==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAY-06 2GXS . COMPND 2 MOLECULE: HEAT RESISTANT RNA DEPENDENT ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB27; . AUTHOR M.G.RUDOLPH,D.KLOSTERMEIER . 413 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 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 . 27 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 0 0 6 6 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 10 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 1 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 31 0, 0.0 2,-0.3 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 158.3 50.8 10.8 7.4 2 2 A E > - 0 0 57 21,-0.2 3,-2.0 1,-0.1 4,-0.4 -0.702 360.0-109.2-105.7 159.4 51.4 11.6 3.7 3 3 A F G > S+ 0 0 2 19,-2.4 3,-1.8 1,-0.3 5,-0.2 0.865 117.8 64.7 -54.9 -35.0 52.7 9.2 1.0 4 4 A K G 3 S+ 0 0 131 18,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.655 90.1 66.2 -65.7 -14.1 55.9 11.2 1.0 5 5 A D G < S+ 0 0 58 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.644 90.4 80.3 -77.8 -13.6 56.6 10.1 4.6 6 6 A F S < S- 0 0 7 -3,-1.8 2,-2.2 -4,-0.4 207,-0.0 -0.616 98.2 -99.6 -96.3 153.8 57.0 6.5 3.4 7 7 A P S S+ 0 0 68 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.477 70.8 140.2 -75.8 81.2 60.2 5.0 1.8 8 8 A L - 0 0 14 -2,-2.2 5,-0.0 -5,-0.2 49,-0.0 -0.948 57.3-104.9-123.2 138.8 58.9 5.2 -1.8 9 9 A K >> - 0 0 87 -2,-0.4 4,-2.1 1,-0.1 3,-1.1 -0.257 33.6-112.1 -62.4 150.3 61.0 6.3 -4.8 10 10 A P H 3> S+ 0 0 85 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.842 115.6 57.2 -54.9 -37.6 60.4 9.8 -6.1 11 11 A E H 3> S+ 0 0 118 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.802 107.8 48.8 -61.6 -32.7 58.9 8.5 -9.4 12 12 A I H <> S+ 0 0 8 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.946 113.0 46.5 -71.3 -48.9 56.3 6.6 -7.4 13 13 A L H X S+ 0 0 27 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.940 110.7 52.6 -57.1 -47.4 55.5 9.7 -5.3 14 14 A E H X S+ 0 0 142 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.862 109.6 49.8 -56.8 -40.7 55.3 11.9 -8.4 15 15 A A H X S+ 0 0 32 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.886 109.8 49.0 -66.1 -43.5 52.8 9.5 -10.0 16 16 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 3,-1.2 0.971 113.2 48.3 -58.6 -48.5 50.6 9.3 -6.9 17 17 A H H ><5S+ 0 0 91 -4,-2.9 3,-2.0 1,-0.3 -2,-0.2 0.891 104.5 59.6 -60.6 -42.5 50.7 13.2 -6.8 18 18 A G H 3<5S+ 0 0 70 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.803 107.0 48.3 -53.0 -34.1 49.9 13.4 -10.5 19 19 A R T <<5S- 0 0 109 -4,-1.2 -1,-0.3 -3,-1.2 -2,-0.2 0.377 123.1-103.7 -89.9 4.9 46.7 11.4 -9.7 20 20 A G T < 5S+ 0 0 62 -3,-2.0 2,-0.7 -4,-0.3 -3,-0.2 0.608 76.8 138.6 88.1 12.0 45.7 13.6 -6.7 21 21 A L < + 0 0 57 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.849 3.0 134.7-100.8 114.0 46.8 11.1 -4.2 22 22 A T + 0 0 61 -2,-0.7 -19,-2.4 1,-0.2 -18,-0.4 0.566 58.1 58.6-124.3 -22.7 48.6 12.5 -1.1 23 23 A T S S- 0 0 71 -21,-0.2 -1,-0.2 -20,-0.1 -21,-0.2 -0.955 76.0-128.4-125.3 117.4 47.2 10.8 1.9 24 24 A P - 0 0 11 0, 0.0 26,-0.1 0, 0.0 -2,-0.0 -0.332 24.9-120.2 -61.7 146.3 47.1 7.1 2.6 25 25 A T > - 0 0 46 25,-0.1 4,-3.3 1,-0.1 5,-0.2 -0.282 39.7 -92.1 -71.7 166.4 43.8 5.4 3.5 26 26 A P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.926 128.1 46.9 -49.3 -50.3 43.7 3.6 6.9 27 27 A I H > S+ 0 0 1 22,-0.4 4,-1.9 1,-0.2 5,-0.2 0.890 115.2 46.9 -64.6 -36.0 44.6 0.2 5.5 28 28 A Q H > S+ 0 0 8 21,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.925 111.7 50.6 -66.2 -45.9 47.5 1.8 3.5 29 29 A A H < S+ 0 0 4 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.927 117.1 39.1 -57.4 -47.3 48.7 3.8 6.5 30 30 A A H < S+ 0 0 0 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.812 122.2 43.4 -72.3 -35.9 48.8 0.7 8.8 31 31 A A H X S+ 0 0 5 -4,-1.9 4,-3.5 -5,-0.3 5,-0.3 0.854 98.2 68.6 -80.1 -42.5 50.1 -1.7 6.1 32 32 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.873 92.9 54.2 -58.2 -45.7 52.9 0.3 4.3 33 33 A P H 4 S+ 0 0 1 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.955 120.8 34.4 -55.4 -45.9 55.5 0.5 7.0 34 34 A L H >4>S+ 0 0 2 -4,-0.5 5,-2.3 2,-0.2 3,-0.9 0.917 118.3 51.6 -70.9 -45.8 55.5 -3.3 7.4 35 35 A A H ><5S+ 0 0 2 -4,-3.5 3,-1.8 1,-0.2 -3,-0.2 0.911 107.7 52.1 -59.9 -42.0 54.8 -4.1 3.7 36 36 A L T 3<5S+ 0 0 38 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.685 106.3 55.5 -71.0 -15.4 57.7 -1.9 2.5 37 37 A E T < 5S- 0 0 72 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.261 123.5-105.5 -98.5 10.4 60.0 -3.8 4.9 38 38 A G T < 5 + 0 0 24 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.576 69.9 146.5 83.8 14.7 59.0 -7.1 3.3 39 39 A K < - 0 0 107 -5,-2.3 2,-0.2 138,-0.1 -1,-0.2 -0.438 50.0-107.7 -89.5 152.4 56.7 -8.4 6.1 40 40 A D + 0 0 7 158,-0.6 161,-1.7 -2,-0.1 2,-0.3 -0.570 40.2 179.5 -79.8 145.7 53.6 -10.5 5.7 41 41 A L E -ab 179 201A 9 137,-1.3 139,-2.4 159,-0.3 2,-0.5 -0.990 26.7-147.8-145.5 150.1 50.2 -9.0 6.3 42 42 A I E -ab 180 202A 0 159,-2.5 161,-2.9 -2,-0.3 2,-0.6 -0.995 18.1-159.7-116.5 122.7 46.5 -9.8 6.2 43 43 A G E -ab 181 203A 4 137,-2.6 139,-1.9 -2,-0.5 2,-1.0 -0.914 4.8-158.2-103.2 115.8 44.2 -6.9 5.2 44 44 A Q E + b 0 204A 28 159,-3.3 161,-2.1 -2,-0.6 162,-0.3 -0.875 52.5 108.5 -96.9 104.5 40.6 -7.3 6.2 45 45 A A - 0 0 5 -2,-1.0 2,-0.3 159,-0.2 107,-0.1 -0.966 52.2-143.2-170.0 158.0 39.1 -5.0 3.7 46 46 A R > - 0 0 140 -2,-0.3 3,-1.8 137,-0.1 5,-0.4 -0.833 52.3 -61.8-123.3 172.3 36.9 -4.7 0.6 47 47 A T T 3 S+ 0 0 121 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.369 119.7 53.1 -54.1 140.7 37.0 -2.4 -2.4 48 48 A G T 3 S+ 0 0 79 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 -0.085 92.1 79.0 111.5 -17.1 36.5 1.1 -1.2 49 49 A T S < S- 0 0 25 -3,-1.8 -22,-0.4 -24,-0.1 -21,-0.4 0.589 104.9-111.2 -92.1 -14.1 39.3 0.9 1.4 50 50 A G > + 0 0 25 -4,-0.2 4,-1.1 -23,-0.1 3,-0.3 0.662 65.8 146.9 84.2 21.9 42.3 1.5 -1.0 51 51 A K H > + 0 0 8 -5,-0.4 4,-1.0 1,-0.2 5,-0.2 0.820 60.5 66.7 -61.2 -29.8 43.6 -2.1 -0.6 52 52 A T H >> S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 3,-1.1 0.963 103.4 42.3 -60.7 -49.4 44.9 -2.3 -4.1 53 53 A L H 3> S+ 0 0 13 -3,-0.3 4,-2.1 1,-0.3 -1,-0.2 0.781 102.0 71.9 -69.0 -23.4 47.7 0.4 -3.6 54 54 A A H 3< S+ 0 0 3 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.821 115.7 22.9 -59.8 -32.8 48.4 -1.3 -0.2 55 55 A F H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.879 113.0 48.6 -59.1 -37.0 55.3 -2.5 -2.2 59 59 A I H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.957 112.0 48.9 -65.1 -45.7 55.6 -4.4 -5.5 60 60 A A H < S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.882 116.0 43.7 -59.8 -41.7 56.5 -1.3 -7.4 61 61 A E H < S+ 0 0 40 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.901 114.1 48.2 -72.3 -39.9 59.0 -0.3 -4.8 62 62 A R H < S+ 0 0 105 -4,-2.3 2,-0.7 -5,-0.2 -2,-0.2 0.852 97.5 73.2 -71.2 -42.3 60.7 -3.7 -4.3 63 63 A L < - 0 0 3 -4,-2.1 -1,-0.1 -5,-0.2 3,-0.1 -0.737 62.1-158.1 -93.3 116.3 61.2 -4.7 -7.9 64 64 A A - 0 0 60 -2,-0.7 -2,-0.0 1,-0.1 -3,-0.0 -0.465 36.6 -94.0 -74.1 155.2 63.9 -3.1 -10.1 65 65 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.235 39.7-170.2 -67.8 162.1 63.5 -3.4 -13.9 66 66 A S - 0 0 33 32,-0.4 34,-0.1 -3,-0.1 5,-0.0 -0.967 22.0-164.4-148.6 141.2 65.0 -6.2 -16.0 67 67 A Q + 0 0 159 -2,-0.3 2,-0.1 2,-0.1 -1,-0.0 0.318 43.8 140.4-103.6 7.8 65.3 -6.6 -19.7 68 68 A E > - 0 0 128 1,-0.1 3,-1.7 2,-0.1 2,-0.1 -0.276 54.2-122.9 -59.6 119.2 66.2 -10.3 -19.5 69 69 A R T 3 S+ 0 0 236 1,-0.3 51,-0.2 -2,-0.1 50,-0.1 -0.380 93.0 8.7 -62.6 136.5 64.5 -12.4 -22.2 70 70 A G T 3 S+ 0 0 20 49,-2.3 50,-0.4 1,-0.2 -1,-0.3 0.495 89.9 165.9 74.7 5.1 62.3 -15.2 -20.8 71 71 A R < - 0 0 36 -3,-1.7 50,-1.7 48,-0.4 -1,-0.2 -0.148 34.7-118.6 -61.4 153.1 62.7 -14.0 -17.2 72 72 A K - 0 0 87 48,-0.2 -1,-0.1 1,-0.1 70,-0.1 -0.594 34.6 -93.9 -92.0 150.5 60.4 -15.4 -14.6 73 73 A P - 0 0 6 0, 0.0 71,-0.3 0, 0.0 49,-0.2 -0.269 23.3-163.5 -67.6 147.5 58.0 -13.2 -12.6 74 74 A R S S+ 0 0 41 48,-2.5 72,-3.5 71,-0.2 73,-1.5 0.490 76.8 45.4-106.5 -5.5 59.0 -11.8 -9.2 75 75 A A E -cd 123 147A 0 47,-1.2 49,-2.2 70,-0.2 2,-0.4 -0.996 61.9-170.1-137.5 141.1 55.4 -11.0 -8.1 76 76 A L E -cd 124 148A 1 71,-2.6 73,-2.7 -2,-0.3 2,-0.5 -0.999 1.2-174.2-129.7 130.0 52.2 -13.0 -8.3 77 77 A V E -cd 125 149A 0 47,-2.5 49,-2.9 -2,-0.4 2,-0.4 -0.995 10.1-158.0-121.9 123.2 48.8 -11.6 -7.5 78 78 A L E +cd 126 150A 1 71,-3.1 73,-3.1 -2,-0.5 49,-0.2 -0.864 16.7 172.3-100.8 137.0 45.9 -14.0 -7.5 79 79 A T - 0 0 0 47,-2.1 73,-0.1 -2,-0.4 74,-0.0 -0.938 36.9-122.9-139.8 155.0 42.4 -12.7 -8.1 80 80 A P S S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 47,-0.1 0.810 83.0 30.1 -74.1 -31.8 39.0 -14.3 -8.6 81 81 A T S > S- 0 0 32 1,-0.1 4,-2.6 46,-0.1 5,-0.2 -0.886 70.0-117.5-130.8 162.9 38.0 -12.9 -11.9 82 82 A R H > S+ 0 0 131 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.909 115.1 56.9 -52.7 -47.1 39.0 -11.4 -15.2 83 83 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 111.6 40.1 -56.3 -48.6 37.5 -8.1 -14.2 84 84 A L H > S+ 0 0 17 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.870 112.1 55.8 -71.5 -38.5 39.6 -7.8 -11.1 85 85 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.937 109.6 47.4 -60.0 -44.6 42.7 -9.1 -12.8 86 86 A L H X S+ 0 0 61 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.949 114.0 47.4 -63.2 -45.1 42.4 -6.4 -15.4 87 87 A Q H X S+ 0 0 112 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.931 115.1 44.8 -59.0 -49.4 41.8 -3.7 -12.7 88 88 A V H X S+ 0 0 6 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.919 111.7 51.2 -65.6 -45.6 44.7 -4.8 -10.6 89 89 A A H X S+ 0 0 13 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.912 110.1 52.4 -57.3 -40.2 47.1 -5.2 -13.6 90 90 A S H X S+ 0 0 80 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.925 111.7 44.5 -59.7 -45.5 46.1 -1.6 -14.6 91 91 A E H X S+ 0 0 42 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.857 110.8 53.9 -70.2 -36.6 46.8 -0.2 -11.2 92 92 A L H X S+ 0 0 2 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.943 110.9 46.9 -64.5 -43.4 50.1 -2.2 -10.9 93 93 A T H < S+ 0 0 65 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.906 105.5 60.7 -60.2 -38.3 51.2 -0.6 -14.3 94 94 A A H < S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.900 117.9 28.7 -57.5 -43.1 50.1 2.9 -13.1 95 95 A V H < S+ 0 0 4 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.564 131.4 36.5 -95.6 -12.0 52.6 2.8 -10.2 96 96 A A >< + 0 0 0 -4,-1.5 3,-2.0 -5,-0.2 -1,-0.2 -0.466 59.5 156.7-138.9 60.0 55.3 0.5 -11.8 97 97 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.720 72.4 67.4 -64.4 -16.8 55.5 1.3 -15.5 98 98 A H T 3 S+ 0 0 75 -3,-0.1 -32,-0.4 -38,-0.1 2,-0.3 0.478 90.2 80.1 -76.8 -8.6 59.0 -0.1 -15.5 99 99 A L S < S- 0 0 10 -3,-2.0 2,-0.7 -7,-0.1 -3,-0.1 -0.803 80.7-125.7-103.9 144.4 57.7 -3.6 -14.9 100 100 A K - 0 0 94 -2,-0.3 22,-2.3 -34,-0.1 23,-2.3 -0.826 31.2-166.6 -87.8 115.2 56.2 -6.0 -17.4 101 101 A V E -e 123 0A 20 -2,-0.7 2,-0.5 21,-0.2 23,-0.2 -0.931 4.2-165.1-107.9 128.7 52.8 -7.0 -16.0 102 102 A V E -e 124 0A 8 21,-2.8 23,-2.4 -2,-0.5 2,-0.4 -0.949 8.1-150.9-119.8 122.1 51.0 -9.9 -17.5 103 103 A A E -e 125 0A 22 -2,-0.5 2,-0.5 21,-0.2 23,-0.2 -0.785 12.7-169.6 -90.5 134.3 47.3 -10.5 -16.8 104 104 A V E +e 126 0A 2 21,-2.7 23,-2.0 -2,-0.4 2,-0.3 -0.989 21.7 143.7-125.8 119.3 46.3 -14.2 -17.0 105 105 A Y - 0 0 40 -2,-0.5 3,-0.3 21,-0.2 8,-0.1 -0.985 41.4-105.1-155.9 162.3 42.6 -15.1 -16.9 106 106 A G S S+ 0 0 30 -2,-0.3 3,-0.1 1,-0.2 -24,-0.0 -0.146 85.5 61.0 -77.9 178.1 39.9 -17.4 -18.2 107 107 A G S S+ 0 0 88 1,-0.3 2,-0.2 -2,-0.0 -1,-0.2 0.634 97.9 73.5 78.2 15.4 37.3 -16.9 -20.8 108 108 A T S S- 0 0 46 -3,-0.3 -1,-0.3 1,-0.0 2,-0.0 -0.860 89.4 -72.4-145.9 176.7 39.9 -16.2 -23.5 109 109 A G - 0 0 44 -2,-0.2 4,-0.4 1,-0.1 3,-0.0 -0.361 30.4-133.7 -72.2 156.3 42.5 -17.9 -25.7 110 110 A Y S > S+ 0 0 94 1,-0.1 4,-2.8 2,-0.1 5,-0.3 0.759 88.0 80.4 -70.1 -33.7 45.8 -19.2 -24.3 111 111 A G H > S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.866 89.7 45.0 -54.1 -57.2 48.0 -17.8 -27.0 112 112 A K H > S+ 0 0 155 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 119.4 41.7 -50.5 -56.9 48.4 -14.2 -26.0 113 113 A Q H > S+ 0 0 11 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.898 114.6 49.2 -64.1 -43.9 49.1 -15.0 -22.3 114 114 A K H X S+ 0 0 76 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.933 111.6 51.3 -62.1 -46.1 51.3 -17.9 -23.0 115 115 A E H X S+ 0 0 113 -4,-2.9 4,-2.3 -5,-0.3 -2,-0.2 0.940 110.3 49.2 -51.1 -52.6 53.4 -15.8 -25.5 116 116 A A H X S+ 0 0 11 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.902 110.4 49.2 -61.4 -42.5 53.8 -13.0 -23.0 117 117 A L H < S+ 0 0 10 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.908 111.4 50.0 -63.5 -39.3 54.9 -15.4 -20.2 118 118 A L H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 107.4 54.5 -68.1 -36.3 57.5 -17.0 -22.6 119 119 A R H < S- 0 0 134 -4,-2.3 -49,-2.3 -5,-0.2 -48,-0.4 0.798 126.3 -89.1 -66.2 -28.1 58.8 -13.6 -23.6 120 120 A G < - 0 0 4 -4,-1.3 2,-0.3 -50,-0.4 -1,-0.2 -0.218 42.9-156.9 125.4 143.2 59.4 -12.7 -19.9 121 121 A A - 0 0 1 -50,-1.7 -20,-0.2 -4,-0.2 3,-0.1 -0.994 18.5-164.7-151.5 149.0 57.4 -11.1 -17.1 122 122 A D S S+ 0 0 0 -22,-2.3 -48,-2.5 1,-0.4 -47,-1.2 0.756 85.3 17.6-101.1 -36.5 58.0 -9.2 -13.8 123 123 A A E -ce 75 101A 0 -23,-2.3 -21,-2.8 -50,-0.2 2,-0.4 -1.000 62.8-161.0-139.8 139.8 54.6 -9.5 -12.4 124 124 A V E -ce 76 102A 0 -49,-2.2 -47,-2.5 -2,-0.4 2,-0.6 -0.975 0.8-167.1-118.7 128.9 51.7 -11.8 -13.1 125 125 A V E +ce 77 103A 0 -23,-2.4 -21,-2.7 -2,-0.4 2,-0.3 -0.980 31.3 167.7-113.2 113.4 48.1 -11.0 -12.1 126 126 A A E -ce 78 104A 0 -49,-2.9 -47,-2.1 -2,-0.6 -21,-0.2 -0.962 44.5-122.6-136.1 150.9 46.1 -14.2 -12.6 127 127 A T > - 0 0 10 -23,-2.0 4,-2.1 -2,-0.3 5,-0.2 -0.589 41.5-120.0 -81.1 147.0 42.9 -16.1 -11.9 128 128 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.830 102.5 54.3 -71.2 -31.7 43.7 -19.4 -10.1 129 129 A G H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.963 114.8 38.4 -66.4 -52.8 42.4 -22.0 -12.6 130 130 A R H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 113.8 56.6 -67.8 -37.3 44.3 -20.7 -15.6 131 131 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.904 107.6 48.8 -58.6 -38.6 47.3 -20.0 -13.5 132 132 A L H X S+ 0 0 29 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.897 107.1 55.3 -71.5 -37.8 47.4 -23.6 -12.3 133 133 A D H X S+ 0 0 27 -4,-1.9 4,-2.1 1,-0.2 6,-0.2 0.943 111.7 44.4 -54.8 -49.2 47.0 -24.8 -16.0 134 134 A Y H X>S+ 0 0 0 -4,-2.4 6,-1.8 2,-0.2 5,-1.5 0.842 110.4 53.8 -67.0 -34.4 50.1 -22.8 -16.9 135 135 A L H ><5S+ 0 0 43 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.964 109.5 49.2 -61.6 -52.2 52.0 -24.0 -13.8 136 136 A R H 3<5S+ 0 0 176 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.858 112.5 47.5 -52.3 -44.0 51.3 -27.6 -14.8 137 137 A Q H 3<5S- 0 0 86 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.707 112.6-119.4 -70.8 -22.9 52.5 -26.9 -18.4 138 138 A G T <<5S+ 0 0 56 -4,-1.3 -3,-0.2 -3,-0.8 -2,-0.1 0.427 85.9 115.7 91.9 2.6 55.7 -25.2 -17.1 139 139 A V S + 0 0 2 -2,-0.5 3,-1.7 29,-0.2 -1,-0.1 0.204 49.6 109.8-105.5 12.6 56.9 -19.3 -9.8 143 143 A S T 3 S+ 0 0 60 1,-0.3 -1,-0.2 29,-0.2 -69,-0.1 0.675 82.0 44.0 -70.1 -16.3 60.4 -20.2 -8.6 144 144 A R T 3 S+ 0 0 167 -71,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.267 77.7 137.9-110.1 7.6 61.5 -16.6 -8.4 145 145 A V < + 0 0 2 -3,-1.7 -70,-0.2 1,-0.2 -71,-0.2 -0.404 21.9 174.0 -61.8 126.1 58.4 -15.1 -6.8 146 146 A E S S+ 0 0 59 -72,-3.5 31,-3.1 1,-0.3 2,-0.4 0.672 71.2 33.0-101.7 -27.3 59.4 -12.5 -4.1 147 147 A V E -df 75 177A 0 -73,-1.5 -71,-2.6 29,-0.2 2,-0.5 -0.993 63.3-173.5-136.2 127.7 55.8 -11.2 -3.4 148 148 A A E -df 76 178A 1 29,-2.7 31,-2.4 -2,-0.4 2,-0.4 -0.988 7.8-169.6-120.6 126.6 52.6 -13.3 -3.5 149 149 A V E -df 77 179A 1 -73,-2.7 -71,-3.1 -2,-0.5 2,-0.7 -0.967 13.9-159.8-119.4 133.1 49.3 -11.5 -3.0 150 150 A L E -df 78 180A 2 29,-2.6 31,-3.1 -2,-0.4 3,-0.5 -0.923 19.3-165.1-109.2 101.3 45.9 -13.2 -2.5 151 151 A D - 0 0 4 -73,-3.1 5,-0.2 -2,-0.7 31,-0.1 -0.755 67.9 -2.6 -92.2 131.7 43.3 -10.5 -3.5 152 152 A E S >> S+ 0 0 49 -2,-0.4 4,-2.1 -107,-0.1 3,-0.5 0.960 72.6 178.3 54.0 56.5 39.7 -11.1 -2.5 153 153 A A H 3> S+ 0 0 0 28,-2.8 4,-2.6 -3,-0.5 5,-0.2 0.850 73.3 60.1 -58.2 -36.1 40.4 -14.5 -0.9 154 154 A D H 3> S+ 0 0 32 27,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.901 107.0 46.1 -62.4 -39.0 36.7 -14.9 0.2 155 155 A E H <> S+ 0 0 77 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.903 109.5 54.0 -68.9 -40.4 35.6 -14.7 -3.4 156 156 A M H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 4,-0.4 0.922 112.5 46.0 -59.0 -40.2 38.3 -17.1 -4.5 157 157 A L H ><5S+ 0 0 48 -4,-2.6 3,-1.8 1,-0.2 5,-0.3 0.954 109.5 52.8 -62.9 -50.2 36.9 -19.4 -1.9 158 158 A S H 3<5S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.754 108.7 51.4 -63.6 -24.5 33.3 -18.9 -2.9 159 159 A M T 3<5S- 0 0 84 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.453 120.6-104.5 -90.4 -5.4 34.1 -19.8 -6.5 160 160 A G T < 5S+ 0 0 31 -3,-1.8 3,-0.4 -4,-0.4 4,-0.2 0.674 80.4 129.2 93.8 20.9 35.9 -23.0 -5.7 161 161 A F >< + 0 0 43 -5,-2.8 4,-2.9 1,-0.2 5,-0.3 0.285 32.7 109.7 -92.0 13.2 39.5 -21.9 -6.1 162 162 A E H > S+ 0 0 32 -5,-0.3 4,-2.3 -6,-0.3 -1,-0.2 0.923 82.0 44.1 -54.8 -46.0 40.8 -23.2 -2.7 163 163 A E H > S+ 0 0 114 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.901 114.0 48.3 -69.8 -40.7 42.8 -26.0 -4.2 164 164 A E H > S+ 0 0 48 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.919 112.4 49.1 -67.2 -45.1 44.3 -24.0 -7.1 165 165 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.929 111.9 48.2 -60.6 -46.4 45.3 -21.2 -4.7 166 166 A E H X S+ 0 0 34 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.917 113.0 48.5 -59.8 -43.6 47.0 -23.6 -2.3 167 167 A A H X S+ 0 0 40 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.921 110.9 49.9 -66.7 -39.9 48.8 -25.4 -5.0 168 168 A L H >< S+ 0 0 0 -4,-2.7 3,-0.5 2,-0.2 4,-0.4 0.930 113.3 45.9 -64.5 -45.3 50.1 -22.1 -6.6 169 169 A L H >< S+ 0 0 1 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.910 107.3 58.6 -61.4 -42.3 51.4 -20.9 -3.2 170 170 A S H 3< S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.766 103.5 54.6 -57.3 -25.8 52.9 -24.3 -2.6 171 171 A A T << S+ 0 0 43 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.526 93.8 83.2 -87.3 -10.5 55.0 -23.7 -5.8 172 172 A T S < S- 0 0 7 -3,-1.6 -29,-0.2 -4,-0.4 -26,-0.1 -0.629 93.5 -93.5 -88.8 159.2 56.4 -20.4 -4.7 173 173 A P > - 0 0 28 0, 0.0 3,-2.4 0, 0.0 -2,-0.1 -0.541 25.4-131.9 -74.0 133.7 59.5 -20.1 -2.5 174 174 A P T 3 S+ 0 0 102 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.631 101.6 75.2 -64.2 -10.2 58.8 -19.8 1.2 175 175 A S T 3 S+ 0 0 94 -30,-0.1 -29,-0.1 2,-0.1 -3,-0.0 0.614 78.3 107.5 -70.5 -16.4 61.3 -16.9 1.3 176 176 A R S < S- 0 0 13 -3,-2.4 2,-0.4 -31,-0.1 -29,-0.2 -0.076 76.7-115.7 -57.6 157.1 58.6 -14.7 -0.4 177 177 A Q E - f 0 147A 4 -31,-3.1 -29,-2.7 -138,-0.1 2,-0.4 -0.839 32.5-158.1 -83.9 136.3 56.5 -12.0 1.2 178 178 A T E - f 0 148A 2 -2,-0.4 -137,-1.3 -31,-0.2 2,-0.4 -0.980 10.8-171.3-123.9 130.4 52.8 -12.9 1.2 179 179 A L E -af 41 149A 2 -31,-2.4 -29,-2.6 -2,-0.4 2,-0.5 -0.996 8.4-165.1-120.2 128.5 49.9 -10.4 1.5 180 180 A L E -af 42 150A 0 -139,-2.4 -137,-2.6 -2,-0.4 2,-0.5 -0.972 6.7-165.4-122.0 123.3 46.4 -11.8 2.0 181 181 A F E +a 43 0A 11 -31,-3.1 -28,-2.8 -2,-0.5 2,-0.3 -0.955 22.8 153.6-112.5 120.5 43.2 -9.8 1.6 182 182 A S - 0 0 0 -139,-1.9 -136,-0.1 -2,-0.5 -2,-0.1 -0.939 32.1-156.4-151.0 115.8 40.0 -11.4 3.0 183 183 A A S S+ 0 0 17 -2,-0.3 23,-0.1 -139,-0.2 -1,-0.1 0.840 94.5 20.9 -64.7 -37.2 37.0 -9.4 4.2 184 184 A T S S- 0 0 86 -139,-0.1 -1,-0.2 -140,-0.0 -140,-0.1 0.441 88.9-134.9-116.7 -4.5 35.6 -12.1 6.6 185 185 A L - 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