==== 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 18-NOV-09 3KR9 . COMPND 2 MOLECULE: SAM-DEPENDENT METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.H.TA,K.K.KIM . 222 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 7.2 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 . 1 0.5 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 1 1 0 2 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 2 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 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 A M 0 0 104 0, 0.0 2,-0.4 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 -11.8 46.1 22.2 33.7 2 2 A I - 0 0 22 26,-0.1 0, 0.0 27,-0.1 0, 0.0 -0.925 360.0-120.8-116.1 146.3 43.0 21.5 31.6 3 3 A S > - 0 0 54 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 0.041 35.6-100.4 -57.3 166.8 42.4 21.4 27.9 4 4 A K H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.884 122.9 58.5 -63.7 -40.7 40.0 23.7 25.9 5 5 A R H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.981 113.4 35.7 -50.2 -61.3 37.5 20.8 25.8 6 6 A L H > S+ 0 0 23 1,-0.2 4,-3.5 2,-0.2 -2,-0.2 0.803 112.9 59.4 -67.9 -32.1 37.4 20.6 29.7 7 7 A E H X S+ 0 0 68 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.905 106.7 48.1 -59.1 -42.3 37.7 24.3 30.0 8 8 A L H >< S+ 0 0 53 -4,-2.4 3,-0.5 -3,-0.2 4,-0.4 0.916 112.4 48.1 -62.9 -43.1 34.5 24.6 28.0 9 9 A V H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 4,-0.4 0.959 109.2 56.5 -56.2 -48.6 32.9 21.9 30.3 10 10 A A H >< S+ 0 0 0 -4,-3.5 3,-1.3 1,-0.3 -1,-0.2 0.721 93.9 66.3 -52.3 -33.2 34.2 24.0 33.2 11 11 A S T << S+ 0 0 79 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.702 98.4 53.0 -76.1 -14.4 32.4 27.1 32.1 12 12 A F T < S+ 0 0 38 -3,-2.1 2,-0.8 -4,-0.4 -1,-0.3 0.515 80.1 109.8 -91.9 -1.6 29.1 25.5 32.7 13 13 A V S < S- 0 0 3 -3,-1.3 3,-0.1 -4,-0.4 4,-0.1 -0.624 76.8-120.2 -82.8 111.9 29.9 24.5 36.3 14 14 A S > - 0 0 38 -2,-0.8 3,-2.3 1,-0.1 -1,-0.1 -0.119 28.6-100.7 -61.5 138.9 27.8 26.8 38.4 15 15 A Q T 3 S+ 0 0 144 1,-0.3 24,-0.2 24,-0.1 -1,-0.1 -0.266 109.8 19.8 -56.1 134.8 29.6 29.1 40.8 16 16 A G T 3 S+ 0 0 49 22,-2.4 -1,-0.3 1,-0.2 23,-0.2 0.431 93.7 153.0 81.6 -2.0 29.5 27.7 44.3 17 17 A A E < -a 39 0A 3 -3,-2.3 23,-2.1 21,-0.6 24,-1.1 -0.122 48.4-136.2 -59.8 152.3 28.7 24.1 43.1 18 18 A I E -a 41 0A 42 66,-0.2 68,-2.4 22,-0.2 69,-1.8 -0.982 39.5-151.7 -98.6 121.2 29.6 20.9 44.8 19 19 A L E -ab 42 87A 0 22,-2.2 24,-2.5 -2,-0.6 2,-0.5 -0.807 25.9-164.5-106.9 135.5 30.9 18.8 41.8 20 20 A L E -ab 43 88A 0 67,-2.5 69,-2.2 -2,-0.4 2,-0.6 -0.974 12.7-167.6-106.2 121.6 31.0 15.1 41.0 21 21 A D E > -ab 44 89A 5 22,-2.6 24,-2.0 -2,-0.5 3,-0.9 -0.944 15.4-145.4-108.6 110.6 33.4 14.6 38.1 22 22 A V E 3 S-ab 45 90A 7 67,-2.5 69,-0.5 -2,-0.6 24,-0.1 -0.620 79.6 -1.6 -83.2 123.5 32.9 11.0 36.8 23 23 A G T 3 S- 0 0 43 22,-1.2 -1,-0.3 -2,-0.4 23,-0.2 0.931 94.2-155.0 67.2 40.2 36.0 9.2 35.6 24 24 A S < - 0 0 3 21,-1.5 2,-1.3 -3,-0.9 -1,-0.1 -0.221 14.9-120.3 -60.0 138.4 37.9 12.4 36.3 25 25 A D S > S- 0 0 96 1,-0.2 3,-1.8 -3,-0.1 4,-0.3 -0.689 83.4 -40.7 -85.7 92.8 41.1 12.8 34.2 26 26 A H T 3 S- 0 0 69 -2,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.578 96.9 -84.4 68.1 13.6 43.9 13.0 37.0 27 27 A A T 3> S+ 0 0 0 18,-0.1 4,-2.4 31,-0.1 -1,-0.3 0.618 94.4 136.0 60.1 23.5 41.5 15.1 38.9 28 28 A Y H <> + 0 0 67 -3,-1.8 4,-2.9 2,-0.2 5,-0.2 0.913 65.7 52.4 -70.9 -36.9 42.7 18.2 36.9 29 29 A L H > S+ 0 0 2 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.985 114.2 39.5 -63.6 -57.3 39.2 19.6 36.4 30 30 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.907 116.2 52.8 -57.5 -41.8 38.1 19.6 40.0 31 31 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.964 111.8 45.7 -55.7 -52.7 41.6 20.7 41.1 32 32 A E H X S+ 0 0 40 -4,-2.9 4,-2.0 -5,-0.2 6,-0.2 0.877 112.2 51.2 -52.5 -50.4 41.4 23.6 38.7 33 33 A L H <>S+ 0 0 0 -4,-2.7 5,-2.1 -5,-0.2 6,-1.2 0.839 113.5 43.8 -61.3 -36.5 37.9 24.6 39.7 34 34 A V H ><5S+ 0 0 15 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.912 110.4 55.6 -77.3 -38.8 38.6 24.6 43.5 35 35 A E H 3<5S+ 0 0 99 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.887 108.2 48.2 -63.2 -35.9 41.9 26.5 43.0 36 36 A R T 3<5S- 0 0 96 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.458 114.9-113.2 -88.5 4.5 40.1 29.3 41.1 37 37 A G T < 5S+ 0 0 47 -3,-1.4 -21,-0.2 -4,-0.3 -3,-0.2 0.666 80.8 125.0 82.9 18.8 37.4 29.7 43.7 38 38 A Q S S- 0 0 79 25,-0.1 4,-2.7 1,-0.1 5,-0.1 -0.795 79.9-126.2-107.6 151.1 40.1 1.8 37.8 49 49 A E H > S+ 0 0 111 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.843 104.3 52.5 -61.7 -46.8 43.1 1.6 40.2 50 50 A G H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.988 114.5 39.4 -53.2 -67.3 45.6 3.5 38.1 51 51 A P H > S+ 0 0 53 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.899 115.2 56.7 -52.6 -45.1 43.5 6.6 37.4 52 52 A Y H X S+ 0 0 56 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.942 109.2 43.9 -47.7 -55.1 42.2 6.4 41.0 53 53 A Q H X S+ 0 0 69 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.886 113.1 51.4 -63.6 -38.4 45.8 6.6 42.4 54 54 A S H X S+ 0 0 30 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.935 111.0 48.3 -63.3 -41.9 46.8 9.4 40.0 55 55 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.924 111.5 50.7 -64.9 -42.7 43.7 11.4 41.1 56 56 A V H X S+ 0 0 25 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.948 113.1 45.2 -57.7 -47.0 44.5 10.8 44.8 57 57 A K H X S+ 0 0 120 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.877 111.4 50.9 -69.4 -42.4 48.2 11.9 44.3 58 58 A N H X S+ 0 0 35 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.891 111.5 48.4 -58.5 -39.2 47.4 15.1 42.3 59 59 A V H <>S+ 0 0 4 -4,-2.0 5,-2.3 -5,-0.2 4,-0.3 0.954 113.8 46.4 -69.2 -46.1 44.8 16.1 44.9 60 60 A E H ><5S+ 0 0 89 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.884 110.0 54.9 -56.8 -45.5 47.4 15.5 47.7 61 61 A A H 3<5S+ 0 0 81 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.802 109.1 48.1 -58.0 -36.6 50.1 17.4 45.7 62 62 A H T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.471 112.5-121.5 -84.6 0.2 47.8 20.3 45.5 63 63 A G T < 5S+ 0 0 59 -3,-1.4 3,-0.3 -4,-0.3 -3,-0.2 0.827 75.3 124.1 67.7 33.7 47.0 20.3 49.2 64 64 A L >>< + 0 0 24 -5,-2.3 4,-2.5 1,-0.2 3,-2.0 0.111 17.3 120.1-118.8 23.5 43.2 19.9 48.6 65 65 A K T 34 S+ 0 0 131 1,-0.3 -1,-0.2 -6,-0.2 -5,-0.1 0.781 77.7 56.2 -58.0 -26.6 42.4 16.7 50.5 66 66 A E T 34 S+ 0 0 176 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.632 118.1 32.3 -79.0 -12.3 39.9 18.8 52.5 67 67 A K T <4 S+ 0 0 78 -3,-2.0 -25,-2.6 1,-0.3 2,-0.4 0.581 116.8 50.0-121.3 -18.3 38.1 19.9 49.4 68 68 A I E < -c 42 0A 4 -4,-2.5 2,-0.4 -27,-0.2 -1,-0.3 -0.953 61.4-165.1-130.5 115.6 38.3 17.0 46.9 69 69 A Q E -c 43 0A 99 -27,-2.2 -25,-2.7 -2,-0.4 2,-0.5 -0.768 8.6-152.9 -90.9 142.8 37.5 13.4 47.7 70 70 A V E -c 44 0A 25 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.970 15.9-171.9-117.8 126.1 38.6 10.7 45.4 71 71 A R E -c 45 0A 63 -27,-2.1 -25,-2.4 -2,-0.5 2,-0.8 -0.971 24.2-137.2-128.3 139.9 36.5 7.5 45.3 72 72 A L E +c 46 0A 94 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.862 59.7 110.6 -94.1 109.1 37.0 4.2 43.7 73 73 A A - 0 0 25 -27,-1.9 2,-0.6 -2,-0.8 5,-0.1 -0.947 68.8 -93.0-176.4 153.4 33.6 3.3 42.2 74 74 A N S > S- 0 0 76 -2,-0.3 3,-2.1 -27,-0.1 4,-0.1 -0.746 73.0 -56.1 -89.5 124.9 31.9 2.9 38.9 75 75 A G G > S+ 0 0 7 -2,-0.6 3,-1.4 1,-0.3 -52,-0.2 -0.224 125.8 3.6 53.6-126.0 30.0 5.9 37.5 76 76 A L G > S+ 0 0 5 25,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.569 110.1 86.9 -75.7 -8.2 27.3 7.2 39.9 77 77 A A G < S+ 0 0 59 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.681 73.6 80.3 -55.4 -16.2 28.3 4.8 42.6 78 78 A A G < S+ 0 0 1 -3,-1.4 2,-0.3 -5,-0.1 -1,-0.2 0.524 96.4 38.8 -70.2 -8.9 30.8 7.6 43.5 79 79 A F < - 0 0 3 -3,-1.7 2,-0.3 -59,-0.1 -59,-0.0 -0.940 57.8-162.5-144.6 169.4 28.2 9.6 45.3 80 80 A E > - 0 0 100 -2,-0.3 3,-2.0 28,-0.0 5,-0.4 -0.912 42.9 -98.9-141.9 161.6 25.2 9.5 47.6 81 81 A E G > S+ 0 0 90 1,-0.3 3,-1.7 -2,-0.3 4,-0.1 0.826 119.7 64.2 -53.5 -36.2 22.4 12.0 48.5 82 82 A T G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.758 88.2 68.5 -66.2 -21.9 24.3 13.0 51.6 83 83 A D G < S- 0 0 27 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.734 93.0-142.4 -69.8 -18.3 27.1 14.4 49.5 84 84 A Q < - 0 0 126 -3,-1.7 -66,-0.2 -4,-0.4 2,-0.2 0.837 27.5-178.0 60.5 31.7 24.8 17.3 48.2 85 85 A V + 0 0 5 -5,-0.4 -1,-0.2 1,-0.2 -66,-0.2 -0.456 13.9 178.1 -60.2 131.4 26.3 17.2 44.8 86 86 A S + 0 0 17 -68,-2.4 28,-2.0 1,-0.3 27,-1.3 0.611 65.7 34.5-109.2 -19.4 24.7 20.0 42.7 87 87 A V E -bd 19 114A 0 -69,-1.8 -67,-2.5 26,-0.2 2,-0.4 -0.997 60.7-168.1-138.7 140.1 26.6 19.5 39.4 88 88 A I E -bd 20 115A 0 26,-1.7 28,-3.1 -2,-0.3 2,-0.4 -0.992 3.8-164.7-129.9 131.4 28.0 16.4 37.6 89 89 A T E +bd 21 116A 0 -69,-2.2 -67,-2.5 -2,-0.4 2,-0.4 -0.959 8.0 178.7-110.3 140.9 30.3 16.4 34.7 90 90 A I E +bd 22 117A 0 26,-2.0 28,-2.5 -2,-0.4 2,-0.3 -0.923 20.8 160.7-143.4 109.8 30.8 13.2 32.6 91 91 A A E + d 0 118A 19 -69,-0.5 3,-0.1 -2,-0.4 61,-0.1 -0.915 42.5 34.8-135.8 151.4 33.3 13.9 29.8 92 92 A G E S+ 0 0 34 26,-1.3 2,-0.3 -2,-0.3 -1,-0.1 0.727 87.7 104.7 81.3 25.9 35.5 11.9 27.4 93 93 A M E S- d 0 119A 29 25,-0.9 27,-2.6 -3,-0.1 28,-0.4 -0.940 78.4 -89.4-132.5 155.4 33.3 8.8 26.9 94 94 A G >> - 0 0 20 -2,-0.3 4,-1.7 25,-0.3 3,-0.6 -0.323 43.0-115.0 -59.8 145.6 31.0 7.5 24.1 95 95 A G H 3> S+ 0 0 0 26,-1.5 4,-2.3 1,-0.3 27,-0.1 0.812 113.5 52.6 -61.1 -31.8 27.4 8.7 24.4 96 96 A R H 3> S+ 0 0 149 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.854 107.8 52.6 -76.6 -26.3 25.9 5.3 25.1 97 97 A L H <> S+ 0 0 78 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.862 108.0 51.7 -72.6 -32.6 28.3 4.8 27.9 98 98 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.964 110.0 49.0 -64.6 -45.3 27.3 8.1 29.4 99 99 A A H X S+ 0 0 12 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.879 108.8 53.2 -58.2 -42.2 23.7 7.0 29.2 100 100 A R H X S+ 0 0 141 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.929 109.9 47.5 -62.7 -44.3 24.5 3.7 30.9 101 101 A I H X S+ 0 0 13 -4,-2.2 4,-1.2 1,-0.2 -25,-0.4 0.917 114.1 46.8 -62.3 -38.0 26.1 5.5 33.8 102 102 A L H < S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.2 3,-0.2 0.933 112.6 51.5 -68.5 -40.3 23.2 7.9 34.1 103 103 A E H >< S+ 0 0 91 -4,-2.9 3,-1.7 1,-0.2 4,-0.3 0.951 107.3 50.7 -64.5 -51.2 20.7 5.0 33.9 104 104 A E H 3< S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.778 120.3 35.2 -57.8 -30.0 22.3 2.9 36.6 105 105 A G T >< S+ 0 0 7 -4,-1.2 3,-2.5 -5,-0.2 4,-0.3 0.197 80.4 123.9-108.6 25.4 22.4 5.8 39.1 106 106 A L G X + 0 0 59 -3,-1.7 3,-1.4 1,-0.3 4,-0.4 0.822 64.8 65.3 -56.4 -36.3 19.1 7.3 37.9 107 107 A G G 3 S+ 0 0 76 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.572 101.7 49.3 -61.5 -11.0 17.6 7.2 41.4 108 108 A K G < S+ 0 0 40 -3,-2.5 3,-0.4 1,-0.1 -1,-0.2 0.417 90.5 78.8-107.2 -2.2 20.2 9.8 42.7 109 109 A L X + 0 0 5 -3,-1.4 3,-2.0 -4,-0.3 -2,-0.1 0.645 64.5 87.8 -87.7 -15.5 19.9 12.5 40.1 110 110 A A T 3 S+ 0 0 97 -4,-0.4 -1,-0.2 1,-0.3 47,-0.1 0.863 93.7 44.4 -57.0 -35.3 16.6 14.2 41.3 111 111 A N T 3 S+ 0 0 111 -3,-0.4 2,-0.4 2,-0.0 -1,-0.3 0.328 90.4 100.2 -96.3 12.7 18.5 16.6 43.6 112 112 A V < - 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0 0 25 -29,-0.3 2,-0.4 -2,-0.2 -26,-0.1 -0.979 19.1-158.2-142.3 160.2 11.7 18.3 26.2 161 161 A K - 0 0 177 -2,-0.3 2,-0.2 0, 0.0 -2,-0.0 -0.813 20.4-163.1-136.1 92.6 10.3 17.2 22.9 162 162 A L - 0 0 29 -2,-0.4 2,-0.1 -35,-0.1 -2,-0.0 -0.535 14.1-132.7 -86.6 141.0 13.0 17.1 20.2 163 163 A S > - 0 0 61 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.348 36.5-104.2 -68.9 162.8 12.5 16.9 16.4 164 164 A A H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.876 126.1 54.0 -53.9 -37.8 14.5 14.3 14.6 165 165 A S H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.938 108.3 45.6 -66.4 -47.7 16.6 17.2 13.4 166 166 A D H > S+ 0 0 43 1,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.840 110.6 56.9 -61.1 -33.3 17.3 18.4 17.0 167 167 A V H < S+ 0 0 23 -4,-2.3 -40,-0.2 1,-0.2 -2,-0.2 0.928 116.3 33.9 -62.4 -40.9 18.0 14.8 18.0 168 168 A R H < S+ 0 0 63 -4,-1.8 -2,-0.2 -5,-0.2 -44,-0.2 0.870 133.6 25.0 -87.7 -36.6 20.7 14.5 15.4 169 169 A F H < S- 0 0 4 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.669 110.4-102.2-106.2 -18.7 22.2 18.0 15.4 170 170 A G X - 0 0 0 -4,-1.8 4,-2.5 -5,-0.4 5,-0.3 0.383 19.0-113.4 97.6 128.8 21.3 19.5 18.8 171 171 A P T 4 S+ 0 0 27 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.810 119.1 31.6 -64.4 -34.5 18.5 21.9 19.6 172 172 A F T >> S+ 0 0 88 -6,-0.1 4,-2.2 2,-0.1 3,-0.9 0.879 120.1 49.9 -83.8 -47.5 21.0 24.7 20.4 173 173 A L H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.892 109.5 51.6 -57.9 -40.1 23.9 23.7 18.0 174 174 A S H 3< S+ 0 0 23 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.715 111.4 49.2 -74.5 -17.3 21.6 23.4 15.0 175 175 A K H <4 S+ 0 0 179 -3,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.885 115.7 40.5 -85.5 -41.3 20.2 26.9 15.8 176 176 A E H < S- 0 0 84 -4,-2.2 -2,-0.2 2,-0.0 -3,-0.2 0.868 80.9-166.8 -68.3 -40.9 23.7 28.6 16.2 177 177 A V < - 0 0 50 -4,-2.6 -3,-0.1 -5,-0.2 -4,-0.1 0.927 20.2-165.3 43.4 55.9 25.3 26.8 13.2 178 178 A S > - 0 0 27 -5,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.100 34.6-101.8 -61.2 166.0 28.8 27.9 14.4 179 179 A P H > S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.872 125.7 50.7 -60.1 -31.6 31.8 27.7 12.2 180 180 A V H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.899 106.2 53.8 -72.1 -40.9 32.9 24.5 14.1 181 181 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.917 108.6 51.3 -54.2 -44.5 29.4 23.0 13.7 182 182 A V H X S+ 0 0 44 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.950 109.4 48.5 -61.9 -46.7 29.8 23.6 9.9 183 183 A Q H X S+ 0 0 79 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.931 111.6 50.9 -59.5 -45.2 33.2 21.9 9.7 184 184 A K H X S+ 0 0 26 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.957 117.7 36.0 -57.2 -50.7 32.0 18.9 11.6 185 185 A W H X S+ 0 0 12 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.873 114.2 54.7 -80.0 -34.1 28.9 18.2 9.5 186 186 A Q H X S+ 0 0 94 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.907 110.7 48.1 -57.1 -44.2 30.5 19.2 6.1 187 187 A K H X S+ 0 0 111 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.929 111.9 49.3 -68.2 -38.4 33.2 16.7 6.8 188 188 A E H X S+ 0 0 67 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.889 107.5 55.0 -67.0 -38.2 30.6 14.1 7.8 189 189 A A H X S+ 0 0 12 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.961 108.6 47.7 -56.8 -49.9 28.6 14.9 4.6 190 190 A E H X S+ 0 0 113 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.907 109.3 53.2 -63.0 -38.1 31.7 14.2 2.4 191 191 A K H X S+ 0 0 122 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.964 113.2 44.2 -55.2 -51.2 32.4 10.9 4.3 192 192 A L H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.888 111.8 53.0 -60.4 -40.0 28.8 9.9 3.6 193 193 A E H < S+ 0 0 92 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.847 110.5 47.8 -68.1 -29.1 29.1 11.0 -0.0 194 194 A F H X S+ 0 0 142 -4,-2.2 4,-1.7 -5,-0.2 3,-0.5 0.915 111.8 48.1 -75.2 -43.6 32.2 8.9 -0.5 195 195 A A H X S+ 0 0 30 -4,-2.4 4,-1.2 1,-0.3 -2,-0.2 0.895 111.0 50.3 -64.7 -40.5 30.7 5.8 1.1 196 196 A L H < S+ 0 0 29 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.652 105.6 60.6 -69.7 -14.8 27.6 6.1 -1.0 197 197 A G H 4 S+ 0 0 54 -3,-0.5 -2,-0.2 -4,-0.3 -1,-0.2 0.892 106.3 46.1 -75.4 -43.1 30.1 6.5 -3.9 198 198 A Q H < S+ 0 0 114 -4,-1.7 -2,-0.2 -3,-0.0 -3,-0.1 0.979 98.6 68.2 -57.2 -87.2 31.5 3.0 -3.1 199 199 A I S < S- 0 0 38 -4,-1.2 2,-0.3 2,-0.0 -1,-0.0 -0.095 83.7-139.9 -44.7 116.7 28.3 0.9 -2.7 200 200 A P - 0 0 100 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.981 20.1 -56.7-142.2 153.7 26.6 0.5 -6.1 201 201 A E S S+ 0 0 112 -2,-0.3 6,-0.1 2,-0.0 -2,-0.0 -0.851 90.8 47.6-139.4 -27.8 24.1 0.5 -7.5 202 202 A K S S+ 0 0 162 -2,-0.1 5,-0.2 1,-0.0 4,-0.0 0.010 79.4 75.0 -66.1-171.3 21.2 -1.8 -6.9 203 203 A N > - 0 0 70 3,-0.1 4,-1.2 2,-0.1 3,-0.2 0.993 57.8-177.0 51.8 81.7 19.9 -2.4 -3.4 204 204 A L H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.950 72.4 64.4 -74.5 -50.2 18.2 1.0 -3.1 205 205 A E H > S+ 0 0 139 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.775 104.8 49.2 -37.0 -39.4 17.1 0.6 0.5 206 206 A E H > S+ 0 0 86 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.927 112.8 42.8 -76.4 -48.7 20.7 0.5 1.6 207 207 A R H X S+ 0 0 48 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.789 106.0 68.5 -63.9 -28.7 21.9 3.6 -0.4 208 208 A Q H X S+ 0 0 93 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.939 92.4 55.2 -61.0 -47.8 18.7 5.3 0.8 209 209 A V H X S+ 0 0 64 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.897 111.2 45.5 -52.4 -41.7 19.8 5.5 4.5 210 210 A L H X S+ 0 0 31 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.874 111.0 54.2 -68.9 -35.8 23.0 7.3 3.4 211 211 A V H X S+ 0 0 51 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 107.1 49.0 -64.4 -45.6 21.0 9.6 1.1 212 212 A D H X S+ 0 0 88 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.862 109.3 54.0 -62.9 -34.5 18.6 10.7 3.9 213 213 A K H X S+ 0 0 112 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.899 108.0 49.8 -66.0 -41.1 21.6 11.4 6.1 214 214 A I H X S+ 0 0 9 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.905 111.3 47.4 -65.3 -44.9 23.1 13.7 3.5 215 215 A Q H X S+ 0 0 86 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.904 107.6 56.7 -63.0 -42.0 20.0 15.7 2.9 216 216 A A H X S+ 0 0 31 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.935 110.6 44.8 -55.0 -46.1 19.5 16.1 6.7 217 217 A I H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.943 112.4 50.7 -63.2 -50.2 22.9 17.6 6.8 218 218 A K H X S+ 0 0 94 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.916 111.9 48.8 -51.9 -48.9 22.3 19.8 3.7 219 219 A E H >< S+ 0 0 136 -4,-3.4 3,-0.9 1,-0.2 -1,-0.2 0.950 111.1 47.7 -56.6 -51.6 19.1 21.1 5.3 220 220 A V H 3< S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 116.2 45.9 -67.8 -24.8 20.6 21.9 8.7 221 221 A L H 3< 0 0 36 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.589 360.0 360.0 -86.9 -13.0 23.5 23.8 7.0 222 222 A H << 0 0 215 -4,-1.0 -3,-0.0 -3,-0.9 -4,-0.0 -0.215 360.0 360.0 -54.0 360.0 21.4 25.8 4.5