==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 01-FEB-08 2ZHA . COMPND 2 MOLECULE: CCA-ADDING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR Y.TOH,K.TOMITA . 437 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 4 0.9 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 0.2 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 . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 1 2 2 0 2 2 1 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 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 1 A M 0 0 177 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -9.3 16.6 5.0 7.5 2 2 A K >> - 0 0 97 246,-0.1 3,-1.7 1,-0.0 4,-1.6 -0.912 360.0 -86.3-117.8 147.2 13.4 3.0 7.2 3 3 A V H 3> S+ 0 0 30 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.573 124.9 38.0 -6.4 -73.8 10.2 3.1 9.4 4 4 A E H 3> S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.890 115.1 53.1 -60.4 -43.3 11.3 0.7 12.1 5 5 A E H <> S+ 0 0 109 -3,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.939 110.0 49.9 -58.6 -45.4 14.9 1.8 12.2 6 6 A I H X S+ 0 0 6 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.928 107.0 53.6 -57.5 -49.8 13.7 5.4 12.7 7 7 A L H X S+ 0 0 21 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.901 104.9 57.8 -52.7 -42.8 11.4 4.4 15.5 8 8 A E H >X S+ 0 0 111 -4,-2.1 3,-1.1 1,-0.2 4,-0.7 0.949 107.0 43.7 -53.1 -57.5 14.4 2.8 17.2 9 9 A K H >< S+ 0 0 66 -4,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.892 109.2 63.4 -55.8 -37.7 16.5 5.9 17.3 10 10 A A H >X S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.3 4,-1.0 0.779 88.2 65.8 -58.5 -32.4 13.3 7.6 18.4 11 11 A L H > - 0 0 59 1,-0.1 4,-2.3 -5,-0.0 3,-0.6 -0.739 32.5 -95.8-115.3 167.4 17.4 6.9 31.5 18 18 A E H >> S+ 0 0 144 -2,-0.2 4,-4.4 1,-0.2 3,-0.6 0.939 121.1 57.1 -46.2 -62.3 18.3 5.3 34.9 19 19 A E H 3> S+ 0 0 91 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.806 112.3 42.1 -36.7 -47.3 19.4 8.6 36.5 20 20 A E H <> S+ 0 0 31 -3,-0.6 4,-1.1 2,-0.2 -1,-0.3 0.857 119.7 42.2 -73.8 -37.6 16.0 10.1 35.8 21 21 A V H S+ 0 0 2 -4,-1.7 5,-1.0 -5,-0.4 4,-1.0 0.817 113.6 45.2 -56.0 -34.8 2.4 10.2 53.3 36 36 A D H <5S+ 0 0 85 -4,-3.3 2,-1.5 1,-0.2 -2,-0.2 0.897 100.5 64.4 -77.2 -44.7 2.3 7.1 55.5 37 37 A E T <5S+ 0 0 161 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.008 112.5 39.3 -72.2 36.4 3.7 8.8 58.6 38 38 A L T 45S- 0 0 93 -2,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.227 107.5-135.9-143.8 -39.2 0.5 10.8 58.5 39 39 A G T <5 + 0 0 58 -4,-1.0 2,-0.4 -5,-0.2 -3,-0.2 0.996 42.9 152.9 68.7 72.1 -1.6 7.9 57.4 40 40 A V < - 0 0 24 -5,-1.0 2,-0.3 26,-0.0 -1,-0.2 -0.997 50.7-107.8-129.2 135.7 -4.0 9.1 54.7 41 41 A E + 0 0 107 -2,-0.4 24,-1.5 24,-0.2 2,-0.3 -0.444 51.3 168.6 -65.4 121.9 -5.4 6.9 51.9 42 42 A Y E -A 64 0A 46 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.989 25.9-154.3-139.2 145.0 -3.6 7.8 48.7 43 43 A V E -A 63 0A 35 20,-2.6 20,-2.6 -2,-0.3 2,-0.5 -0.970 13.7-141.3-122.6 128.7 -3.4 6.4 45.2 44 44 A F E +A 62 0A 13 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.744 41.0 146.5 -84.5 129.2 -0.4 6.9 42.8 45 45 A V E > +A 61 0A 2 16,-1.4 4,-1.1 -2,-0.5 16,-0.7 -0.629 16.2 76.7-141.5-160.6 -1.6 7.4 39.2 46 46 A G H > S- 0 0 15 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 -0.130 100.4 -46.4 78.3-178.1 -0.8 9.3 36.0 47 47 A S H 4>S+ 0 0 28 1,-0.2 5,-3.2 2,-0.2 6,-0.8 0.810 134.4 59.1 -59.6 -30.0 2.0 8.5 33.6 48 48 A Y H >45S+ 0 0 5 11,-0.5 3,-2.0 -3,-0.3 -1,-0.2 0.971 103.9 47.2 -64.8 -55.2 4.5 8.0 36.4 49 49 A A H 3<5S+ 0 0 30 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.905 119.0 42.6 -51.0 -45.7 2.6 5.2 38.1 50 50 A R T 3<5S- 0 0 18 -4,-1.7 -1,-0.3 92,-0.0 -2,-0.2 0.306 110.8-119.2 -88.8 10.6 2.1 3.5 34.8 51 51 A N T < 5S+ 0 0 55 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.935 81.0 116.0 54.1 51.2 5.6 4.1 33.5 52 52 A T < + 0 0 0 -5,-3.2 -4,-0.2 96,-0.1 -5,-0.1 0.219 35.4 126.9-131.2 10.2 4.4 6.1 30.5 53 53 A W - 0 0 1 -6,-0.8 2,-0.2 -5,-0.1 5,-0.1 -0.410 62.6-107.7 -74.6 150.3 5.9 9.5 31.3 54 54 A L > - 0 0 17 3,-0.3 3,-2.0 1,-0.1 -39,-0.2 -0.463 40.9 -90.4 -77.0 144.2 8.1 11.3 28.7 55 55 A K T 3 S+ 0 0 90 -41,-2.4 -1,-0.1 1,-0.3 -40,-0.1 -0.324 116.9 12.0 -55.0 126.3 11.9 11.6 29.0 56 56 A G T 3 S+ 0 0 59 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.746 108.0 93.6 75.7 22.2 12.5 14.8 30.9 57 57 A S < + 0 0 47 -3,-2.0 -3,-0.3 2,-0.0 2,-0.2 -0.227 51.3 161.1-137.8 43.4 8.9 15.2 31.9 58 58 A L + 0 0 21 -5,-0.1 50,-0.4 -11,-0.0 2,-0.3 -0.462 2.9 154.5 -70.1 137.0 8.9 13.5 35.3 59 59 A E - 0 0 76 -2,-0.2 2,-0.6 48,-0.1 -11,-0.5 -0.807 31.5-145.9-167.4 119.0 5.9 14.4 37.4 60 60 A I E - b 0 109A 1 48,-2.0 50,-3.2 -2,-0.3 2,-0.4 -0.841 15.0-160.9 -93.8 119.2 4.4 12.3 40.2 61 61 A D E -Ab 45 110A 34 -16,-0.7 -16,-1.4 -2,-0.6 2,-0.4 -0.842 7.9-174.8-102.2 138.2 0.7 12.6 40.6 62 62 A V E -Ab 44 111A 0 48,-1.5 50,-2.7 -2,-0.4 2,-0.6 -0.964 10.0-157.3-137.3 117.7 -1.0 11.5 43.8 63 63 A F E -Ab 43 112A 14 -20,-2.6 -20,-2.6 -2,-0.4 2,-0.7 -0.839 11.5-144.6 -99.8 123.5 -4.8 11.4 44.4 64 64 A L E -Ab 42 113A 0 48,-2.6 50,-2.5 -2,-0.6 2,-0.7 -0.754 17.0-144.9 -86.0 115.0 -6.0 11.6 48.0 65 65 A L E - b 0 114A 25 -24,-1.5 50,-0.2 -2,-0.7 -24,-0.2 -0.734 20.8-177.4 -89.4 114.1 -9.1 9.4 48.3 66 66 A F E - b 0 115A 13 48,-2.3 50,-1.7 -2,-0.7 9,-0.0 -0.712 31.9 -89.7-106.8 158.8 -11.7 10.8 50.7 67 67 A P - 0 0 52 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.110 33.9-112.8 -61.7 161.2 -15.1 9.2 51.8 68 68 A E S S+ 0 0 110 1,-0.2 -2,-0.0 48,-0.1 47,-0.0 0.960 113.8 56.2 -57.4 -54.5 -18.4 9.8 49.9 69 69 A E S S+ 0 0 141 2,-0.0 -1,-0.2 46,-0.0 46,-0.0 0.760 83.0 106.9 -50.0 -39.7 -19.8 11.7 52.9 70 70 A F S S- 0 0 72 -3,-0.2 2,-0.4 1,-0.1 -4,-0.0 0.096 74.0-110.0 -46.6 157.5 -17.1 14.3 53.2 71 71 A S >> - 0 0 61 1,-0.1 4,-2.3 4,-0.0 3,-0.9 -0.730 18.1-126.2 -94.4 137.0 -17.6 18.0 52.1 72 72 A K H 3> S+ 0 0 124 -2,-0.4 4,-2.2 1,-0.3 5,-0.2 0.848 115.9 58.2 -51.3 -32.0 -15.8 19.2 49.0 73 73 A E H 3> S+ 0 0 89 2,-0.2 4,-3.8 1,-0.2 -1,-0.3 0.917 104.5 49.1 -62.8 -42.4 -14.5 21.9 51.3 74 74 A E H <>>S+ 0 0 60 -3,-0.9 4,-2.2 1,-0.2 5,-0.6 0.905 106.8 59.3 -61.3 -39.3 -13.0 19.2 53.5 75 75 A L H X5S+ 0 0 0 -4,-2.3 4,-1.0 3,-0.2 -2,-0.2 0.909 115.9 30.9 -54.6 -49.6 -11.6 17.8 50.3 76 76 A R H X5S+ 0 0 110 -4,-2.2 4,-3.4 3,-0.2 5,-0.3 0.906 122.7 48.3 -79.4 -43.1 -9.6 21.0 49.6 77 77 A E H X5S+ 0 0 96 -4,-3.8 4,-2.8 -5,-0.2 -3,-0.2 0.994 122.3 34.2 -55.7 -68.6 -9.0 22.0 53.2 78 78 A R H X5S+ 0 0 85 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.786 119.2 55.0 -56.4 -34.1 -7.8 18.6 54.3 79 79 A G H X< - 0 0 8 -4,-1.6 3,-0.5 -5,-0.3 17,-0.2 -0.756 67.8-147.5 -98.7 135.5 5.8 18.5 50.1 88 88 A D T 3 S+ 0 0 86 15,-1.9 2,-0.5 -2,-0.4 -1,-0.1 0.981 97.5 10.2 -56.2 -59.9 9.2 20.2 50.2 89 89 A S T 3 S- 0 0 76 14,-0.6 -1,-0.3 2,-0.0 -5,-0.1 -0.788 83.7-167.0-124.8 87.7 8.0 23.4 48.5 90 90 A Y < - 0 0 131 -3,-0.5 2,-0.3 -2,-0.5 12,-0.2 -0.068 7.7-175.2 -71.5 177.0 4.2 23.5 48.1 91 91 A E - 0 0 98 2,-0.0 10,-2.2 8,-0.0 2,-0.4 -0.839 28.9-120.2-170.4 126.4 2.2 26.0 46.0 92 92 A I E -C 100 0A 71 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.676 36.0-173.0 -72.4 133.1 -1.6 26.2 45.8 93 93 A R E -C 99 0A 79 6,-2.9 6,-2.2 -2,-0.4 2,-0.3 -0.899 8.4-140.5-127.7 156.2 -2.8 25.5 42.3 94 94 A Y + 0 0 150 -2,-0.3 2,-0.3 4,-0.2 3,-0.1 -0.883 46.0 98.0-126.0 157.6 -6.3 25.8 40.8 95 95 A A S S- 0 0 65 -2,-0.3 4,-0.0 1,-0.1 -2,-0.0 -0.854 89.3 -1.1 160.8-150.0 -8.6 24.0 38.4 96 96 A E S S- 0 0 93 -2,-0.3 -1,-0.1 2,-0.0 3,-0.1 0.732 138.3 -9.0 -34.4 -94.3 -11.4 21.6 39.5 97 97 A H S S- 0 0 33 16,-0.2 -2,-0.1 1,-0.2 -24,-0.1 -0.603 104.4 -96.9 -83.6 165.5 -11.3 21.4 43.2 98 98 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.296 51.1-175.8 -78.0-178.0 -8.1 23.2 44.1 99 99 A Y E -C 93 0A 50 -6,-2.2 -6,-2.9 13,-0.1 2,-0.4 -0.940 20.7-108.3-160.8 179.2 -4.9 21.2 44.6 100 100 A V E -CD 92 111A 4 11,-2.0 11,-2.1 -2,-0.3 2,-0.4 -0.973 20.2-171.3-128.6 138.0 -1.2 21.5 45.6 101 101 A H E + D 0 110A 12 -10,-2.2 2,-0.2 -2,-0.4 9,-0.2 -0.978 24.3 132.3-126.0 136.7 1.9 21.1 43.5 102 102 A G E - D 0 109A 2 7,-2.0 7,-1.6 -2,-0.4 2,-0.3 -0.762 45.5 -82.4-155.8-158.3 5.5 21.0 44.9 103 103 A V E - D 0 108A 41 -2,-0.2 -15,-1.9 5,-0.2 -14,-0.6 -0.958 25.9-176.9-129.8 146.5 8.9 19.3 44.9 104 104 A V E > S- D 0 107A 1 3,-1.8 3,-1.8 -2,-0.3 -73,-0.1 -0.962 76.0 -19.8-143.2 123.4 10.3 16.2 46.7 105 105 A K T 3 S- 0 0 92 -2,-0.4 -78,-0.1 1,-0.3 -77,-0.1 0.796 132.5 -47.2 50.4 26.9 13.8 14.9 46.5 106 106 A G T 3 S+ 0 0 37 1,-0.3 2,-0.3 -79,-0.1 -1,-0.3 0.525 113.4 108.0 97.7 5.9 14.1 17.0 43.3 107 107 A V E < - D 0 104A 6 -3,-1.8 -3,-1.8 -84,-0.1 -1,-0.3 -0.907 68.8-108.0-125.5 151.2 11.0 16.1 41.4 108 108 A E E - D 0 103A 88 -50,-0.4 -48,-2.0 -2,-0.3 2,-0.3 -0.334 40.9-174.5 -65.1 146.6 7.7 17.8 40.5 109 109 A V E -bD 60 102A 0 -7,-1.6 -7,-2.0 -50,-0.2 2,-0.4 -0.995 17.5-157.8-150.7 141.5 4.7 16.4 42.3 110 110 A D E -bD 61 101A 10 -50,-3.2 -48,-1.5 -2,-0.3 2,-0.4 -0.931 2.7-168.0-118.3 143.4 0.9 16.9 42.2 111 111 A V E -bD 62 100A 6 -11,-2.1 -11,-2.0 -2,-0.4 -48,-0.2 -0.952 14.4-174.7-131.8 110.3 -1.4 16.1 45.1 112 112 A V E -b 63 0A 18 -50,-2.7 -48,-2.6 -2,-0.4 2,-0.4 -0.903 19.7-133.5-114.6 134.0 -5.1 16.1 44.1 113 113 A P E +b 64 0A 3 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.660 38.5 151.9 -84.3 133.2 -8.2 15.7 46.4 114 114 A C E -b 65 0A 0 -50,-2.5 -48,-2.3 -2,-0.4 2,-0.7 -0.992 47.0 -98.2-157.6 156.6 -10.9 13.3 45.2 115 115 A Y E -b 66 0A 8 -2,-0.3 2,-0.3 -50,-0.2 9,-0.1 -0.683 33.3-133.6 -83.0 114.2 -13.6 11.1 46.5 116 116 A K - 0 0 96 -50,-1.7 2,-0.3 -2,-0.7 -48,-0.1 -0.483 38.6-179.8 -64.1 121.8 -12.6 7.4 46.7 117 117 A L - 0 0 29 -2,-0.3 2,-0.5 11,-0.2 5,-0.1 -0.787 34.3-134.2-127.9 168.9 -15.5 5.4 45.2 118 118 A K S S+ 0 0 167 1,-0.3 3,-0.0 -2,-0.3 -2,-0.0 -0.989 84.6 14.9-118.8 127.9 -16.7 1.9 44.3 119 119 A E S S- 0 0 106 -2,-0.5 -1,-0.3 1,-0.1 4,-0.1 0.930 89.2 -99.8 66.3 106.1 -18.1 1.7 40.8 120 120 A P S S+ 0 0 26 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.546 105.0 82.9 -28.7 -25.4 -17.5 4.4 38.2 121 121 A K + 0 0 102 1,-0.2 -3,-0.2 2,-0.0 3,-0.1 -0.375 67.1 57.0 -79.2 164.0 -21.0 5.7 39.0 122 122 A N S S+ 0 0 103 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.465 83.5 160.9 87.1 7.2 -21.6 8.0 42.0 123 123 A I + 0 0 47 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 -0.472 18.0 170.1 -70.5 117.1 -19.1 9.9 40.0 124 124 A K + 0 0 113 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.941 55.8 11.9 -90.5 -72.4 -18.9 13.6 40.8 125 125 A S S > S- 0 0 19 -10,-0.1 3,-2.6 1,-0.0 4,-0.3 -0.794 80.8 -99.9-109.0 156.7 -16.0 15.5 39.3 126 126 A A G >> S+ 0 0 45 1,-0.3 3,-1.1 -2,-0.3 4,-0.8 0.729 120.5 60.3 -40.8 -33.2 -13.5 14.6 36.6 127 127 A V G 34 S+ 0 0 16 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.840 92.0 65.2 -70.2 -31.0 -10.9 13.8 39.3 128 128 A D G <4 S+ 0 0 1 -3,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.519 102.5 51.8 -68.8 -2.5 -13.2 11.1 40.8 129 129 A R T X> S+ 0 0 40 -3,-1.1 4,-2.0 -4,-0.3 3,-1.1 0.719 87.7 79.3-102.5 -30.5 -12.7 9.2 37.6 130 130 A T H 3X S+ 0 0 29 -4,-0.8 4,-2.2 -3,-0.5 3,-0.3 0.893 89.5 55.4 -44.0 -54.1 -8.9 9.3 37.4 131 131 A P H 3> S+ 0 0 22 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.818 107.4 49.2 -51.8 -37.8 -8.6 6.4 39.9 132 132 A F H <> S+ 0 0 37 -3,-1.1 4,-2.9 2,-0.2 5,-0.3 0.888 107.2 57.6 -69.3 -39.2 -10.7 4.2 37.8 133 133 A H H X S+ 0 0 11 -4,-2.0 4,-2.8 -3,-0.3 5,-0.3 0.972 105.5 47.4 -55.4 -57.8 -8.6 5.1 34.8 134 134 A H H X S+ 0 0 23 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.848 113.8 50.8 -55.1 -32.9 -5.4 3.9 36.3 135 135 A K H X S+ 0 0 138 -4,-1.3 4,-1.0 -5,-0.2 3,-0.4 0.980 112.6 41.5 -68.3 -57.5 -7.1 0.7 37.3 136 136 A W H < S+ 0 0 53 -4,-2.9 -2,-0.2 1,-0.2 3,-0.2 0.899 121.5 44.7 -54.8 -43.3 -8.6 -0.2 34.0 137 137 A L H >X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 3,-0.7 0.676 98.9 68.7 -77.8 -23.0 -5.4 0.8 32.3 138 138 A E H 3< S+ 0 0 69 -4,-1.6 4,-0.4 -3,-0.4 -1,-0.2 0.898 99.5 47.1 -69.6 -39.9 -2.8 -0.7 34.5 139 139 A G T 3< S+ 0 0 65 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.1 0.487 121.8 38.0 -79.7 -0.4 -3.5 -4.4 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A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.977 115.1 48.0 -57.0 -55.0 -9.7 48.2 10.1 386 386 A E H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 110.4 53.4 -51.2 -44.0 -7.8 49.7 13.1 387 387 A E H > S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.965 112.6 43.0 -55.5 -57.1 -10.2 52.6 13.1 388 388 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.832 112.1 52.8 -61.2 -37.2 -13.2 50.3 13.3 389 389 A V H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.4 0.872 105.0 55.2 -68.7 -34.9 -11.7 48.0 15.8 390 390 A R H X S+ 0 0 132 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.871 111.3 46.7 -63.1 -36.1 -10.9 50.9 18.2 391 391 A S H X S+ 0 0 52 -4,-1.5 4,-1.2 -5,-0.2 -2,-0.2 0.917 116.6 43.1 -70.5 -43.8 -14.5 51.7 17.9 392 392 A Y H >X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 3,-0.6 0.961 114.7 46.5 -68.0 -54.9 -15.6 48.1 18.5 393 393 A A H 3X S+ 0 0 1 -4,-3.3 4,-0.7 1,-0.3 3,-0.2 0.934 112.2 53.8 -53.9 -46.6 -13.2 47.2 21.4 394 394 A S H 3< S+ 0 0 65 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.797 122.4 26.8 -61.2 -31.1 -14.1 50.5 23.0 395 395 A T H << S+ 0 0 91 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.492 125.6 44.4-112.3 -3.4 -17.8 49.9 23.0 396 396 A H H >< + 0 0 87 -4,-2.6 3,-1.4 -3,-0.2 -2,-0.2 0.104 68.0 123.6-126.7 23.6 -18.0 46.0 23.0 397 397 A W G >< + 0 0 68 -4,-0.7 3,-1.5 1,-0.3 11,-0.1 0.825 66.6 66.3 -52.0 -37.9 -15.4 45.2 25.7 398 398 A H G > S+ 0 0 131 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.809 97.1 53.5 -59.4 -31.2 -18.0 43.3 27.7 399 399 A T G < S+ 0 0 40 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.135 88.0 78.7 -93.4 25.4 -18.4 40.6 25.1 400 400 A L G < S- 0 0 0 -3,-1.5 -100,-0.5 1,-0.4 -1,-0.2 0.197 115.7 -53.6-115.5 15.9 -14.7 39.6 24.7 401 401 A G <>> - 0 0 9 -3,-0.6 4,-1.9 3,-0.2 5,-0.6 0.033 51.3 -99.9 118.6 132.2 -14.5 37.5 27.8 402 402 A K H >5S+ 0 0 146 1,-0.2 4,-0.8 3,-0.2 -1,-0.1 0.930 123.9 22.7 -44.6 -54.2 -15.3 38.2 31.5 403 403 A N H >5S+ 0 0 46 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.925 126.2 46.5 -82.5 -49.1 -11.7 38.9 32.2 404 404 A V H >>5S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.6 0.975 112.4 53.6 -59.0 -51.2 -10.1 39.8 28.8 405 405 A G H 3X5S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.831 108.6 49.5 -50.5 -38.0 -13.0 42.1 28.2 406 406 A E H 3X< S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.928 106.7 59.6 -63.6 -46.9 -9.3 45.9 27.5 409 409 A R H 3< S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.760 110.1 43.3 -53.6 -27.0 -12.0 48.1 29.0 410 410 A E T 3< S- 0 0 126 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.498 135.7 -21.9 -99.4 -3.3 -9.4 49.5 31.3 411 411 A Y < + 0 0 55 -3,-1.9 -1,-0.4 -4,-0.4 2,-0.3 -0.602 63.3 147.6 160.6 139.5 -6.8 49.9 28.6 412 412 A F - 0 0 34 -2,-0.2 2,-0.3 -129,-0.2 -129,-0.2 -0.914 18.0-163.0-171.9 155.1 -5.8 48.6 25.2 413 413 A E E -I 282 0C 63 -131,-1.7 -131,-2.7 -2,-0.3 2,-0.6 -0.970 22.8-115.5-145.5 163.2 -4.1 50.1 22.2 414 414 A I E -I 281 0C 42 -2,-0.3 2,-0.4 -133,-0.2 -133,-0.2 -0.891 27.7-165.4-107.2 115.5 -3.7 49.2 18.5 415 415 A I E +I 280 0C 0 -135,-2.3 -135,-2.6 -2,-0.6 2,-0.3 -0.802 13.0 171.4 -99.6 138.3 -0.1 48.5 17.3 416 416 A S E > -I 279 0C 52 -2,-0.4 3,-1.0 -137,-0.2 -137,-0.2 -0.978 40.6 -33.6-153.4 137.4 0.8 48.4 13.6 417 417 A G G >> S+ 0 0 22 -139,-0.7 4,-2.1 -2,-0.3 3,-0.7 -0.359 119.9 20.8 66.9-134.2 3.8 48.1 11.3 418 418 A E G 34 S+ 0 0 133 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.805 135.5 39.4 -37.6 -45.6 7.1 49.6 12.3 419 419 A K G X> S+ 0 0 112 -3,-1.0 3,-0.8 1,-0.1 4,-0.7 0.818 112.1 57.9 -78.7 -32.4 6.1 49.6 16.0 420 420 A L G X4 S+ 0 0 0 -3,-0.7 3,-1.1 1,-0.2 5,-0.3 0.895 93.7 62.8 -65.7 -45.5 4.3 46.2 15.8 421 421 A F G 3< S+ 0 0 14 -4,-2.1 -1,-0.2 1,-0.3 5,-0.2 0.587 98.6 60.5 -58.8 -11.2 7.3 44.1 14.7 422 422 A K G <4 S+ 0 0 155 -3,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.833 85.1 89.9 -85.0 -37.6 9.0 45.1 17.9 423 423 A E S X< S- 0 0 32 -3,-1.1 2,-2.4 -4,-0.7 3,-0.8 -0.156 100.0 -99.3 -55.7 156.7 6.4 43.5 20.1 424 424 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.346 101.2 96.5 -77.4 59.0 7.0 39.8 21.0 425 425 A V T 3> + 0 0 0 -2,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.378 42.1 107.1-126.8 -2.3 4.6 38.7 18.3 426 426 A T H <> S+ 0 0 24 -3,-0.8 4,-2.8 1,-0.2 5,-0.2 0.893 81.7 46.3 -45.2 -55.8 6.9 37.9 15.4 427 427 A A H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 113.5 48.0 -59.1 -45.7 6.6 34.2 15.6 428 428 A E H > S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.916 113.8 49.2 -61.6 -40.5 2.9 34.2 15.9 429 429 A L H X S+ 0 0 1 -4,-2.8 4,-1.5 2,-0.2 6,-0.3 0.918 111.5 47.2 -63.4 -47.1 2.7 36.6 12.9 430 430 A C H <>S+ 0 0 8 -4,-2.8 5,-1.9 -5,-0.2 3,-0.5 0.947 115.0 47.5 -58.8 -49.0 5.1 34.5 10.7 431 431 A E H ><5S+ 0 0 144 -4,-2.5 3,-1.3 -5,-0.2 -2,-0.2 0.914 109.1 53.8 -56.3 -48.3 3.0 31.5 11.6 432 432 A M H 3<5S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.750 113.4 42.2 -59.8 -30.4 -0.3 33.3 10.9 433 433 A M T 3<5S- 0 0 13 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.298 108.9-120.1-100.9 4.3 0.9 34.3 7.4 434 434 A G T < 5 + 0 0 52 -3,-1.3 -3,-0.2 -4,-0.4 -4,-0.1 0.697 46.2 176.3 65.2 15.4 2.4 30.9 6.6 435 435 A V < - 0 0 26 -5,-1.9 2,-0.4 -6,-0.3 -1,-0.2 -0.238 22.5-137.1 -47.7 141.5 5.8 32.7 6.1 436 436 A K 0 0 177 -3,-0.1 -1,-0.1 1,-0.0 -5,-0.0 -0.934 360.0 360.0-124.5 137.1 8.2 29.8 5.4 437 437 A D 0 0 160 -2,-0.4 -177,-0.1 0, 0.0 -1,-0.0 -0.722 360.0 360.0 162.5 360.0 11.8 28.9 6.5