==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-13 4JXJ . COMPND 2 MOLECULE: RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: RICKETTSIA BELLII; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 8.9 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 . 8 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 2 2 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 . 1 1 0 0 0 1 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 0 0 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 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 23 A N 0 0 102 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.6 33.8 2.1 17.3 2 24 A F E -A 163 0A 53 161,-2.4 161,-2.9 162,-0.1 2,-0.3 -0.675 360.0-122.6 -87.3 136.5 35.0 2.3 20.9 3 25 A I E +A 162 0A 20 -2,-0.3 30,-0.5 159,-0.2 159,-0.2 -0.664 36.2 163.1 -79.4 129.1 35.1 5.7 22.6 4 26 A F + 0 0 133 157,-2.2 5,-0.2 -2,-0.3 -1,-0.2 0.705 35.2 111.3 -84.2 -77.2 38.4 7.0 24.0 5 27 A D > - 0 0 65 156,-0.8 4,-2.8 155,-0.2 5,-0.2 0.458 44.9-169.4 -41.7 105.8 38.2 10.5 24.7 6 28 A G H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.923 88.0 43.9 -52.0 -55.0 38.4 10.7 28.5 7 29 A S H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 112.6 54.6 -60.0 -33.8 37.4 14.4 28.7 8 30 A L H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.933 106.3 50.3 -68.5 -42.6 34.8 13.8 26.0 9 31 A C H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.910 110.5 50.4 -59.6 -41.2 33.2 11.0 28.1 10 32 A D H X S+ 0 0 57 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.874 108.0 53.3 -64.7 -35.9 33.2 13.3 31.1 11 33 A K H X S+ 0 0 120 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.866 106.2 52.7 -67.1 -37.4 31.5 16.1 29.0 12 34 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.925 111.1 47.2 -61.0 -44.8 28.7 13.7 28.0 13 35 A V H X>S+ 0 0 4 -4,-2.0 5,-1.1 2,-0.2 4,-0.8 0.905 111.8 49.8 -65.3 -44.0 28.1 12.9 31.6 14 36 A R H ><5S+ 0 0 171 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.940 109.9 51.4 -56.6 -47.5 28.1 16.5 32.6 15 37 A A H 3<5S+ 0 0 28 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 102.2 61.2 -59.0 -38.3 25.6 17.3 29.8 16 38 A S H 3<5S- 0 0 5 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.741 101.7-134.0 -55.7 -27.3 23.3 14.4 31.1 17 39 A G T <<5 + 0 0 49 -3,-1.2 -3,-0.1 -4,-0.8 -2,-0.1 0.677 37.9 179.9 71.5 22.4 22.9 16.3 34.4 18 40 A L < - 0 0 16 -5,-1.1 2,-0.3 1,-0.1 -1,-0.2 -0.304 8.5-160.5 -57.8 128.3 23.5 13.0 36.2 19 41 A E > - 0 0 146 1,-0.1 3,-0.8 -3,-0.1 22,-0.1 -0.760 29.7 -78.6-108.9 160.0 23.4 13.4 40.0 20 42 A E T 3 S+ 0 0 148 -2,-0.3 22,-0.2 1,-0.2 -1,-0.1 -0.153 109.5 23.1 -49.9 143.7 24.8 11.1 42.6 21 43 A N T 3 S+ 0 0 99 21,-2.1 -1,-0.2 20,-0.5 21,-0.1 0.716 87.8 146.8 71.5 26.7 23.0 8.0 43.6 22 44 A S < - 0 0 28 -3,-0.8 22,-2.1 19,-0.3 23,-1.7 -0.313 53.8-115.7 -87.1 170.8 21.1 7.6 40.3 23 45 A N E -bc 45 89B 13 65,-0.6 67,-2.8 21,-0.2 2,-0.3 -0.959 42.6-172.8-107.0 111.4 19.9 4.5 38.4 24 46 A V E -bc 46 90B 2 21,-3.3 23,-2.5 -2,-0.6 2,-0.4 -0.850 18.5-161.2-117.9 146.8 21.7 4.4 35.1 25 47 A L E -bc 47 91B 4 65,-2.3 67,-2.1 -2,-0.3 2,-0.4 -0.997 9.4-177.8-123.5 132.0 21.5 2.3 31.9 26 48 A E E -b 48 0B 4 21,-2.7 23,-1.9 -2,-0.4 2,-0.4 -0.997 12.2-151.4-126.8 133.9 24.3 2.1 29.3 27 49 A I E S+b 49 0B 8 -2,-0.4 67,-0.4 67,-0.3 23,-0.2 -0.854 75.1 0.7-102.0 140.1 24.1 0.1 26.0 28 50 A G - 0 0 27 21,-2.9 -1,-0.2 -2,-0.4 22,-0.2 0.963 65.9-177.1 54.8 58.4 27.3 -1.3 24.3 29 51 A P > - 0 0 6 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.742 15.8-179.6 -62.7 -20.0 29.8 -0.0 26.9 30 52 A G T 3 - 0 0 5 1,-0.3 29,-0.2 2,-0.1 -28,-0.1 -0.361 67.9 -4.6 63.2-125.7 32.6 -1.5 24.7 31 53 A T T 3 S- 0 0 53 -3,-0.1 -1,-0.3 -28,-0.1 -29,-0.0 0.330 105.9-105.1 -90.1 7.8 35.9 -0.9 26.3 32 54 A G S <> S+ 0 0 0 -3,-2.4 4,-2.5 -4,-0.1 5,-0.2 0.477 75.2 131.0 97.3 5.1 34.4 1.2 29.1 33 55 A G H > S+ 0 0 15 -30,-0.5 4,-1.6 -4,-0.3 5,-0.1 0.939 85.8 33.2 -59.7 -53.7 35.2 4.9 28.5 34 56 A L H > S+ 0 0 2 -5,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.877 114.4 62.4 -68.1 -38.4 31.7 6.3 29.1 35 57 A T H > S+ 0 0 0 -6,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.912 104.8 46.0 -51.2 -48.0 31.1 3.6 31.7 36 58 A R H X S+ 0 0 85 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.931 110.6 52.8 -68.2 -40.3 34.0 5.0 33.9 37 59 A S H < S+ 0 0 6 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.906 111.0 47.6 -59.0 -39.2 32.8 8.6 33.5 38 60 A I H >< S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.2 -2,-0.2 0.963 110.0 52.3 -65.8 -47.5 29.3 7.5 34.6 39 61 A L H >< S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.758 95.3 69.7 -63.6 -25.3 30.7 5.6 37.6 40 62 A H T 3< S+ 0 0 118 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.697 93.3 59.1 -64.6 -20.2 32.7 8.7 38.6 41 63 A K T < S- 0 0 87 -3,-2.4 -20,-0.5 -4,-0.4 -19,-0.3 0.238 111.1-123.4 -91.7 9.4 29.2 10.2 39.6 42 64 A N < - 0 0 98 -3,-1.8 -21,-2.1 -22,-0.2 -3,-0.1 0.891 35.0-166.9 59.3 51.7 28.6 7.4 42.1 43 65 A P - 0 0 4 0, 0.0 3,-0.2 0, 0.0 -20,-0.2 -0.278 28.5-126.1 -64.6 156.4 25.3 6.0 40.8 44 66 A K S S+ 0 0 123 -22,-2.1 2,-0.3 1,-0.3 -21,-0.2 0.876 95.9 3.1 -65.2 -39.2 23.3 3.6 42.9 45 67 A L E -b 23 0B 45 -23,-1.7 -21,-3.3 2,-0.1 2,-0.5 -0.975 59.5-167.7-151.9 130.5 23.3 1.2 40.0 46 68 A L E -bd 24 69B 0 22,-2.9 24,-3.3 -2,-0.3 2,-0.5 -0.983 14.2-167.6-116.7 114.9 24.9 1.2 36.6 47 69 A T E -bd 25 70B 5 -23,-2.5 -21,-2.7 -2,-0.5 2,-0.4 -0.904 2.9-166.5-102.1 129.4 23.5 -1.5 34.4 48 70 A V E -bd 26 71B 0 22,-3.0 24,-3.5 -2,-0.5 2,-0.6 -0.951 11.0-151.8-119.6 138.4 25.4 -2.2 31.1 49 71 A I E +bd 27 72B 9 -23,-1.9 -21,-2.9 -2,-0.4 2,-0.3 -0.952 30.8 158.6-112.1 113.7 24.1 -4.3 28.2 50 72 A E + 0 0 14 22,-2.6 25,-0.1 -2,-0.6 -2,-0.1 -0.998 27.0 170.2-144.3 135.8 26.9 -5.9 26.2 51 73 A T + 0 0 96 -2,-0.3 2,-0.5 22,-0.2 -1,-0.1 0.606 50.6 108.0-112.4 -24.3 27.2 -8.8 23.9 52 74 A D >> - 0 0 44 1,-0.2 3,-1.1 2,-0.1 4,-0.7 -0.413 54.7-158.4 -64.1 113.7 30.8 -8.4 22.5 53 75 A E G >4 S+ 0 0 74 -2,-0.5 3,-1.1 1,-0.3 -1,-0.2 0.896 88.8 64.4 -59.3 -40.9 32.8 -11.2 24.2 54 76 A R G 34 S+ 0 0 189 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.809 104.5 47.6 -50.6 -33.7 36.1 -9.3 23.6 55 77 A C G <> S+ 0 0 5 -3,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.615 90.3 78.4 -86.9 -20.0 34.8 -6.5 25.9 56 78 A I H S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.907 108.8 44.5 -49.0 -47.1 36.8 -9.2 30.7 58 80 A L H > S+ 0 0 67 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.914 114.0 51.3 -62.0 -41.2 37.6 -5.4 31.1 59 81 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.853 109.7 49.2 -61.8 -38.8 33.9 -4.9 32.2 60 82 A N H X S+ 0 0 85 -4,-3.5 4,-1.3 2,-0.2 -1,-0.2 0.883 111.5 50.3 -63.0 -41.4 34.4 -7.7 34.8 61 83 A E H X S+ 0 0 85 -4,-2.3 4,-0.8 -5,-0.3 3,-0.3 0.908 109.0 50.6 -64.1 -42.9 37.6 -6.0 36.0 62 84 A I H >X S+ 0 0 7 -4,-2.8 3,-1.5 1,-0.2 4,-1.4 0.944 106.0 56.1 -59.6 -46.5 35.8 -2.7 36.3 63 85 A K H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 6,-0.2 0.835 95.4 67.4 -55.9 -33.0 33.1 -4.4 38.3 64 86 A Q H 3< S+ 0 0 138 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.846 112.7 31.1 -58.4 -34.0 35.8 -5.6 40.8 65 87 A Y H << S+ 0 0 155 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.597 125.1 48.8 -95.0 -13.5 36.4 -2.0 41.8 66 88 A H >< + 0 0 54 -4,-1.4 3,-2.3 -5,-0.2 -1,-0.2 -0.752 57.6 178.5-131.7 84.0 32.7 -0.9 41.2 67 89 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.672 79.9 69.8 -60.2 -20.1 30.2 -3.2 42.9 68 90 A N T 3 S+ 0 0 38 -25,-0.1 -22,-2.9 -23,-0.1 2,-0.5 0.366 77.8 103.0 -76.3 3.0 27.4 -0.9 41.6 69 91 A L E < -d 46 0B 1 -3,-2.3 2,-0.5 -6,-0.2 -22,-0.2 -0.806 53.4-170.9 -88.3 127.3 28.2 -2.1 38.1 70 92 A N E -d 47 0B 53 -24,-3.3 -22,-3.0 -2,-0.5 2,-0.5 -0.977 6.6-156.5-120.4 122.7 25.7 -4.7 36.8 71 93 A I E -d 48 0B 40 -2,-0.5 2,-0.5 -24,-0.2 -22,-0.2 -0.892 9.5-175.1-109.6 124.3 26.6 -6.4 33.5 72 94 A I E -d 49 0B 57 -24,-3.5 -22,-2.6 -2,-0.5 2,-1.1 -0.968 14.6-154.4-120.4 121.9 23.9 -8.0 31.2 73 95 A K + 0 0 75 -2,-0.5 2,-0.3 -24,-0.2 -22,-0.2 -0.722 50.3 117.7 -94.6 84.7 24.9 -9.9 28.1 74 96 A Q S S- 0 0 37 -2,-1.1 2,-0.3 5,-0.0 -2,-0.1 -0.962 71.8 -88.0-144.4 158.2 21.8 -9.6 25.9 75 97 A D >> - 0 0 53 -2,-0.3 3,-1.2 1,-0.1 4,-0.6 -0.528 32.9-138.6 -66.6 130.9 20.8 -8.1 22.5 76 98 A A G >4 S+ 0 0 16 1,-0.3 3,-1.2 -2,-0.3 -1,-0.1 0.894 103.7 55.9 -62.2 -38.9 19.8 -4.4 23.0 77 99 A L G 34 S+ 0 0 67 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.681 106.3 52.4 -66.9 -17.4 16.9 -4.8 20.6 78 100 A K G <4 S+ 0 0 71 -3,-1.2 2,-0.5 2,-0.0 -1,-0.2 0.523 89.2 97.5 -94.3 -9.1 15.6 -7.7 22.8 79 101 A L << - 0 0 23 -3,-1.2 2,-0.4 -4,-0.6 3,-0.1 -0.714 54.9-162.2 -84.3 126.2 15.7 -5.7 26.1 80 102 A K > - 0 0 23 -2,-0.5 3,-1.8 1,-0.1 4,-0.3 -0.882 23.6-133.3 -90.3 137.1 12.5 -4.1 27.4 81 103 A L G > S+ 0 0 2 -2,-0.4 3,-2.2 1,-0.3 5,-0.4 0.892 108.4 65.5 -54.8 -35.8 13.3 -1.5 30.0 82 104 A S G > S+ 0 0 68 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.728 90.4 66.1 -58.0 -23.5 10.5 -3.1 32.0 83 105 A D G < S+ 0 0 99 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.621 86.6 69.3 -71.0 -17.9 12.8 -6.2 32.2 84 106 A L G < S- 0 0 33 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.543 94.4-139.8 -79.8 -7.8 15.4 -4.2 34.3 85 107 A N < + 0 0 143 -3,-0.9 2,-0.3 -4,-0.2 -3,-0.1 0.847 64.1 103.5 53.4 37.6 13.0 -4.2 37.3 86 108 A T - 0 0 43 -5,-0.4 3,-0.2 -63,-0.0 2,-0.2 -0.980 56.2-141.0-146.0 162.7 13.9 -0.5 38.2 87 109 A N S S+ 0 0 105 -2,-0.3 26,-0.1 1,-0.2 27,-0.1 -0.580 73.7 36.4-114.5 173.2 12.4 2.9 37.9 88 110 A K S S- 0 0 158 24,-0.3 -65,-0.6 1,-0.2 2,-0.4 0.886 75.9-169.5 51.9 48.0 13.7 6.4 37.1 89 111 A I E -ce 23 114B 1 24,-2.9 26,-2.9 -3,-0.2 27,-0.9 -0.582 13.8-157.5 -76.4 124.0 16.2 5.1 34.6 90 112 A T E -ce 24 116B 13 -67,-2.8 -65,-2.3 -2,-0.4 2,-0.6 -0.942 11.3-154.7 -99.1 114.6 18.7 7.6 33.4 91 113 A I E +ce 25 117B 0 25,-2.5 27,-2.6 -2,-0.7 2,-0.4 -0.836 20.2 170.1 -94.3 120.3 20.0 6.3 30.0 92 114 A I E + e 0 118B 0 -67,-2.1 2,-0.3 -2,-0.6 27,-0.2 -0.980 27.7 133.7-128.4 117.9 23.5 7.6 29.1 93 115 A S E - e 0 119B 1 25,-1.8 27,-2.5 -2,-0.4 2,-0.3 -0.991 56.3-128.3-166.5 141.1 24.8 5.8 26.1 94 116 A N E - e 0 120B 32 -67,-0.4 -67,-0.3 -2,-0.3 27,-0.2 -0.747 42.0-137.1 -76.2 145.5 26.5 5.6 22.8 95 117 A L - 0 0 8 25,-1.9 2,-0.1 -2,-0.3 5,-0.1 -0.921 15.6-109.1-110.5 139.6 24.4 3.6 20.4 96 118 A P >> - 0 0 32 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.434 32.9-126.6 -55.4 130.5 25.5 1.0 17.9 97 119 A Y T 34 S+ 0 0 66 1,-0.3 4,-0.2 2,-0.2 3,-0.1 0.724 103.1 63.0 -63.0 -22.8 25.1 2.6 14.5 98 120 A H T 34 S+ 0 0 160 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.823 119.5 18.7 -66.6 -30.1 23.0 -0.3 13.2 99 121 A I T <> S+ 0 0 28 -3,-1.5 4,-2.4 1,-0.1 5,-0.2 0.268 81.7 116.6-134.0 12.7 20.1 0.1 15.6 100 122 A G H X S+ 0 0 9 -4,-0.8 4,-2.4 1,-0.2 5,-0.2 0.888 83.2 45.5 -53.8 -50.3 20.2 3.6 17.2 101 123 A T H > S+ 0 0 39 1,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.905 112.5 52.0 -62.6 -44.8 16.9 4.8 15.8 102 124 A E H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.848 111.1 47.4 -60.8 -39.4 15.2 1.5 16.8 103 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.903 108.6 53.4 -70.2 -43.3 16.4 1.8 20.3 104 126 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.950 112.1 45.2 -56.5 -47.5 15.4 5.4 20.7 105 127 A I H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.931 112.6 51.7 -63.4 -44.6 11.8 4.6 19.6 106 128 A R H X S+ 0 0 94 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.904 112.5 45.1 -56.7 -46.6 11.7 1.5 21.9 107 129 A W H >< S+ 0 0 4 -4,-2.7 3,-1.1 2,-0.2 6,-0.2 0.930 110.7 53.0 -66.1 -42.9 12.9 3.5 24.9 108 130 A L H >< S+ 0 0 1 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.887 102.5 59.3 -61.8 -37.3 10.5 6.4 24.2 109 131 A K H 3< S+ 0 0 71 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.764 111.7 40.9 -59.7 -29.8 7.6 3.9 24.1 110 132 A E T X< S+ 0 0 41 -3,-1.1 3,-2.0 -4,-0.8 -1,-0.3 -0.161 76.9 136.2-104.8 35.9 8.6 3.0 27.7 111 133 A S G X + 0 0 8 -3,-2.0 3,-2.2 1,-0.3 -1,-0.1 0.766 56.1 75.2 -58.8 -24.3 9.1 6.6 28.6 112 134 A S G 3 S+ 0 0 107 1,-0.3 -24,-0.3 -3,-0.2 -1,-0.3 0.752 97.8 47.1 -58.2 -26.1 7.2 6.1 32.0 113 135 A L G < S+ 0 0 30 -3,-2.0 -24,-2.9 -6,-0.2 2,-0.5 0.434 100.0 92.5 -90.1 -2.1 10.3 4.2 33.3 114 136 A V E < -e 89 0B 14 -3,-2.2 -24,-0.2 -26,-0.2 3,-0.1 -0.817 45.6-177.1-110.1 126.6 12.7 6.9 32.1 115 137 A A E S- 0 0 47 -26,-2.9 2,-0.3 -2,-0.5 -25,-0.2 0.930 75.3 -43.5 -74.3 -54.3 14.1 9.9 33.9 116 138 A S E -e 90 0B 17 -27,-0.9 -25,-2.5 60,-0.1 -1,-0.4 -0.960 48.9-131.3-165.3 168.3 16.0 11.2 30.9 117 139 A M E -eF 91 175B 0 58,-2.0 58,-3.2 -2,-0.3 2,-0.5 -0.995 11.6-175.2-134.8 130.6 18.3 10.0 28.0 118 140 A T E +eF 92 174B 0 -27,-2.6 -25,-1.8 -2,-0.4 2,-0.4 -0.997 26.7 178.1-120.7 112.1 21.6 11.5 26.9 119 141 A L E -eF 93 173B 0 54,-3.0 54,-2.9 -2,-0.5 2,-0.5 -0.937 31.0-143.2-129.0 144.2 22.6 9.6 23.8 120 142 A M E +eF 94 172B 1 -27,-2.5 -25,-1.9 -2,-0.4 2,-0.3 -0.936 38.9 150.9-105.6 123.2 25.5 9.7 21.3 121 143 A L E - 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0 0 82 0, 0.0 -5,-0.1 0, 0.0 -2,-0.1 -0.495 19.7-127.7 -77.2 139.9 37.4 6.1 13.9 166 188 A P - 0 0 22 0, 0.0 -4,-0.1 0, 0.0 4,-0.1 -0.320 18.6-122.2 -70.5 167.1 33.9 6.1 12.3 167 189 A K S S+ 0 0 105 2,-0.1 2,-0.3 -2,-0.0 0, 0.0 0.642 89.5 52.2 -83.7 -15.0 33.6 7.7 8.8 168 190 A V S S- 0 0 64 -9,-0.1 2,-0.1 -10,-0.1 0, 0.0 -0.825 88.9 -94.7-125.2 158.9 30.8 10.1 10.0 169 191 A Y - 0 0 123 -2,-0.3 -46,-2.6 -11,-0.1 -45,-0.4 -0.436 32.2-157.2 -68.5 136.6 30.1 12.6 12.8 170 192 A S E -FG 122 157B 12 -13,-2.6 -13,-3.0 -48,-0.3 2,-0.3 -0.588 9.8-166.4 -94.6 170.5 28.3 11.6 15.9 171 193 A A E -FG 121 156B 0 -50,-3.0 -50,-2.8 -15,-0.3 2,-0.5 -0.984 20.2-115.9-156.2 163.5 26.5 14.0 18.2 172 194 A I E -FG 120 155B 0 -17,-2.8 -18,-3.0 -2,-0.3 -17,-0.8 -0.860 29.7-178.1-104.6 130.5 24.9 14.1 21.6 173 195 A V E -FG 119 153B 0 -54,-2.9 -54,-3.0 -2,-0.5 2,-0.4 -0.990 14.4-149.9-129.4 138.9 21.2 14.5 22.1 174 196 A K E -FG 118 152B 36 -22,-3.4 -22,-2.3 -2,-0.4 2,-0.5 -0.903 11.2-171.2-108.7 133.7 19.2 14.8 25.3 175 197 A L E -FG 117 151B 0 -58,-3.2 -58,-2.0 -2,-0.4 -24,-0.2 -0.993 2.6-175.8-124.6 123.2 15.6 13.5 25.5 176 198 A T E - G 0 150B 54 -26,-2.5 -26,-3.0 -2,-0.5 -60,-0.1 -0.970 31.8-115.5-122.1 118.0 13.4 14.2 28.5 177 199 A P E - G 0 149B 28 0, 0.0 -28,-0.3 0, 0.0 2,-0.1 -0.123 35.1-109.2 -55.0 142.8 9.9 12.7 28.5 178 200 A L - 0 0 63 -30,-3.1 3,-0.1 1,-0.1 -31,-0.0 -0.376 19.7-119.8 -70.2 154.7 7.1 15.2 28.4 179 201 A E S S+ 0 0 193 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.814 107.1 37.3 -67.2 -33.8 5.0 15.7 31.5 180 202 A N S S+ 0 0 140 -32,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.988 78.5 177.8-116.3 124.2 1.9 14.7 29.6 181 203 A I - 0 0 77 -2,-0.5 -33,-0.1 -3,-0.1 3,-0.1 -0.891 31.3-106.3-124.0 155.5 2.4 11.9 27.0 182 204 A P - 0 0 26 0, 0.0 -1,-0.0 0, 0.0 2,-0.0 -0.317 50.9 -87.1 -74.0 161.7 -0.1 10.1 24.7 183 205 A N > - 0 0 95 1,-0.1 4,-1.9 4,-0.0 3,-0.3 -0.356 34.1-113.9 -71.6 152.6 -1.1 6.6 25.5 184 206 A S H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.770 113.1 62.6 -53.5 -35.4 1.0 3.7 24.3 185 207 A D H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.965 107.3 42.3 -57.0 -52.3 -1.8 2.5 22.1 186 208 A L H > S+ 0 0 32 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.868 112.7 53.0 -65.7 -38.7 -1.8 5.7 20.0 187 209 A I H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.894 106.5 54.0 -63.4 -41.1 2.0 5.9 19.9 188 210 A S H X S+ 0 0 47 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.920 111.3 45.5 -59.4 -42.4 2.1 2.3 18.5 189 211 A K H X S+ 0 0 79 -4,-1.8 4,-3.1 2,-0.2 3,-0.2 0.914 110.7 52.7 -67.0 -41.4 -0.3 3.3 15.8 190 212 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.881 103.4 59.5 -57.4 -42.6 1.7 6.5 15.0 191 213 A E H X S+ 0 0 39 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.898 114.2 35.0 -51.6 -47.0 4.8 4.4 14.7 192 214 A L H X S+ 0 0 114 -4,-1.3 4,-1.8 -3,-0.2 5,-0.2 0.898 115.6 54.5 -79.6 -44.4 3.3 2.3 11.9 193 215 A I H X S+ 0 0 3 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.900 109.0 48.7 -53.2 -45.1 1.3 5.1 10.3 194 216 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.812 104.3 60.3 -71.9 -27.6 4.4 7.3 9.9 195 217 A K H < S+ 0 0 49 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.897 114.2 36.6 -62.8 -42.8 6.4 4.4 8.4 196 218 A M H >< S+ 0 0 67 -4,-1.8 3,-1.6 2,-0.2 4,-0.4 0.952 116.9 52.2 -70.2 -49.6 3.9 4.3 5.5 197 219 A A H >< S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.3 34,-0.4 0.904 116.5 38.6 -55.3 -46.7 3.3 8.0 5.4 198 220 A F T 3< S+ 0 0 45 -4,-2.4 -1,-0.3 1,-0.2 3,-0.2 0.336 81.1 104.2 -89.0 5.1 7.0 8.8 5.1 199 221 A A T < S+ 0 0 89 -3,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.881 100.3 13.1 -56.7 -36.9 8.0 5.9 2.8 200 222 A G S X S- 0 0 31 -3,-0.5 3,-1.1 -4,-0.4 31,-0.3 -0.993 71.7-141.6-135.3 138.9 8.1 8.6 0.0 201 223 A R T 3 S+ 0 0 66 -2,-0.3 31,-0.3 1,-0.2 -2,-0.1 0.684 98.8 54.4 -68.4 -22.2 8.1 12.4 0.5 202 224 A R T 3 S+ 0 0 212 28,-0.1 2,-0.3 29,-0.1 -1,-0.2 0.576 83.3 110.0 -89.0 -5.4 5.9 13.2 -2.5 203 225 A K < - 0 0 106 -3,-1.1 28,-1.0 -6,-0.2 2,-0.1 -0.502 65.9-129.4 -86.4 133.1 3.1 10.9 -1.6 204 226 A M B >> -H 230 0C 40 -2,-0.3 4,-2.7 26,-0.2 3,-1.3 -0.467 19.8-124.0 -67.8 146.4 -0.2 12.3 -0.5 205 227 A I H 3> S+ 0 0 0 24,-2.5 4,-2.3 1,-0.3 5,-0.2 0.868 111.8 61.3 -58.4 -37.1 -1.5 10.9 2.7 206 228 A K H 34 S+ 0 0 55 23,-0.5 -1,-0.3 21,-0.4 11,-0.2 0.681 112.6 39.2 -71.1 -11.8 -4.7 9.9 1.0 207 229 A S H X4 S+ 0 0 63 -3,-1.3 3,-1.4 2,-0.1 4,-0.4 0.864 115.5 47.2 -94.8 -55.3 -2.6 7.6 -1.2 208 230 A S H 3< S+ 0 0 17 -4,-2.7 4,-0.3 1,-0.3 3,-0.2 0.802 120.9 38.4 -58.3 -31.6 0.0 6.3 1.3 209 231 A L T 3X S+ 0 0 0 -4,-2.3 4,-3.3 -5,-0.2 -1,-0.3 0.380 86.8 101.2-100.7 6.1 -2.6 5.4 3.9 210 232 A K T <4 S+ 0 0 115 -3,-1.4 -1,-0.2 2,-0.2 6,-0.2 0.854 80.9 49.3 -63.0 -40.3 -5.3 4.2 1.4 211 233 A N T 4 S+ 0 0 152 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.967 118.3 40.7 -63.7 -47.2 -4.6 0.4 2.0 212 234 A L T 4 S+ 0 0 79 1,-0.3 -2,-0.2 -4,-0.3 -1,-0.2 0.889 132.3 22.7 -66.2 -40.9 -4.7 0.9 5.7 213 235 A A >< - 0 0 3 -4,-3.3 3,-1.9 1,-0.1 -1,-0.3 -0.863 60.5-177.0-136.0 94.8 -7.7 3.3 5.7 214 236 A P T 3 S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.800 91.6 51.7 -61.3 -28.7 -9.9 3.1 2.6 215 237 A N T >> S+ 0 0 71 1,-0.2 4,-1.7 2,-0.1 3,-0.9 0.093 71.2 128.2 -94.2 19.6 -11.9 6.0 4.0 216 238 A I H <> + 0 0 2 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.817 68.8 56.8 -48.6 -39.2 -8.8 8.1 4.6 217 239 A S H 3> S+ 0 0 48 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.910 106.7 51.0 -62.0 -38.0 -10.3 11.2 2.7 218 240 A E H <> S+ 0 0 142 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.896 110.8 47.7 -60.8 -43.2 -13.3 11.0 5.2 219 241 A L H X S+ 0 0 19 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.911 109.5 51.9 -69.8 -41.5 -10.9 11.0 8.2 220 242 A L H <>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 -1,-0.2 0.905 111.7 48.6 -59.3 -39.3 -8.8 13.9 6.8 221 243 A A H ><5S+ 0 0 64 -4,-1.9 3,-1.1 3,-0.2 -2,-0.2 0.893 107.4 54.0 -67.7 -39.8 -12.1 15.8 6.4 222 244 A K H 3<5S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 113.8 43.2 -61.1 -34.3 -13.2 15.0 10.0 223 245 A L T 3<5S- 0 0 49 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.389 112.6-122.9 -90.5 0.8 -9.9 16.4 11.1 224 246 A N T < 5 + 0 0 150 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.829 62.1 145.4 57.3 36.7 -10.2 19.4 8.8 225 247 A I < - 0 0 28 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.811 60.1 -88.8 -98.2 145.8 -6.9 18.6 7.1 226 248 A S > - 0 0 73 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 -0.210 25.4-136.1 -49.1 136.7 -6.3 19.2 3.4 227 249 A D T 3 S+ 0 0 67 1,-0.2 -21,-0.4 -22,-0.1 -1,-0.2 0.696 106.6 51.8 -65.9 -19.4 -7.3 16.3 1.3 228 250 A N T 3 S+ 0 0 79 -23,-0.1 -1,-0.2 -24,-0.1 -2,-0.1 0.315 80.3 137.2-103.2 11.6 -4.0 16.9 -0.6 229 251 A C < - 0 0 5 -3,-1.3 -24,-2.5 -25,-0.1 -23,-0.5 -0.119 39.7-150.5 -57.5 149.1 -1.7 16.9 2.4 230 252 A R B >> -H 204 0C 92 -26,-0.3 3,-2.2 -25,-0.1 4,-0.7 -0.819 33.3 -96.8-116.3 164.5 1.6 15.1 2.1 231 253 A A G >4 S+ 0 0 0 -28,-1.0 3,-1.0 -34,-0.4 -33,-0.1 0.811 121.3 53.7 -53.4 -42.3 3.5 13.5 5.1 232 254 A E G 34 S+ 0 0 95 -31,-0.3 -98,-0.8 1,-0.2 -1,-0.3 0.622 102.1 62.0 -68.9 -14.8 5.8 16.5 5.7 233 255 A N G <4 S+ 0 0 91 -3,-2.2 2,-0.3 -100,-0.1 -1,-0.2 0.706 87.6 85.2 -81.8 -26.2 2.8 18.8 5.9 234 256 A L S << S- 0 0 2 -3,-1.0 -100,-0.2 -4,-0.7 -9,-0.0 -0.608 73.0-136.0 -83.0 140.0 1.3 17.1 9.0 235 257 A T > - 0 0 53 -2,-0.3 4,-1.7 -102,-0.1 5,-0.2 -0.333 31.3-100.8 -80.3 172.1 2.4 18.0 12.5 236 258 A P H > S+ 0 0 17 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.934 126.7 52.5 -61.2 -38.5 3.1 15.4 15.2 237 259 A N H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.854 102.4 58.4 -62.5 -36.8 -0.4 16.1 16.7 238 260 A D H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 106.6 48.9 -57.5 -43.9 -2.0 15.5 13.2 239 261 A Y H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.846 109.5 51.5 -66.4 -34.9 -0.5 12.0 13.2 240 262 A L H X S+ 0 0 35 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.939 109.5 50.6 -65.4 -43.8 -1.8 11.4 16.7 241 263 A S H < S+ 0 0 43 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.891 110.5 49.0 -57.6 -46.9 -5.2 12.5 15.6 242 264 A L H >X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-1.3 0.885 107.8 54.7 -58.2 -45.3 -5.1 10.2 12.6 243 265 A A H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.854 104.0 54.9 -57.0 -36.0 -4.0 7.3 14.9 244 266 A S T 3< S+ 0 0 70 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.643 114.5 40.8 -76.2 -11.0 -7.1 7.8 17.1 245 267 A L T <4 0 0 67 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.619 360.0 360.0-109.5 -27.0 -9.4 7.5 14.0 246 268 A I < 0 0 69 -4,-2.1 -1,-0.1 -5,-0.1 -33,-0.0 -0.715 360.0 360.0 -75.3 360.0 -7.7 4.7 12.2