==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-APR-05 1ZAR . COMPND 2 MOLECULE: RIO2 KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR N.LARONDE-LEBLANC,T.GUSZCZYNSKI,T.COPELAND,A.WLODAWER . 267 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 70.4 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 . 48 18.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 1 0 1 1 0 0 1 1 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 3 0 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 2 A N > 0 0 144 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.7 65.8 46.7 22.1 2 3 A I H > + 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.857 360.0 50.0 -56.0 -35.1 63.5 45.5 19.3 3 4 A A H > S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 110.3 49.3 -71.0 -37.3 65.8 47.4 16.9 4 5 A E H > S+ 0 0 120 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.911 110.7 49.9 -66.7 -44.4 68.9 45.7 18.4 5 6 A L H >< S+ 0 0 16 -4,-2.9 3,-1.6 1,-0.2 4,-0.3 0.925 107.4 54.3 -58.5 -46.6 67.2 42.3 18.2 6 7 A Y H >< S+ 0 0 56 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.879 103.8 56.8 -55.1 -40.1 66.4 43.0 14.5 7 8 A G H 3< S+ 0 0 66 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.590 96.4 63.1 -70.5 -12.6 70.1 43.8 13.9 8 9 A K T << S+ 0 0 110 -3,-1.6 2,-0.5 -4,-0.5 -1,-0.3 0.525 86.0 98.4 -84.9 -7.6 71.2 40.4 15.2 9 10 A M < - 0 0 19 -3,-1.4 2,-0.1 -4,-0.3 -3,-0.0 -0.720 52.7-171.1 -94.4 124.7 69.3 38.7 12.3 10 11 A G > - 0 0 37 -2,-0.5 4,-2.2 1,-0.0 5,-0.2 -0.437 44.4 -89.6 -99.6 178.5 70.9 37.5 9.1 11 12 A K H > S+ 0 0 177 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.875 127.2 51.6 -55.6 -40.7 69.5 36.2 5.9 12 13 A H H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 107.2 53.4 -68.5 -36.5 69.5 32.6 7.2 13 14 A S H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.938 109.2 47.8 -61.2 -48.5 67.7 33.6 10.4 14 15 A W H X S+ 0 0 27 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.897 109.6 54.1 -59.7 -38.7 64.9 35.3 8.4 15 16 A R H X S+ 0 0 96 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.901 108.6 49.0 -62.9 -39.7 64.6 32.1 6.2 16 17 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.932 111.7 49.0 -63.8 -43.2 64.2 30.0 9.3 17 18 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.892 108.7 53.1 -65.0 -38.9 61.5 32.3 10.6 18 19 A D H X S+ 0 0 46 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.896 106.6 54.0 -58.4 -44.4 59.7 32.3 7.2 19 20 A A H < S+ 0 0 0 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.850 110.6 44.7 -61.9 -39.7 59.7 28.5 7.4 20 21 A I H >< S+ 0 0 0 -4,-1.8 3,-2.0 2,-0.2 4,-0.4 0.975 113.6 51.4 -64.7 -53.3 58.0 28.4 10.8 21 22 A F H >< S+ 0 0 39 -4,-2.8 3,-1.2 1,-0.3 4,-0.2 0.849 107.1 51.9 -50.9 -43.7 55.5 31.1 9.7 22 23 A K T 3< S+ 0 0 86 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.542 112.5 46.6 -77.0 -6.4 54.4 29.3 6.6 23 24 A N T X> S+ 0 0 20 -3,-2.0 4,-1.2 -4,-0.3 3,-1.0 0.276 79.7 97.4-118.4 9.6 53.7 26.1 8.5 24 25 A L T <4 + 0 0 10 -3,-1.2 109,-0.1 -4,-0.4 -2,-0.1 0.729 69.4 75.5 -66.5 -21.7 51.8 27.6 11.4 25 26 A W T 34 S+ 0 0 195 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.749 113.8 17.7 -67.2 -24.8 48.5 26.7 9.6 26 27 A D T <4 S+ 0 0 73 -3,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.469 125.1 48.1-130.1 0.1 48.9 23.0 10.5 27 28 A Y < - 0 0 84 -4,-1.2 3,-0.2 1,-0.2 -1,-0.2 -1.000 46.5-165.1-134.5 141.1 51.5 22.9 13.3 28 29 A E S S+ 0 0 109 -2,-0.3 2,-0.7 1,-0.3 -1,-0.2 0.922 101.1 32.0 -76.1 -55.6 51.8 24.8 16.6 29 30 A Y S S- 0 0 27 41,-0.1 -1,-0.3 39,-0.1 41,-0.2 -0.905 93.4-141.3-100.9 110.5 55.4 23.5 16.9 30 31 A V E -A 69 0A 0 39,-2.6 39,-1.9 -2,-0.7 5,-0.1 -0.592 24.1-110.8 -74.6 128.1 56.7 23.1 13.4 31 32 A P E >> -A 68 0A 15 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.285 18.5-125.0 -59.9 138.7 58.9 20.0 13.0 32 33 A L H 3> S+ 0 0 4 35,-2.7 4,-2.9 1,-0.2 5,-0.2 0.858 110.0 58.9 -47.7 -43.6 62.6 20.6 12.5 33 34 A Q H 3> S+ 0 0 108 34,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.841 108.3 44.8 -60.3 -35.5 62.6 18.5 9.3 34 35 A L H <> S+ 0 0 52 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.833 111.4 51.7 -75.0 -39.2 60.0 20.8 7.8 35 36 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.951 114.4 45.2 -59.8 -48.2 61.7 24.0 8.8 36 37 A S H X>S+ 0 0 12 -4,-2.9 5,-1.7 2,-0.2 4,-1.2 0.944 115.3 45.5 -60.4 -51.3 64.9 22.6 7.2 37 38 A S H <5S+ 0 0 77 -4,-2.4 3,-0.2 -5,-0.2 -2,-0.2 0.913 116.0 46.1 -63.8 -40.7 63.2 21.4 4.0 38 39 A H H <5S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.901 117.3 42.3 -66.8 -41.3 61.2 24.7 3.6 39 40 A A H <5S- 0 0 5 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.601 103.9-130.2 -82.1 -10.9 64.2 27.0 4.3 40 41 A R T <5 + 0 0 221 -4,-1.2 2,-0.4 1,-0.3 -3,-0.2 0.919 66.0 130.8 53.4 47.0 66.5 24.8 2.2 41 42 A I < - 0 0 8 -5,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.995 65.8-103.0-127.7 133.6 69.0 24.8 5.1 42 43 A G > - 0 0 48 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.123 31.3-113.0 -59.9 151.3 70.5 21.5 6.3 43 44 A E H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.853 113.9 49.4 -59.0 -39.0 69.1 20.0 9.5 44 45 A E H > S+ 0 0 150 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 115.6 43.6 -68.3 -42.4 72.2 20.5 11.6 45 46 A K H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.903 113.0 52.1 -66.4 -44.4 72.6 24.1 10.6 46 47 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.903 109.1 51.2 -56.7 -44.0 68.8 24.8 11.0 47 48 A R H X S+ 0 0 69 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.927 109.6 49.5 -59.7 -43.9 69.0 23.3 14.5 48 49 A N H X S+ 0 0 92 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.913 110.9 49.7 -61.5 -43.4 71.9 25.6 15.3 49 50 A I H X S+ 0 0 20 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.927 111.0 49.5 -59.8 -47.1 70.0 28.6 14.1 50 51 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.879 107.9 54.0 -63.9 -37.5 66.9 27.7 16.1 51 52 A K H X S+ 0 0 107 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.933 111.5 44.7 -59.4 -45.3 69.1 27.2 19.3 52 53 A Y H X S+ 0 0 103 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.920 111.8 52.1 -67.4 -41.7 70.5 30.8 18.8 53 54 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 6,-0.8 0.877 108.2 51.9 -62.2 -35.0 67.0 32.2 18.1 54 55 A S H ><5S+ 0 0 45 -4,-2.3 3,-1.3 4,-0.2 -1,-0.2 0.896 106.3 54.3 -65.6 -37.2 65.8 30.5 21.3 55 56 A D H 3<5S+ 0 0 120 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.853 108.7 48.9 -61.1 -35.5 68.7 32.2 23.2 56 57 A L T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.371 116.9-117.7 -85.1 0.3 67.5 35.6 21.8 57 58 A R T < 5S+ 0 0 162 -3,-1.3 18,-0.5 2,-0.2 17,-0.3 0.736 84.0 117.5 69.0 28.8 63.9 34.7 22.9 58 59 A V S - 0 0 36 -14,-1.7 4,-3.0 -2,-0.2 5,-0.3 -0.513 40.0 -99.4 -82.9 171.5 57.4 33.7 21.0 73 74 A F H > S+ 0 0 37 2,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.941 128.2 50.1 -57.1 -46.1 55.5 37.0 21.0 74 75 A I H > S+ 0 0 50 -17,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.918 113.5 46.4 -56.5 -45.8 58.8 38.8 20.6 75 76 A G H > S+ 0 0 0 -18,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.897 111.9 47.7 -68.4 -44.2 59.7 36.6 17.7 76 77 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 87,-0.4 0.899 114.5 48.8 -61.4 -41.7 56.3 36.8 15.9 77 78 A S H X S+ 0 0 4 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.937 111.7 49.1 -61.4 -47.6 56.5 40.6 16.4 78 79 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.920 112.7 47.3 -59.4 -45.4 60.0 40.7 15.0 79 80 A Y H X S+ 0 0 5 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.908 112.2 49.4 -64.5 -42.1 59.1 38.6 12.0 80 81 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.904 109.3 52.4 -64.9 -41.3 56.0 40.7 11.3 81 82 A L H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.927 106.8 54.0 -57.0 -45.2 58.2 43.9 11.6 82 83 A H H X S+ 0 0 19 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.914 106.7 50.8 -55.9 -44.5 60.5 42.3 9.0 83 84 A R H X S+ 0 0 73 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.910 111.2 48.8 -61.1 -40.2 57.6 41.7 6.6 84 85 A L H <>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 6,-1.1 0.881 113.6 46.1 -65.6 -40.1 56.6 45.4 7.0 85 86 A V H ><5S+ 0 0 44 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.930 111.6 51.5 -67.6 -45.6 60.2 46.5 6.4 86 87 A R H 3<5S+ 0 0 183 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.729 107.6 52.9 -67.6 -22.8 60.7 44.3 3.4 87 88 A S T 3<5S- 0 0 50 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.429 115.1-117.7 -91.3 0.8 57.5 45.6 1.9 88 89 A G T < 5S+ 0 0 45 -3,-1.7 24,-0.3 2,-0.3 -3,-0.2 0.631 84.3 116.0 78.9 15.6 58.8 49.2 2.3 89 90 A K S - D 0 114B 0 4,-2.0 4,-2.6 -2,-0.4 -20,-0.1 -0.998 23.1-146.7-124.9 127.6 57.5 55.5 7.3 111 112 A E T 4 S+ 0 0 153 -2,-0.4 -1,-0.1 1,-0.2 -22,-0.1 0.915 105.8 41.7 -58.1 -37.4 58.8 57.7 4.5 112 113 A K T 4 S+ 0 0 157 -24,-0.3 -1,-0.2 1,-0.1 -23,-0.1 0.888 128.2 25.6 -74.2 -43.2 55.4 56.9 2.8 113 114 A F T 4 S- 0 0 46 1,-0.3 2,-0.2 -24,-0.3 -2,-0.2 0.540 94.3-141.8-108.8 -10.1 53.0 57.2 5.7 114 115 A G E < +D 110 0B 20 -4,-2.6 -4,-2.0 54,-0.1 2,-0.5 -0.533 65.4 5.0 86.9-148.0 54.8 59.6 8.1 115 116 A E E S+D 109 0B 94 -6,-0.2 54,-1.4 -2,-0.2 2,-0.2 -0.599 82.6 161.8 -78.6 119.8 54.7 59.1 11.9 116 117 A C E -DE 108 168B 0 -8,-3.0 -8,-2.3 -2,-0.5 2,-0.4 -0.705 36.3-126.7-125.3 173.7 52.9 55.9 12.6 117 118 A V E -DE 107 167B 13 50,-2.5 50,-2.6 -10,-0.2 2,-0.5 -0.961 13.7-154.9-118.2 145.3 52.3 53.3 15.3 118 119 A V E -DE 106 166B 0 -12,-2.5 -12,-2.8 -2,-0.4 2,-0.6 -0.995 11.5-156.9-113.4 129.9 52.7 49.6 14.7 119 120 A K E -DE 105 165B 17 46,-2.5 46,-1.9 -2,-0.5 2,-0.6 -0.942 0.4-156.6-111.0 118.7 50.6 47.5 17.1 120 121 A F E -DE 104 164B 1 -16,-3.1 -16,-1.9 -2,-0.6 2,-0.3 -0.850 18.0-135.4 -96.1 122.0 51.8 43.9 17.7 121 122 A H E -D 103 0B 4 42,-3.2 -18,-0.2 -2,-0.6 14,-0.1 -0.590 21.9-177.8 -85.8 136.7 49.0 41.6 18.9 122 123 A K 0 0 43 -20,-2.5 13,-0.2 -2,-0.3 -19,-0.2 0.613 360.0 360.0-100.0 -19.9 49.4 39.2 21.8 123 124 A V 0 0 99 -21,-0.6 -1,-0.1 12,-0.2 12,-0.1 -0.368 360.0 360.0-143.7 360.0 46.2 37.2 22.1 124 ! 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 0.0 125 131 A K 0 0 155 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.8 34.4 25.6 19.7 126 132 A V - 0 0 123 2,-0.0 2,-0.8 0, 0.0 0, 0.0 -0.972 360.0-149.3-118.4 118.9 35.6 24.2 23.0 127 133 A K 0 0 106 -2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.791 360.0 360.0 -86.7 111.8 35.9 26.6 26.0 128 134 A E 0 0 228 -2,-0.8 -2,-0.0 0, 0.0 0, 0.0 -0.615 360.0 360.0 -97.4 360.0 38.7 25.3 28.2 129 ! 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 0.0 130 142 A H > 0 0 69 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 54.5 47.9 28.2 19.1 131 143 A F H > + 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 360.0 44.8 -44.9 -56.5 49.4 31.6 20.2 132 144 A S H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 112.5 49.0 -64.5 -46.0 50.7 32.7 16.8 133 145 A V H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 114.6 46.2 -61.9 -38.9 47.6 31.7 14.7 134 146 A L H X S+ 0 0 93 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.877 112.3 50.1 -71.3 -38.9 45.3 33.5 17.2 135 147 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.895 111.2 48.9 -67.4 -39.8 47.5 36.6 17.3 136 148 A I H X S+ 0 0 29 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.910 110.3 51.5 -63.1 -41.3 47.7 36.8 13.5 137 149 A R H X S+ 0 0 128 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.897 109.2 51.4 -62.3 -39.7 43.9 36.4 13.3 138 150 A S H X S+ 0 0 24 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.921 111.7 46.1 -62.2 -47.8 43.5 39.3 15.8 139 151 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 112.4 50.0 -62.5 -44.2 45.7 41.6 13.8 140 152 A R H X S+ 0 0 67 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.916 110.4 51.4 -65.2 -39.6 44.0 40.7 10.5 141 153 A N H X S+ 0 0 47 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.931 110.3 47.2 -62.1 -46.6 40.6 41.4 12.1 142 154 A E H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.909 113.0 50.2 -58.0 -44.5 41.6 44.8 13.4 143 155 A F H X S+ 0 0 32 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.937 111.3 47.5 -61.6 -45.9 43.1 45.6 10.0 144 156 A R H X S+ 0 0 111 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.901 112.4 49.2 -65.6 -42.6 39.9 44.6 8.2 145 157 A A H X S+ 0 0 2 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.943 111.4 49.6 -58.0 -48.4 37.7 46.5 10.6 146 158 A L H < S+ 0 0 1 -4,-2.7 3,-0.4 1,-0.2 4,-0.3 0.922 110.0 51.3 -61.3 -41.0 39.9 49.6 10.2 147 159 A Q H >< S+ 0 0 105 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.925 109.3 49.9 -58.1 -45.0 39.8 49.3 6.4 148 160 A K H 3< S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.767 113.3 47.6 -66.6 -24.5 35.9 49.1 6.4 149 161 A L T >< S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.4 -1,-0.3 0.282 77.1 140.1-102.0 8.8 35.7 52.2 8.6 150 162 A Q T < + 0 0 61 -3,-1.3 3,-0.1 1,-0.3 6,-0.1 -0.276 66.2 34.2 -62.0 139.6 38.0 54.5 6.7 151 163 A G T 3 S+ 0 0 77 1,-0.5 -1,-0.3 3,-0.2 2,-0.1 0.229 103.4 93.7 96.6 -11.8 36.8 58.0 6.5 152 164 A L S < S- 0 0 32 -3,-2.1 2,-2.2 3,-0.1 -1,-0.5 -0.297 101.7 -67.8 -95.5-170.1 35.2 57.8 10.0 153 165 A A S S+ 0 0 19 -2,-0.1 68,-2.7 -3,-0.1 -3,-0.1 -0.388 99.6 98.0 -83.9 64.5 36.7 58.7 13.4 154 166 A V S S- 0 0 8 -2,-2.2 -3,-0.2 66,-0.2 68,-0.1 -0.923 83.3 -80.3-139.7 162.1 39.4 56.0 13.4 155 167 A P - 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