0.555 77.2 -4.8 -71.3 105.6 56.9 11.6 24.5 141 147 A G T 3 S+ 0 0 69 -2,-0.8 -1,-0.3 1,-0.3 17,-0.1 0.657 89.9 159.8 87.8 17.7 60.6 11.0 25.0 142 148 A Q < 0 0 120 -3,-1.4 -1,-0.3 15,-0.3 -3,-0.1 -0.491 360.0 360.0 -73.8 142.6 61.8 14.3 23.5 143 149 A P 0 0 167 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.965 360.0 360.0 -52.7 360.0 65.3 15.5 24.4 144 ! 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 0.0 145 158 A G 0 0 132 0, 0.0 6,-0.1 0, 0.0 -80,-0.1 0.000 360.0 360.0 360.0 -90.0 63.4 8.0 36.9 146 159 A a - 0 0 38 4,-0.2 5,-0.1 1,-0.1 -81,-0.0 0.607 360.0-131.7-108.6 -21.0 60.4 5.9 35.9 147 160 A G > - 0 0 51 2,-0.1 3,-1.5 3,-0.1 2,-0.1 -0.108 42.2 -35.7 91.4 169.2 62.1 3.3 33.7 148 161 A E T 3 S+ 0 0 198 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.419 128.1 27.9 -66.5 135.1 61.5 2.0 30.2 149 162 A G T 3 S+ 0 0 68 1,-0.1 2,-0.4 -2,-0.1 -1,-0.2 0.024 110.8 79.2 101.2 -25.7 57.8 1.7 29.4 150 163 A Q < - 0 0 96 -3,-1.5 2,-0.4 -83,-0.1 -4,-0.2 -0.953 63.8-156.5-119.2 136.4 56.9 4.5 31.7 151 164 A V E -A 66 0A 45 -85,-2.3 -85,-1.2 -2,-0.4 2,-0.7 -0.910 33.1-104.4-113.0 136.5 57.2 8.2 31.0 152 165 A A E -A 65 0A 45 -2,-0.4 2,-2.7 -87,-0.2 -87,-0.2 -0.418 38.1-140.1 -55.9 102.1 57.4 11.0 33.6 153 166 A c + 0 0 0 -89,-3.3 2,-0.6 -2,-0.7 -89,-0.4 -0.366 47.0 146.7 -74.5 68.7 53.9 12.3 33.2 154 167 A L >> - 0 0 57 -2,-2.7 4,-2.1 -91,-0.2 3,-1.8 -0.938 44.8-141.8-104.8 118.3 54.7 16.0 33.4 155 168 A F H >> S+ 0 0 55 -2,-0.6 4,-3.2 -95,-0.4 3,-0.5 0.880 97.6 50.9 -48.9 -58.0 52.2 17.9 31.2 156 169 A E H 34 S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.717 118.9 42.3 -55.5 -20.1 54.6 20.6 29.8 157 170 A D H <4 S+ 0 0 89 -3,-1.8 -15,-0.3 -5,-0.1 -1,-0.3 0.730 120.2 39.5 -96.1 -28.0 56.9 17.7 28.9 158 171 A V H << S+ 0 0 2 -4,-2.1 -19,-1.1 -3,-0.5 -18,-0.2 0.626 113.5 55.1 -99.1 -16.5 54.3 15.2 27.6 159 172 A V S < S- 0 0 0 -4,-3.2 -1,-0.2 -5,-0.3 -21,-0.1 -0.977 83.5-125.5-124.8 124.0 52.1 17.7 25.7 160 173 A P - 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0 0 110 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.112 47.8-108.7 -43.1 110.5 59.9 35.1 31.8 251 264 A H - 0 0 123 -4,-0.2 -1,-0.1 -3,-0.2 -11,-0.1 -0.201 47.6 -91.4 -47.8 122.3 58.0 31.8 31.8 252 265 A A - 0 0 23 -13,-0.3 -1,-0.1 -3,-0.1 5,-0.1 -0.025 47.2-109.1 -42.1 131.7 54.9 32.3 34.0 253 266 A P > - 0 0 53 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 -0.088 18.9-121.0 -58.3 162.5 55.5 31.5 37.7 254 267 A L H > S+ 0 0 144 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.852 111.5 57.7 -76.4 -36.5 53.8 28.4 39.2 255 268 A W H 4 S+ 0 0 167 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.735 116.8 36.5 -66.1 -22.1 51.9 30.3 41.8 256 269 A L H > S+ 0 0 65 2,-0.1 4,-1.0 3,-0.1 -1,-0.2 0.621 111.3 62.7-100.0 -20.4 50.3 32.3 39.0 257 270 A M H X S+ 0 0 38 -4,-1.0 4,-0.6 2,-0.2 3,-0.3 0.912 104.0 45.1 -71.2 -45.1 50.2 29.2 36.7 258 271 A Y H X S+ 0 0 103 -4,-2.3 4,-3.7 1,-0.2 5,-0.2 0.789 105.6 62.4 -70.6 -27.6 47.8 27.2 38.9 259 272 A L H > S+ 0 0 88 -5,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.869 104.1 48.0 -64.4 -35.9 45.6 30.3 39.4 260 273 A A H < S+ 0 0 2 -4,-1.0 4,-0.5 -3,-0.3 -24,-0.3 0.683 114.8 47.8 -74.5 -19.1 45.0 30.3 35.7 261 274 A I H X S+ 0 0 46 -4,-0.6 4,-1.1 2,-0.2 -2,-0.2 0.863 110.9 47.6 -86.4 -43.7 44.2 26.6 36.0 262 275 A V H X S+ 0 0 21 -4,-3.7 4,-1.3 1,-0.2 3,-0.4 0.884 109.0 56.5 -62.2 -38.7 41.9 27.0 39.1 263 276 A L H X S+ 0 0 55 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.824 105.0 52.2 -62.5 -31.7 40.2 29.7 37.2 264 277 A A H 4 S+ 0 0 3 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.757 109.5 48.0 -77.3 -25.9 39.5 27.3 34.3 265 278 A H H >< S+ 0 0 8 -4,-1.1 3,-0.7 -3,-0.4 -1,-0.2 0.659 102.9 63.8 -85.5 -18.6 38.0 24.7 36.7 266 279 A T H >X S+ 0 0 48 -4,-1.3 3,-2.1 1,-0.2 4,-0.9 0.777 86.3 72.7 -73.8 -27.3 35.8 27.4 38.3 267 280 A N H 3X S+ 0 0 4 -4,-0.7 4,-0.7 1,-0.3 -1,-0.2 0.756 87.3 63.7 -58.4 -25.9 34.0 27.9 34.9 268 281 A S H <4 S+ 0 0 3 -3,-0.7 -1,-0.3 1,-0.2 -250,-0.2 0.606 103.8 48.1 -74.9 -10.8 32.3 24.6 35.5 269 282 A V H <> S+ 0 0 15 -3,-2.1 4,-1.1 2,-0.1 -1,-0.2 0.678 95.4 68.5-103.5 -23.4 30.5 26.0 38.6 270 283 A V H X S+ 0 0 33 -4,-0.9 4,-2.0 1,-0.2 5,-0.2 0.820 88.7 67.8 -68.8 -30.7 29.2 29.3 37.3 271 284 A N H X S+ 0 0 3 -4,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.930 100.1 45.0 -57.6 -52.4 26.7 27.7 35.0 272 285 A P H >> S+ 0 0 8 0, 0.0 4,-1.8 0, 0.0 3,-1.0 0.946 118.4 43.0 -57.5 -49.9 24.4 26.2 37.7 273 286 A F H 3< S+ 0 0 131 -4,-1.1 4,-0.5 1,-0.3 -2,-0.2 0.749 108.5 60.0 -68.5 -24.6 24.4 29.4 39.8 274 287 A I H 3X S+ 0 0 19 -4,-2.0 4,-1.3 2,-0.2 5,-0.3 0.630 107.1 47.1 -80.1 -13.6 24.0 31.5 36.6 275 288 A Y H X - 0 0 45 -4,-1.6 4,-1.5 -5,-0.3 3,-0.6 -0.750 62.3-165.5 -90.7 114.9 16.1 32.2 34.8 280 293 A R H 3> S+ 0 0 147 -2,-0.7 4,-1.1 1,-0.2 -1,-0.2 0.720 88.7 63.0 -67.8 -21.8 13.3 32.6 37.3 281 294 A E H 3> S+ 0 0 71 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.828 104.0 46.8 -72.6 -32.7 11.9 29.2 36.2 282 295 A F H X> S+ 0 0 1 -3,-0.6 4,-2.6 -7,-0.3 3,-0.5 0.951 106.6 53.5 -74.3 -52.4 15.0 27.4 37.4 283 296 A R H 3X S+ 0 0 125 -4,-1.5 4,-2.4 -8,-0.4 -1,-0.2 0.838 109.9 49.6 -54.9 -36.4 15.4 28.9 40.9 284 297 A Q H 3X S+ 0 0 110 -4,-1.1 4,-1.0 2,-0.2 -1,-0.3 0.831 109.9 51.6 -72.3 -33.0 11.9 28.0 41.7 285 298 A T H