==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 12-JUN-09 3HTX . COMPND 2 MOLECULE: HEN1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR Y.HUANG,L.-J.JI,Q.-C.HUANG,D.G.VASSYLYEV,X.-M.CHEN,J.-B.MA . 1576 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 82646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1056 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 249 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 7 0.4 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 . 1 0.1 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 . 141 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 395 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.2 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 5 1 3 11 2 7 3 2 1 3 4 5 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 3 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 PARALLEL BRIDGES PER LADDER . 9 5 8 8 3 4 3 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 2 4 0 0 1 1 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 H 0 0 222 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.6 -96.7 98.3 30.6 2 8 A T + 0 0 118 2,-0.0 2,-2.2 0, 0.0 0, 0.0 0.050 360.0 145.6-107.1 24.0 -96.2 102.0 30.2 3 9 A P + 0 0 85 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.426 25.0 172.9 -64.6 90.5 -98.8 103.5 32.5 4 10 A T - 0 0 60 -2,-2.2 2,-0.6 4,-0.0 -2,-0.0 -0.746 13.2-167.9-103.6 83.2 -96.4 106.4 33.4 5 11 A P >> - 0 0 40 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.614 23.1-138.0 -76.1 115.4 -98.5 108.8 35.5 6 12 A K H 3> S+ 0 0 13 -2,-0.6 4,-1.2 1,-0.2 63,-0.1 0.820 102.0 62.4 -39.0 -35.1 -96.5 112.0 35.8 7 13 A A H >> S+ 0 0 22 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.948 98.9 48.2 -59.9 -56.4 -97.7 111.9 39.5 8 14 A I H X> S+ 0 0 95 -3,-0.7 3,-1.5 1,-0.3 4,-0.9 0.880 104.0 65.2 -52.8 -38.9 -95.9 108.7 40.5 9 15 A I H >< S+ 0 0 16 -4,-1.6 3,-1.2 1,-0.3 4,-0.5 0.898 97.5 54.0 -49.8 -45.0 -92.8 110.1 38.9 10 16 A H H X< S+ 0 0 13 -4,-1.2 3,-0.7 -3,-1.0 6,-0.3 0.738 97.7 63.6 -65.4 -22.7 -92.8 112.8 41.5 11 17 A Q H X< S+ 0 0 129 -3,-1.5 3,-1.0 -4,-0.8 -1,-0.3 0.777 94.0 61.7 -71.5 -23.5 -92.9 110.2 44.2 12 18 A K T << S+ 0 0 183 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.718 101.8 53.5 -71.3 -21.5 -89.5 109.1 43.0 13 19 A F T X S- 0 0 106 -3,-0.7 3,-0.7 -4,-0.5 -1,-0.3 -0.231 120.6-104.4-105.7 40.0 -88.2 112.6 43.9 14 20 A G G X - 0 0 42 -3,-1.0 2,-1.9 1,-0.2 3,-0.6 0.330 47.2 -64.0 58.9 167.2 -89.5 112.5 47.5 15 21 A A G 3 S+ 0 0 119 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.1 -0.250 100.2 114.1 -81.0 52.4 -92.5 114.2 48.9 16 22 A K G < + 0 0 124 -2,-1.9 2,-0.7 -3,-0.7 -1,-0.2 0.574 54.5 69.1 -98.5 -17.1 -90.8 117.6 48.1 17 23 A A S < S- 0 0 13 -3,-0.6 2,-0.2 -7,-0.2 34,-0.2 -0.895 75.6-153.0-108.5 103.1 -93.0 119.1 45.4 18 24 A S E -A 50 0A 75 32,-0.9 32,-1.8 -2,-0.7 2,-0.3 -0.516 2.1-142.5 -81.5 139.2 -96.3 120.1 47.0 19 25 A Y E -A 49 0A 63 -2,-0.2 2,-0.4 30,-0.2 30,-0.2 -0.742 15.9-176.5 -99.2 148.0 -99.6 120.2 45.0 20 26 A T E -A 48 0A 73 28,-1.2 28,-2.7 -2,-0.3 2,-0.5 -0.980 17.1-143.9-143.2 127.1 -102.3 122.8 45.6 21 27 A V E -A 47 0A 44 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.808 18.0-170.6 -92.9 133.3 -105.5 122.7 43.7 22 28 A E E -A 46 0A 76 24,-1.7 24,-1.3 -2,-0.5 2,-0.6 -0.983 14.3-138.5-123.7 137.2 -106.9 126.2 42.8 23 29 A E E +A 45 0A 119 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.846 28.8 165.4-103.2 120.4 -110.4 126.8 41.4 24 30 A V E -A 44 0A 50 20,-2.2 20,-2.3 -2,-0.6 2,-0.2 -0.847 29.3-119.0-127.7 163.1 -111.0 129.3 38.6 25 31 A H - 0 0 123 -2,-0.3 18,-0.1 18,-0.2 35,-0.0 -0.680 6.0-156.8-102.1 157.0 -113.8 130.1 36.2 26 32 A D - 0 0 75 -2,-0.2 -1,-0.1 34,-0.0 17,-0.0 0.111 42.4-112.4-119.1 20.5 -113.8 130.0 32.3 27 33 A S S S+ 0 0 118 1,-0.1 4,-0.1 3,-0.1 -2,-0.0 0.929 74.3 134.9 45.9 52.6 -116.6 132.4 31.4 28 34 A S + 0 0 98 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.326 56.1 71.7-106.8 0.2 -118.6 129.5 30.0 29 35 A Q S S- 0 0 83 1,-0.0 0, 0.0 12,-0.0 0, 0.0 -0.872 102.1 -83.4-116.2 149.9 -121.7 130.9 31.8 30 36 A S - 0 0 81 -2,-0.3 2,-0.7 1,-0.1 -2,-0.1 -0.250 42.7-127.1 -54.6 131.3 -123.7 134.0 30.8 31 37 A G + 0 0 66 -4,-0.1 -1,-0.1 594,-0.1 0, 0.0 -0.750 33.9 176.8 -84.9 115.3 -122.2 137.2 32.3 32 38 A C > - 0 0 28 -2,-0.7 3,-1.0 3,-0.1 2,-0.1 -0.807 15.1-153.7-127.9 96.3 -124.8 139.1 34.2 33 39 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.380 75.7 21.3 -68.5 138.4 -123.9 142.3 36.1 34 40 A G T 3 S+ 0 0 70 1,-0.3 2,-0.1 -2,-0.1 750,-0.0 0.082 78.7 138.3 98.1 -22.7 -125.9 143.3 39.1 35 41 A L < - 0 0 35 -3,-1.0 -1,-0.3 1,-0.2 747,-0.2 -0.366 40.0-159.9 -61.5 130.7 -127.5 140.0 40.0 36 42 A A + 0 0 79 745,-2.7 -1,-0.2 -3,-0.1 746,-0.1 0.401 67.3 87.9 -91.7 -0.0 -127.4 139.4 43.7 37 43 A I S S- 0 0 29 744,-0.4 2,-0.4 583,-0.1 -3,-0.0 -0.426 71.0-133.7 -94.3 167.8 -127.8 135.7 43.2 38 44 A P - 0 0 108 0, 0.0 2,-1.1 0, 0.0 583,-0.1 -0.925 8.1-163.7-132.6 112.9 -125.1 133.1 42.7 39 45 A Q - 0 0 82 -2,-0.4 2,-2.1 582,-0.1 -2,-0.0 -0.806 17.0-154.7 -95.5 99.4 -125.1 130.4 40.1 40 46 A K + 0 0 200 -2,-1.1 3,-0.1 3,-0.0 -1,-0.1 -0.488 24.9 175.6 -74.2 72.8 -122.5 128.0 41.5 41 47 A G - 0 0 19 -2,-2.1 -12,-0.0 1,-0.2 -2,-0.0 -0.216 43.6 -68.8 -76.0 171.0 -121.5 126.4 38.2 42 48 A P - 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.334 51.4-143.1 -59.5 137.9 -118.7 123.9 37.9 43 49 A C - 0 0 24 -3,-0.1 2,-0.2 -18,-0.1 -18,-0.2 -0.789 9.8-132.5-102.0 148.7 -115.3 125.5 38.4 44 50 A L E -A 24 0A 27 -20,-2.3 -20,-2.2 -2,-0.3 2,-0.3 -0.579 23.9-134.9 -94.9 164.4 -112.4 124.4 36.4 45 51 A Y E -AB 23 61A 45 16,-4.1 16,-1.0 -22,-0.2 2,-0.3 -0.832 22.3-178.1-126.5 163.0 -109.0 123.7 37.9 46 52 A R E -A 22 0A 90 -24,-1.3 -24,-1.7 -2,-0.3 2,-0.3 -0.961 26.8-128.7-150.8 138.5 -105.3 124.3 37.6 47 53 A C E -A 21 0A 0 -2,-0.3 11,-2.1 12,-0.2 2,-0.5 -0.744 4.3-145.7-104.9 145.2 -102.6 122.8 39.8 48 54 A H E -AC 20 57A 64 -28,-2.7 -28,-1.2 -2,-0.3 2,-0.5 -0.903 16.8-175.1-103.8 121.8 -99.7 124.4 41.7 49 55 A L E -AC 19 56A 3 7,-2.3 7,-2.1 -2,-0.5 2,-1.1 -0.898 8.5-163.2-125.5 104.2 -96.6 122.3 42.0 50 56 A Q E +AC 18 55A 131 -32,-1.8 -32,-0.9 -2,-0.5 5,-0.2 -0.702 13.3 179.6 -89.0 95.2 -93.7 123.7 44.1 51 57 A L - 0 0 42 -2,-1.1 -34,-0.1 3,-1.0 -2,-0.0 -0.652 47.3 -92.8 -90.3 150.9 -90.5 121.8 43.2 52 58 A P S S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.796 116.4 22.0 -24.7 -75.2 -87.3 122.8 45.0 53 59 A E S S+ 0 0 162 1,-0.1 2,-0.1 -3,-0.0 -3,-0.0 0.954 130.1 6.3 -61.8 -94.9 -86.1 125.3 42.4 54 60 A F - 0 0 144 -4,-0.1 -3,-1.0 1,-0.0 2,-0.3 -0.401 67.4-133.5 -90.3 167.7 -88.9 126.6 40.2 55 61 A S E -C 50 0A 72 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.926 16.1-151.3-121.9 146.1 -92.7 126.0 40.5 56 62 A V E -C 49 0A 26 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.4 -0.870 2.1-152.3-118.8 150.8 -95.0 125.1 37.6 57 63 A V E -C 48 0A 63 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.2 -0.979 12.0-134.1-127.8 140.3 -98.7 125.7 37.1 58 64 A S - 0 0 4 -11,-2.1 3,-0.1 -2,-0.4 2,-0.1 -0.507 25.3-129.1 -78.8 152.0 -101.3 123.8 35.1 59 65 A N - 0 0 107 1,-0.2 -12,-0.2 -2,-0.2 -1,-0.1 -0.236 56.9 -39.8 -89.6-172.8 -103.5 125.8 32.8 60 66 A V + 0 0 76 -14,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.132 66.8 171.0 -51.2 140.9 -107.3 125.4 32.9 61 67 A F B -B 45 0A 62 -16,-1.0 -16,-4.1 -3,-0.1 3,-0.0 -0.986 37.4-142.1-153.3 146.4 -108.8 121.9 33.3 62 68 A K S S+ 0 0 174 -2,-0.3 2,-0.5 -18,-0.2 -1,-0.1 0.797 88.6 59.5 -78.3 -31.2 -112.2 120.3 33.9 63 69 A K > - 0 0 133 1,-0.1 4,-2.2 -18,-0.1 5,-0.2 -0.896 67.2-149.6-108.6 124.8 -110.9 117.6 36.2 64 70 A K H > S+ 0 0 105 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.867 105.7 52.9 -51.3 -37.8 -109.0 118.2 39.5 65 71 A K H > S+ 0 0 175 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.896 105.4 49.4 -67.1 -45.6 -107.3 115.0 38.7 66 72 A D H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.891 108.2 55.6 -63.2 -39.9 -106.1 115.8 35.1 67 73 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.959 100.8 55.7 -59.1 -53.4 -104.7 119.1 36.3 68 74 A E H X S+ 0 0 70 -4,-1.6 4,-1.1 1,-0.3 -1,-0.2 0.827 111.5 45.3 -50.2 -34.2 -102.4 117.5 38.9 69 75 A Q H >X S+ 0 0 64 -4,-1.1 4,-2.4 -3,-0.3 3,-0.7 0.941 108.3 58.2 -71.2 -47.7 -101.0 115.4 36.1 70 76 A S H 3X S+ 0 0 12 -4,-2.8 4,-2.0 1,-0.3 -2,-0.2 0.795 103.7 51.4 -50.6 -33.2 -100.7 118.5 33.9 71 77 A A H 3X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -1,-0.3 0.868 113.2 44.2 -73.1 -36.2 -98.5 120.1 36.6 72 78 A A H S+ 0 0 2 -4,-1.5 5,-4.1 2,-0.2 4,-1.1 0.666 109.8 56.6 -90.5 -19.4 -91.1 117.1 33.4 77 83 A D T <5S+ 0 0 80 -4,-1.2 -1,-0.2 3,-0.2 -2,-0.1 0.658 107.4 52.3 -82.3 -17.8 -91.1 118.6 29.9 78 84 A K T 45S+ 0 0 123 -4,-0.4 -2,-0.2 1,-0.1 -1,-0.2 0.708 110.6 47.0 -85.9 -24.2 -89.1 121.5 31.4 79 85 A L T 45S- 0 0 56 -4,-0.4 -2,-0.2 -5,-0.0 -1,-0.1 0.714 125.9-100.3 -86.4 -26.9 -86.6 119.1 32.8 80 86 A G T <5 - 0 0 50 -4,-1.1 -3,-0.2 1,-0.0 -4,-0.1 0.655 55.3 -77.8 112.0 26.4 -86.4 117.2 29.5 81 87 A I S > - 0 0 72 -2,-0.2 4,-1.2 1,-0.1 3,-0.1 -0.723 35.0-121.4 -84.5 138.7 -79.7 98.8 28.4 90 96 A V H >> S+ 0 0 69 -2,-0.4 3,-0.9 1,-0.2 4,-0.8 0.920 110.6 43.1 -52.9 -48.2 -79.9 95.0 28.2 91 97 A D H >> S+ 0 0 102 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.811 105.4 64.9 -68.7 -29.4 -76.7 94.3 29.9 92 98 A E H 3> S+ 0 0 88 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.788 94.0 60.7 -65.1 -24.4 -77.4 96.9 32.5 93 99 A A H < S+ 0 0 108 -4,-1.5 3,-1.3 -3,-0.4 6,-0.4 0.889 107.1 58.4 -72.8 -39.0 -77.2 92.8 48.3 104 110 A I H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 -3,-0.4 -1,-0.2 0.914 108.8 41.8 -57.6 -48.5 -79.8 90.1 49.2 105 111 A F T 3< S+ 0 0 5 -4,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.340 93.9 117.4 -84.0 10.3 -77.2 87.6 50.6 106 112 A S S <> S- 0 0 31 -3,-1.3 4,-0.6 -5,-0.3 -3,-0.1 -0.308 79.6-109.0 -71.3 160.6 -75.5 90.6 52.3 107 113 A D T >4 S+ 0 0 55 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.977 112.4 47.0 -56.2 -64.7 -75.4 90.5 56.1 108 114 A E G >4 S+ 0 0 152 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.864 101.4 64.9 -47.3 -47.5 -77.8 93.3 56.9 109 115 A F G >4 S+ 0 0 7 -6,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.671 80.3 82.7 -53.5 -21.7 -80.6 92.1 54.5 110 116 A L G << S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.6 11,-0.2 0.811 94.5 44.6 -54.5 -35.4 -81.1 89.0 56.5 111 117 A S G < S+ 0 0 57 -3,-1.9 -1,-0.3 -4,-0.3 2,-0.2 -0.045 88.8 129.2-102.7 34.1 -83.3 90.9 58.9 112 118 A A < - 0 0 16 -3,-2.0 -3,-0.0 1,-0.1 -4,-0.0 -0.523 59.8-134.6 -88.2 153.3 -85.3 92.8 56.2 113 119 A E S S+ 0 0 105 -2,-0.2 5,-0.3 4,-0.1 203,-0.3 0.943 73.0 107.1 -69.0 -51.3 -89.1 92.9 56.0 114 120 A H S > S- 0 0 32 1,-0.1 3,-3.7 3,-0.1 4,-0.5 0.045 92.1-104.3 -32.6 124.7 -89.3 92.2 52.3 115 121 A P T >> S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 3,-1.4 0.703 121.3 65.8 -22.5 -47.4 -90.6 88.7 51.7 116 122 A L H 3> S+ 0 0 1 1,-0.3 4,-4.8 2,-0.2 5,-0.4 0.886 91.0 64.0 -48.7 -44.0 -87.1 87.6 50.9 117 123 A G H <> S+ 0 0 0 -3,-3.7 4,-2.1 1,-0.2 -1,-0.3 0.834 107.2 40.9 -49.2 -39.9 -86.1 88.4 54.4 118 124 A A H <> S+ 0 0 2 -3,-1.4 4,-3.0 -4,-0.5 -1,-0.2 0.875 118.0 48.7 -76.6 -40.5 -88.4 85.6 55.7 119 125 A H H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.984 116.9 40.4 -61.7 -58.1 -87.3 83.4 52.8 120 126 A L H X S+ 0 0 4 -4,-4.8 4,-0.8 1,-0.2 -3,-0.2 0.936 118.8 47.5 -54.1 -50.1 -83.5 84.0 53.4 121 127 A R H >X S+ 0 0 16 -4,-2.1 3,-0.8 -5,-0.4 4,-0.5 0.900 112.9 49.3 -57.5 -41.6 -84.1 83.8 57.2 122 128 A A H >< S+ 0 0 2 -4,-3.0 3,-0.9 1,-0.2 -1,-0.2 0.808 99.6 66.7 -68.6 -31.3 -86.1 80.6 56.6 123 129 A A H >< S+ 0 0 1 -4,-2.3 9,-1.4 1,-0.3 3,-1.1 0.772 93.1 59.2 -61.6 -27.7 -83.4 79.2 54.5 124 130 A L H << S+ 0 0 43 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.783 100.9 56.8 -71.6 -26.0 -81.1 79.1 57.6 125 131 A R T << S+ 0 0 92 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 0.346 80.9 115.7 -85.7 3.8 -83.6 76.8 59.2 126 132 A R S < S- 0 0 5 -3,-1.1 109,-0.2 4,-0.2 6,-0.1 -0.580 72.7-104.8 -76.9 139.4 -83.5 74.2 56.4 127 133 A D > - 0 0 60 107,-0.6 3,-1.4 -2,-0.3 4,-0.2 -0.184 67.9 -27.3 -65.5 151.4 -82.1 70.8 57.4 128 134 A G G > S- 0 0 63 1,-0.2 3,-3.2 2,-0.2 -2,-0.1 0.053 126.2 -8.5 45.5-149.0 -78.6 69.5 56.5 129 135 A E G 3 S+ 0 0 166 1,-0.3 -1,-0.2 3,-0.1 55,-0.1 0.591 124.3 76.8 -53.4 -13.4 -76.7 70.7 53.4 130 136 A R G X S+ 0 0 37 -3,-1.4 3,-1.5 2,-0.1 -1,-0.3 0.633 73.2 115.8 -74.5 -11.9 -79.9 72.4 52.5 131 137 A C T < S+ 0 0 51 -3,-3.2 -7,-0.2 1,-0.2 -8,-0.1 -0.228 77.9 9.3 -60.7 146.3 -79.0 75.0 55.1 132 138 A G T 3 S+ 0 0 17 -9,-1.4 56,-0.7 1,-0.2 2,-0.6 0.567 99.8 118.2 63.1 10.0 -78.3 78.6 54.0 133 139 A S E < -D 187 0B 0 -3,-1.5 54,-0.2 -10,-0.6 -1,-0.2 -0.929 47.8-162.2-115.3 118.4 -79.6 77.8 50.5 134 140 A V E -D 186 0B 1 52,-2.6 52,-3.2 -2,-0.6 2,-0.1 -0.748 33.4-106.9 -89.6 142.0 -82.5 79.7 49.0 135 141 A P >> - 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-1.1 -0.457 21.4-121.9 -72.6 145.2 -84.1 77.9 46.0 136 142 A V H >> S+ 0 0 0 1,-0.3 4,-1.4 115,-0.2 3,-0.6 0.894 107.9 62.2 -50.9 -49.0 -83.5 79.5 42.6 137 143 A S H 3> S+ 0 0 0 116,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.731 102.2 52.3 -51.6 -28.8 -87.3 79.9 41.9 138 144 A V H <>>S+ 0 0 0 -3,-1.4 4,-0.9 2,-0.2 5,-0.7 0.863 103.2 55.5 -78.4 -38.6 -87.6 82.3 44.9 139 145 A I H <<5S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.6 7,-0.2 0.806 116.4 39.1 -64.2 -28.6 -84.8 84.6 43.9 140 146 A A H <5S+ 0 0 4 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.836 123.7 36.7 -89.7 -34.6 -86.5 85.1 40.6 141 147 A T H <5S+ 0 0 24 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.977 110.9 48.1 -83.2 -67.2 -90.2 85.2 41.7 142 148 A V T <5S+ 0 0 39 -4,-0.9 2,-0.6 -5,-0.2 -3,-0.1 0.806 104.1 68.2 -46.6 -38.4 -90.6 87.0 45.1 143 149 A D >< - 0 0 2 -5,-0.7 4,-1.1 -4,-0.2 -1,-0.1 -0.790 59.4-168.2 -96.9 120.4 -88.4 89.9 44.0 144 150 A A H > S+ 0 0 67 -2,-0.6 4,-4.2 2,-0.2 5,-0.3 0.745 84.8 69.1 -72.8 -25.3 -89.8 92.2 41.3 145 151 A K H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.983 102.8 45.7 -55.4 -54.3 -86.5 94.0 40.8 146 152 A I H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.886 115.9 48.6 -55.1 -39.7 -85.2 90.8 39.3 147 153 A N H X S+ 0 0 43 -4,-1.1 4,-3.2 2,-0.2 5,-0.3 0.931 106.4 51.3 -69.3 -48.0 -88.4 90.6 37.3 148 154 A S H X S+ 0 0 46 -4,-4.2 4,-1.8 1,-0.2 -1,-0.2 0.957 118.0 42.0 -54.8 -45.9 -88.5 94.1 35.9 149 155 A R H X S+ 0 0 53 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.937 113.4 52.6 -63.7 -46.7 -84.9 93.4 34.8 150 156 A C H X S+ 0 0 0 -4,-3.1 4,-1.1 -5,-0.3 -1,-0.2 0.857 106.2 53.6 -59.0 -37.0 -85.7 89.9 33.6 151 157 A K H >< S+ 0 0 110 -4,-3.2 3,-0.6 1,-0.2 -1,-0.2 0.946 109.2 48.7 -63.0 -47.2 -88.6 91.2 31.5 152 158 A I H 3< S+ 0 0 73 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.863 110.8 49.7 -60.7 -38.8 -86.3 93.7 29.7 153 159 A I H 3< S- 0 0 21 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.724 134.6 -1.3 -73.1 -19.6 -83.6 91.1 29.0 154 160 A N X< - 0 0 26 -4,-1.1 3,-2.0 -3,-0.6 -1,-0.2 -0.544 45.3-168.5-173.2 102.0 -86.3 88.8 27.6 155 161 A P T >> S+ 0 0 101 0, 0.0 3,-1.8 0, 0.0 4,-0.6 0.795 88.1 79.8 -66.4 -18.5 -90.1 89.1 27.2 156 162 A S H 3> S+ 0 0 43 1,-0.3 4,-2.9 2,-0.2 7,-0.1 0.616 74.5 80.6 -60.7 -9.0 -90.0 85.3 26.3 157 163 A V H <4 S+ 0 0 11 -3,-2.0 -1,-0.3 2,-0.2 7,-0.2 0.838 83.7 58.9 -63.5 -39.2 -89.9 84.9 30.2 158 164 A E H <4 S+ 0 0 65 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.931 115.7 33.0 -58.4 -46.9 -93.6 85.5 30.5 159 165 A S H < S+ 0 0 59 -4,-0.6 141,-1.2 1,-0.2 -2,-0.2 0.895 130.1 37.2 -75.1 -41.3 -94.3 82.5 28.2 160 166 A D >< - 0 0 79 -4,-2.9 3,-1.6 -5,-0.1 4,-0.3 -0.811 66.8-177.8-118.7 90.9 -91.2 80.4 29.4 161 167 A P T >> S+ 0 0 13 0, 0.0 4,-0.7 0, 0.0 3,-0.5 0.667 73.9 72.8 -62.9 -21.3 -90.6 80.9 33.2 162 168 A F H 3> S+ 0 0 13 1,-0.2 4,-1.2 2,-0.2 -5,-0.1 0.656 84.8 71.8 -70.3 -13.6 -87.5 78.8 33.4 163 169 A L H <> S+ 0 0 30 -3,-1.6 4,-2.4 1,-0.2 3,-0.4 0.914 89.8 55.0 -68.3 -45.3 -85.7 81.5 31.7 164 170 A A H <> S+ 0 0 5 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.833 106.7 55.3 -57.1 -30.4 -85.7 83.9 34.6 165 171 A I H X S+ 0 0 1 -4,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.871 106.5 48.3 -70.2 -38.9 -84.1 81.1 36.6 166 172 A S H X S+ 0 0 7 -4,-1.2 4,-2.9 -3,-0.4 5,-0.2 0.917 111.9 48.8 -69.6 -41.5 -81.2 80.7 34.1 167 173 A Y H X S+ 0 0 36 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.898 111.2 52.5 -63.5 -37.7 -80.6 84.5 34.1 168 174 A V H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.924 113.3 42.4 -61.9 -46.6 -80.6 84.3 37.9 169 175 A M H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.943 113.0 51.6 -66.1 -48.7 -78.0 81.6 38.0 170 176 A K H X S+ 0 0 99 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.855 110.0 49.4 -58.5 -37.1 -75.8 83.1 35.3 171 177 A A H X S+ 0 0 6 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.3 0.843 109.8 53.3 -71.0 -32.0 -75.8 86.4 37.2 172 178 A A H < S+ 0 0 3 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.877 108.5 48.8 -68.8 -39.2 -74.9 84.5 40.4 173 179 A A H < S+ 0 0 71 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.948 108.1 52.9 -66.5 -48.1 -71.9 82.8 38.7 174 180 A K H < S+ 0 0 160 -4,-2.1 2,-0.8 1,-0.3 -1,-0.2 0.855 114.9 45.0 -57.8 -32.8 -70.5 86.1 37.2 175 181 A L < + 0 0 26 -4,-1.4 3,-0.4 -5,-0.2 -1,-0.3 -0.727 69.3 151.6-111.0 79.5 -70.7 87.4 40.8 176 182 A A + 0 0 46 -2,-0.8 -1,-0.1 -3,-0.4 -2,-0.1 0.300 37.5 107.7 -91.7 9.9 -69.2 84.5 42.6 177 183 A D S S- 0 0 79 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.778 104.9 -6.2 -60.3 -32.2 -67.8 86.8 45.4 178 184 A Y S S+ 0 0 91 -3,-0.4 11,-0.9 11,-0.1 2,-0.5 0.105 119.7 89.0-148.6 19.7 -70.3 85.7 48.1 179 185 A I E -E 188 0B 7 9,-0.2 2,-0.5 -7,-0.2 9,-0.2 -0.976 48.2-176.8-131.3 123.9 -72.6 83.5 46.1 180 186 A V E -E 187 0B 43 7,-3.3 7,-1.6 -2,-0.5 2,-0.4 -0.967 24.4-133.2-119.7 127.0 -72.2 79.8 45.5 181 187 A A E -E 186 0B 65 -2,-0.5 5,-0.2 5,-0.2 -48,-0.0 -0.665 33.8-175.8 -77.5 127.7 -74.6 77.8 43.4 182 188 A S E > -E 185 0B 21 3,-3.1 3,-2.2 -2,-0.4 -52,-0.0 -0.829 44.7-110.0-122.3 161.9 -75.5 74.7 45.3 183 189 A P T 3 S+ 0 0 110 0, 0.0 68,-0.1 0, 0.0 3,-0.1 0.585 123.8 53.7 -66.0 -0.3 -77.5 71.6 44.4 184 190 A H T 3 S- 0 0 37 1,-0.3 2,-0.3 -55,-0.1 66,-0.1 0.157 123.1 -89.2-118.0 15.1 -79.9 73.2 46.9 185 191 A G E < S- E 0 182B 0 -3,-2.2 -3,-3.1 -50,-0.1 2,-0.4 -0.853 73.2 -23.0 116.3-151.1 -80.2 76.7 45.4 186 192 A L E +DE 134 181B 0 -52,-3.2 -52,-2.6 -2,-0.3 2,-0.3 -0.830 63.8 176.5-101.8 144.0 -78.2 79.9 46.0 187 193 A R E -DE 133 180B 88 -7,-1.6 -7,-3.3 -2,-0.4 -54,-0.2 -0.990 33.1-101.8-146.1 152.0 -76.2 80.2 49.1 188 194 A R E - E 0 179B 21 -56,-0.7 -9,-0.2 -2,-0.3 3,-0.1 -0.229 26.1-133.9 -65.4 159.7 -73.8 82.6 50.6 189 195 A K S S+ 0 0 95 -11,-0.9 2,-0.3 1,-0.2 -1,-0.1 0.928 84.9 37.6 -82.6 -47.7 -70.1 81.7 50.5 190 196 A N S S- 0 0 85 -12,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.824 96.3 -88.6-110.3 147.0 -69.2 82.5 54.1 191 197 A A - 0 0 89 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.041 45.6-106.2 -42.6 142.8 -71.1 82.0 57.4 192 198 A Y - 0 0 31 1,-0.1 -1,-0.1 2,-0.1 -86,-0.0 -0.620 53.8 -91.0 -71.8 140.9 -73.3 84.8 58.5 193 199 A P >> - 0 0 58 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.315 37.9-120.5 -52.0 129.9 -71.4 86.4 61.3 194 200 A S H 3> S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.780 108.5 53.3 -42.9 -41.7 -72.6 84.7 64.5 195 201 A E H 3> S+ 0 0 125 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.914 102.9 54.9 -66.8 -43.8 -73.9 87.9 66.1 196 202 A I H <> S+ 0 0 48 -3,-0.7 4,-1.5 1,-0.2 -2,-0.2 0.950 113.0 42.8 -53.3 -52.6 -76.1 89.0 63.2 197 203 A V H X S+ 0 0 47 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.791 114.6 50.0 -66.4 -31.2 -78.0 85.6 63.2 198 204 A E H X S+ 0 0 95 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.914 109.4 51.5 -71.3 -44.0 -78.2 85.6 67.1 199 205 A A H X S+ 0 0 56 -4,-3.4 4,-0.8 1,-0.2 -2,-0.2 0.840 111.4 50.4 -59.2 -31.6 -79.6 89.1 67.0 200 206 A L H >< S+ 0 0 8 -4,-1.5 3,-0.5 -5,-0.3 4,-0.3 0.934 106.5 51.2 -72.9 -47.6 -82.0 87.8 64.5 201 207 A A H >< S+ 0 0 65 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.764 102.5 61.3 -62.8 -29.5 -83.2 84.7 66.5 202 208 A T H 3< S+ 0 0 127 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 110.0 41.2 -63.7 -39.7 -83.9 86.8 69.6 203 209 A H T << S+ 0 0 103 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.349 78.5 129.6 -93.0 4.0 -86.5 88.9 67.8 204 210 A V < - 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