==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 16-SEP-10 3OVA . COMPND 2 MOLECULE: CCA-ADDING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR B.C.PAN,Y.XIONG,T.A.STEITZ . 430 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 13.7 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 . 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 . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 2 0 0 2 3 0 4 0 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 0 1 2 3 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 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 3 A V > 0 0 62 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -43.8 2.6 9.8 -9.2 2 4 A E H > + 0 0 142 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.816 360.0 50.3 -57.2 -33.9 -0.1 11.0 -11.7 3 5 A E H > S+ 0 0 140 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.852 109.5 50.8 -71.9 -38.2 1.5 14.5 -11.7 4 6 A I H > S+ 0 0 30 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.896 107.5 52.1 -66.1 -44.0 4.9 13.1 -12.5 5 7 A L H X S+ 0 0 18 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.807 106.7 55.2 -65.3 -30.9 3.7 10.9 -15.4 6 8 A E H X S+ 0 0 122 -4,-1.1 4,-0.6 -5,-0.2 -1,-0.2 0.939 112.0 42.1 -62.8 -49.7 2.0 14.1 -16.8 7 9 A K H >< S+ 0 0 113 -4,-1.7 3,-1.1 1,-0.2 4,-0.3 0.881 111.4 56.7 -62.4 -40.8 5.4 15.9 -16.8 8 10 A A H >X S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.2 4,-1.1 0.814 93.2 68.3 -63.6 -33.7 7.2 12.7 -18.1 9 11 A L H 3X S+ 0 0 38 -4,-1.6 4,-2.2 1,-0.3 -1,-0.2 0.809 92.1 61.4 -52.0 -33.7 4.9 12.7 -21.2 10 12 A E H << S+ 0 0 148 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.687 106.1 46.3 -69.8 -17.8 6.7 15.8 -22.3 11 13 A L H <4 S+ 0 0 66 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.708 119.8 36.5 -93.6 -24.1 9.9 13.9 -22.4 12 14 A V H < S+ 0 0 3 -4,-1.1 41,-1.8 -3,-0.2 -2,-0.2 0.654 98.2 81.0-106.7 -21.0 8.6 10.8 -24.2 13 15 A I S < S- 0 0 50 -4,-2.2 2,-0.2 -5,-0.2 39,-0.1 -0.787 76.6-127.7 -94.6 125.6 6.1 12.1 -26.8 14 16 A P - 0 0 8 0, 0.0 -2,-0.1 0, 0.0 39,-0.1 -0.495 28.0-122.3 -66.0 137.3 7.4 13.6 -30.0 15 17 A D >> - 0 0 91 -2,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.209 33.4 -90.8 -74.9 174.6 6.0 17.1 -30.8 16 18 A E H 3> S+ 0 0 177 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.752 124.8 54.2 -61.8 -28.6 4.1 18.0 -33.9 17 19 A E H 3> S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 109.3 46.3 -73.7 -39.5 7.2 18.9 -35.9 18 20 A E H <> S+ 0 0 34 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.882 113.2 49.5 -70.4 -41.2 9.0 15.6 -35.2 19 21 A V H X S+ 0 0 40 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.918 109.9 52.8 -58.7 -45.3 5.9 13.7 -36.1 20 22 A R H X S+ 0 0 119 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.919 106.6 52.2 -57.6 -46.5 5.7 15.8 -39.3 21 23 A K H X S+ 0 0 95 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.883 109.9 49.4 -55.8 -44.5 9.3 14.9 -40.2 22 24 A G H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.934 110.1 49.5 -59.9 -50.4 8.5 11.2 -39.8 23 25 A R H X S+ 0 0 97 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.854 112.1 48.2 -58.8 -39.4 5.4 11.4 -42.0 24 26 A E H X S+ 0 0 65 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.858 112.3 48.4 -71.4 -37.4 7.2 13.2 -44.8 25 27 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.893 112.3 50.1 -66.5 -42.2 10.1 10.7 -44.6 26 28 A E H X S+ 0 0 42 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.933 110.2 49.6 -56.9 -49.7 7.5 7.9 -44.7 27 29 A E H X S+ 0 0 93 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.882 111.8 48.7 -61.4 -37.5 5.8 9.5 -47.8 28 30 A E H X S+ 0 0 48 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.873 109.7 51.7 -71.0 -39.1 9.2 9.9 -49.5 29 31 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.944 109.5 49.2 -58.9 -53.2 10.1 6.2 -48.8 30 32 A R H X S+ 0 0 76 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.918 111.6 51.0 -51.6 -47.3 6.8 5.0 -50.3 31 33 A R H X S+ 0 0 154 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.898 113.1 43.5 -58.6 -46.4 7.4 7.1 -53.3 32 34 A R H X S+ 0 0 53 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.894 117.7 46.5 -65.4 -41.4 10.9 5.8 -53.9 33 35 A L H X>S+ 0 0 0 -4,-3.0 5,-1.8 1,-0.2 4,-0.6 0.867 110.4 51.6 -70.6 -40.3 9.7 2.2 -53.2 34 36 A D H <5S+ 0 0 94 -4,-3.3 3,-0.4 -5,-0.2 -1,-0.2 0.809 103.7 59.3 -65.1 -31.5 6.6 2.4 -55.5 35 37 A E H <5S+ 0 0 164 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.806 107.8 45.8 -66.9 -29.0 8.9 3.7 -58.3 36 38 A L H <5S- 0 0 89 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.581 108.5-127.2 -88.9 -11.4 10.8 0.4 -58.0 37 39 A G T <5 + 0 0 68 -4,-0.6 -3,-0.2 -3,-0.4 2,-0.2 0.786 52.5 161.8 69.5 29.9 7.6 -1.7 -57.9 38 40 A V < - 0 0 27 -5,-1.8 2,-0.6 1,-0.0 -1,-0.2 -0.486 42.3-125.4 -84.5 146.5 8.8 -3.3 -54.7 39 41 A E + 0 0 97 24,-0.2 24,-2.2 -2,-0.2 2,-0.3 -0.865 48.5 151.6 -92.1 119.0 6.6 -5.2 -52.2 40 42 A Y E -A 62 0A 38 -2,-0.6 2,-0.3 22,-0.2 22,-0.2 -0.894 32.0-153.8-141.8 165.6 7.1 -3.8 -48.7 41 43 A V E -A 61 0A 40 20,-1.9 20,-2.8 -2,-0.3 2,-0.5 -0.990 20.0-128.9-144.1 138.0 5.5 -3.2 -45.3 42 44 A F E +A 60 0A 13 -2,-0.3 2,-0.2 18,-0.2 18,-0.2 -0.753 43.2 158.8 -82.5 130.6 6.0 -0.5 -42.6 43 45 A V E > +A 59 0A 2 16,-1.6 4,-0.9 -2,-0.5 16,-0.7 -0.689 24.1 47.0-136.9-172.5 6.5 -2.2 -39.2 44 46 A G H > S- 0 0 10 84,-0.3 4,-1.1 -2,-0.2 3,-0.2 -0.185 106.4 -29.6 71.0-161.7 7.9 -1.5 -35.7 45 47 A S H >>S+ 0 0 25 1,-0.2 5,-2.3 2,-0.2 4,-0.8 0.782 132.7 55.9 -66.5 -34.1 7.5 1.6 -33.6 46 48 A Y H >45S+ 0 0 5 11,-0.5 3,-0.7 -3,-0.4 -1,-0.2 0.931 108.7 48.6 -62.3 -44.6 7.0 4.1 -36.4 47 49 A A H 3<5S+ 0 0 32 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.761 118.9 39.6 -68.0 -25.8 4.2 2.1 -37.8 48 50 A R H 3<5S- 0 0 18 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.452 105.9-124.6 -98.5 -2.6 2.5 1.9 -34.4 49 51 A N T <<5S+ 0 0 52 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.899 77.6 120.7 54.4 44.3 3.3 5.4 -33.2 50 52 A T < + 0 0 0 -5,-2.3 -4,-0.2 -6,-0.1 2,-0.2 0.132 35.2 127.8-118.0 16.1 5.1 4.0 -30.2 51 53 A W - 0 0 2 -6,-0.7 2,-0.2 1,-0.1 5,-0.1 -0.491 63.0-108.4 -80.2 147.6 8.5 5.5 -30.9 52 54 A L > - 0 0 16 3,-0.4 3,-2.6 -2,-0.2 -39,-0.2 -0.510 40.0 -95.8 -77.5 135.6 10.3 7.6 -28.2 53 55 A K T 3 S+ 0 0 78 -41,-1.8 -1,-0.1 1,-0.3 -40,-0.1 -0.250 111.6 11.5 -47.5 124.7 10.7 11.4 -28.7 54 56 A G T 3 S+ 0 0 61 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.400 113.7 83.3 85.1 -3.3 14.0 12.1 -30.3 55 57 A S < + 0 0 56 -3,-2.6 2,-0.4 2,-0.0 -3,-0.4 -0.260 57.3 158.6-126.8 44.4 14.7 8.5 -31.2 56 58 A L + 0 0 19 -5,-0.1 50,-0.6 -11,-0.0 2,-0.3 -0.563 7.6 165.1 -78.0 127.7 12.8 7.9 -34.4 57 59 A E E - b 0 106A 61 -2,-0.4 -11,-0.5 48,-0.1 2,-0.4 -0.950 25.1-145.0-136.6 125.3 13.7 5.1 -36.7 58 60 A I E - b 0 107A 0 48,-2.5 50,-2.6 -2,-0.3 2,-0.6 -0.711 11.7-149.1 -84.8 129.6 11.4 4.0 -39.6 59 61 A D E -Ab 43 108A 29 -16,-0.7 -16,-1.6 -2,-0.4 2,-0.5 -0.904 13.0-174.3-102.4 122.2 11.4 0.2 -40.3 60 62 A V E -Ab 42 109A 0 48,-2.9 50,-3.0 -2,-0.6 2,-0.5 -0.976 8.6-159.2-115.0 120.1 10.7 -0.9 -43.9 61 63 A F E -Ab 41 110A 9 -20,-2.8 -20,-1.9 -2,-0.5 2,-0.6 -0.883 7.3-147.9-102.9 123.5 10.4 -4.6 -44.5 62 64 A L E -Ab 40 111A 2 48,-3.0 50,-2.9 -2,-0.5 2,-0.8 -0.807 17.6-141.5 -88.9 121.8 10.9 -6.0 -48.0 63 65 A L E - b 0 112A 29 -24,-2.2 50,-0.2 -2,-0.6 -24,-0.2 -0.750 21.8-174.6 -95.6 107.6 8.7 -9.1 -48.4 64 66 A F E - b 0 113A 17 48,-3.3 50,-3.1 -2,-0.8 9,-0.0 -0.769 32.8 -99.0-101.5 144.5 10.4 -11.9 -50.4 65 67 A P > - 0 0 58 0, 0.0 3,-2.1 0, 0.0 50,-0.1 -0.310 34.5-119.0 -57.2 141.0 8.8 -15.2 -51.5 66 68 A E T 3 S+ 0 0 92 48,-0.5 47,-0.1 1,-0.3 49,-0.1 0.736 108.8 65.7 -52.7 -30.0 9.6 -18.1 -49.2 67 69 A E T 3 S+ 0 0 163 2,-0.0 -1,-0.3 0, 0.0 46,-0.0 0.675 77.7 108.0 -69.5 -19.3 11.4 -20.0 -52.0 68 70 A F S < S- 0 0 71 -3,-2.1 2,-0.1 1,-0.1 -4,-0.0 -0.263 74.6-113.0 -64.7 143.1 14.2 -17.4 -52.3 69 71 A S > - 0 0 53 1,-0.1 4,-2.0 4,-0.0 3,-0.3 -0.358 22.2-114.9 -69.1 155.6 17.6 -18.3 -51.1 70 72 A K H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.861 119.2 55.6 -54.5 -38.1 19.1 -16.5 -48.1 71 73 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.841 104.0 51.8 -67.7 -35.2 21.7 -15.1 -50.5 72 74 A E H > S+ 0 0 70 -3,-0.3 4,-2.9 2,-0.2 5,-0.5 0.896 106.0 55.7 -66.7 -41.8 19.1 -13.6 -52.8 73 75 A L H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.925 112.3 41.8 -55.9 -46.3 17.5 -11.9 -49.8 74 76 A R H X S+ 0 0 76 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.941 118.2 44.7 -67.7 -47.7 20.7 -10.2 -49.0 75 77 A E H X S+ 0 0 103 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.958 122.0 37.1 -58.8 -54.3 21.7 -9.3 -52.5 76 78 A R H X S+ 0 0 79 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.909 118.8 49.8 -66.6 -44.2 18.3 -8.0 -53.5 77 79 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.5 -2,-0.2 0.904 112.3 45.9 -61.3 -46.6 17.6 -6.4 -50.2 78 80 A L H X S+ 0 0 17 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.897 111.8 53.9 -63.7 -38.5 20.9 -4.5 -50.0 79 81 A E H X S+ 0 0 114 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.930 112.7 42.4 -59.0 -50.1 20.3 -3.5 -53.7 80 82 A I H X S+ 0 0 6 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.909 112.3 54.2 -64.1 -44.9 16.9 -2.0 -52.9 81 83 A G H >X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 3,-0.7 0.923 109.2 47.9 -55.8 -48.8 18.1 -0.4 -49.6 82 84 A K H 3< S+ 0 0 91 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.850 110.0 51.1 -62.4 -37.4 20.9 1.5 -51.3 83 85 A A H 3< S+ 0 0 71 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.720 113.6 47.1 -71.0 -19.7 18.7 2.8 -54.2 84 86 A V H << S+ 0 0 1 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.2 0.447 98.1 73.1-108.5 -6.4 16.1 4.1 -51.7 85 87 A L < - 0 0 12 -4,-0.7 17,-0.2 -3,-0.5 3,-0.1 -0.860 69.2-135.0-119.1 149.1 18.2 6.0 -49.0 86 88 A D S S- 0 0 92 15,-2.9 2,-0.3 -2,-0.3 16,-0.1 0.896 95.1 -4.3 -67.3 -42.9 20.0 9.3 -49.2 87 89 A S E S-C 101 0A 67 14,-0.6 14,-1.4 -3,-0.1 2,-0.3 -0.921 80.1-167.4-142.2 161.5 23.1 7.9 -47.5 88 90 A Y E -C 100 0A 116 -2,-0.3 2,-0.4 12,-0.2 12,-0.3 -0.993 18.6-155.4-153.9 156.8 23.6 4.4 -46.1 89 91 A E E -C 99 0A 123 10,-3.2 10,-2.4 -2,-0.3 2,-0.6 -0.998 8.7-157.7-130.0 139.5 25.6 2.0 -43.9 90 92 A I + 0 0 61 -2,-0.4 2,-0.3 8,-0.2 8,-0.1 -0.931 37.0 134.5-117.7 108.2 25.8 -1.7 -44.2 91 93 A R + 0 0 110 -2,-0.6 2,-0.3 6,-0.3 -2,-0.1 -0.908 18.2 140.6-154.6 117.5 27.0 -3.4 -41.0 92 94 A Y - 0 0 66 -2,-0.3 191,-0.2 1,-0.1 -2,-0.0 -0.970 46.3-132.5-155.7 163.0 25.4 -6.4 -39.4 93 95 A A S S- 0 0 50 -2,-0.3 -1,-0.1 2,-0.2 190,-0.0 0.848 88.7 -30.7 -89.1 -42.9 26.2 -9.6 -37.6 94 96 A E S S+ 0 0 128 1,-0.3 -2,-0.1 0, 0.0 0, 0.0 0.458 118.7 67.2-143.3 -60.4 24.1 -12.2 -39.4 95 97 A H S S- 0 0 23 1,-0.1 -1,-0.3 28,-0.0 -2,-0.2 -0.672 80.7-125.5 -83.4 121.2 20.8 -11.0 -40.9 96 98 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.258 43.2 142.0 -69.6 144.4 21.3 -8.5 -43.7 97 99 A Y - 0 0 70 13,-0.2 2,-0.5 2,-0.0 -6,-0.3 -0.950 40.9-120.2-168.2 165.6 19.8 -5.0 -43.8 98 100 A V E - D 0 109A 0 11,-2.5 11,-3.2 -2,-0.3 2,-0.4 -0.974 17.8-158.8-119.6 127.3 20.6 -1.5 -44.8 99 101 A H E +CD 89 108A 31 -10,-2.4 -10,-3.2 -2,-0.5 2,-0.2 -0.874 33.2 128.6-100.1 138.9 20.6 1.5 -42.4 100 102 A G E -CD 88 107A 2 7,-2.7 7,-2.3 -2,-0.4 2,-0.4 -0.827 47.8 -92.2-161.8-158.4 20.3 5.0 -43.9 101 103 A V E -CD 87 106A 33 -14,-1.4 -15,-2.9 -2,-0.2 -14,-0.6 -0.998 19.3-175.1-139.8 132.6 18.6 8.3 -43.9 102 104 A V E > S- D 0 105A 0 3,-2.5 3,-2.0 -2,-0.4 -73,-0.1 -0.985 81.1 -19.0-127.9 121.6 15.6 9.7 -45.8 103 105 A K T 3 S- 0 0 99 -2,-0.4 -78,-0.1 1,-0.3 3,-0.1 0.893 129.2 -49.3 50.1 49.2 14.8 13.4 -45.3 104 106 A G T 3 S+ 0 0 48 1,-0.2 2,-0.4 -79,-0.1 -1,-0.3 0.336 115.3 114.5 76.9 -5.6 16.7 13.6 -42.1 105 107 A V E < - D 0 102A 7 -3,-2.0 -3,-2.5 -84,-0.1 -1,-0.2 -0.832 67.9-118.0-103.7 135.6 15.1 10.5 -40.6 106 108 A E E -bD 57 101A 86 -50,-0.6 -48,-2.5 -2,-0.4 2,-0.3 -0.422 35.9-175.6 -63.9 139.5 16.9 7.2 -39.7 107 109 A V E -bD 58 100A 0 -7,-2.3 -7,-2.7 -50,-0.2 2,-0.5 -0.997 21.3-156.3-141.2 137.0 15.6 4.1 -41.6 108 110 A D E -bD 59 99A 21 -50,-2.6 -48,-2.9 -2,-0.3 2,-0.6 -0.986 10.2-161.4-107.9 127.7 16.3 0.4 -41.6 109 111 A V E -bD 60 98A 1 -11,-3.2 -11,-2.5 -2,-0.5 -48,-0.2 -0.950 19.0-177.0-108.8 115.3 15.5 -1.4 -44.8 110 112 A V E -b 61 0A 10 -50,-3.0 -48,-3.0 -2,-0.6 2,-0.3 -0.944 22.0-141.4-126.1 123.3 15.2 -5.1 -44.0 111 113 A P E +b 62 0A 0 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.627 32.1 164.6 -81.1 136.8 14.6 -8.1 -46.3 112 114 A C E -b 63 0A 0 -50,-2.9 -48,-3.3 -2,-0.3 2,-0.3 -0.980 38.5 -97.7-147.4 160.0 12.3 -10.8 -44.8 113 115 A Y E -b 64 0A 7 -2,-0.3 2,-1.4 -50,-0.2 10,-0.1 -0.596 28.2-129.7 -81.1 138.1 10.4 -13.9 -46.0 114 116 A K + 0 0 113 -50,-3.1 -48,-0.5 -2,-0.3 2,-0.2 -0.709 45.1 174.0 -85.7 88.8 6.7 -13.5 -46.7 115 117 A L - 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M 0 363E 47 -27,-3.0 -28,-2.8 -2,-0.3 2,-0.3 -0.543 31.6-174.9 -79.5 145.2 50.4 -35.2 3.5 369 375 A W E -LM 339 362E 43 -7,-2.3 -7,-2.5 -30,-0.2 2,-0.4 -0.985 8.6-151.3-138.5 148.1 50.8 -31.6 2.3 370 376 A A E -L 338 0E 0 -32,-2.7 -32,-3.0 -2,-0.3 2,-0.4 -0.933 14.9-130.3-120.3 144.9 53.6 -30.0 0.3 371 377 A F E -L 337 0E 76 -2,-0.4 -12,-0.5 -34,-0.2 2,-0.3 -0.797 35.5-178.0 -83.5 135.1 54.9 -26.4 0.2 372 378 A E E -L 336 0E 40 -36,-2.6 -36,-2.2 -2,-0.4 2,-0.5 -0.880 21.9-119.6-133.6 159.9 55.1 -25.3 -3.5 373 379 A M E -L 335 0E 92 -2,-0.3 -38,-0.2 -38,-0.2 2,-0.1 -0.909 19.2-134.4-111.1 130.1 56.3 -22.1 -5.2 374 380 A R - 0 0 30 -40,-2.9 3,-0.1 -2,-0.5 -40,-0.0 -0.425 6.3-143.0 -71.6 151.4 54.2 -19.7 -7.3 375 381 A K S S+ 0 0 188 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.558 89.0 27.2 -86.4 -15.9 55.5 -18.4 -10.7 376 382 A F - 0 0 23 -42,-0.1 -1,-0.1 1,-0.1 -2,-0.0 -0.979 55.0-168.3-145.9 153.6 53.8 -15.0 -10.0 377 383 A T + 0 0 10 -2,-0.3 -45,-2.9 -3,-0.1 -1,-0.1 0.430 69.2 60.0-126.3 -2.6 52.9 -13.0 -6.9 378 384 A T S > S- 0 0 22 -47,-0.2 4,-2.2 1,-0.1 -47,-0.2 -0.905 79.8-121.1-125.0 155.7 50.7 -10.2 -8.1 379 385 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.892 115.4 52.6 -60.8 -34.8 47.4 -10.2 -10.0 380 386 A E H > S+ 0 0 45 2,-0.2 4,-2.2 -50,-0.2 5,-0.2 0.910 109.0 47.1 -65.0 -47.0 49.1 -8.3 -12.8 381 387 A E H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 113.5 51.8 -58.7 -40.9 51.9 -10.7 -13.2 382 388 A G H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.935 110.1 45.7 -60.5 -50.1 49.3 -13.5 -13.1 383 389 A V H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 5,-0.3 0.869 109.3 56.4 -66.3 -35.6 47.1 -12.0 -15.9 384 390 A R H X S+ 0 0 141 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.932 112.4 42.2 -58.6 -46.4 50.2 -11.3 -18.0 385 391 A S H X S+ 0 0 54 -4,-1.9 4,-1.7 2,-0.2 5,-0.3 0.947 118.3 46.3 -62.9 -48.9 51.0 -15.0 -17.8 386 392 A Y H X S+ 0 0 6 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.934 114.0 44.8 -62.8 -52.3 47.4 -16.0 -18.4 387 393 A A H < S+ 0 0 1 -4,-3.5 4,-0.2 1,-0.2 -1,-0.2 0.798 112.0 54.0 -64.4 -31.2 46.5 -13.7 -21.3 388 394 A S H < S+ 0 0 63 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.854 121.8 27.9 -71.3 -37.5 49.8 -14.5 -23.1 389 395 A T H < S+ 0 0 97 -4,-1.7 3,-0.3 -3,-0.2 -2,-0.2 0.749 126.0 44.1 -95.7 -27.9 49.3 -18.3 -23.0 390 396 A H >< + 0 0 89 -4,-3.1 3,-1.2 -5,-0.3 4,-0.2 -0.012 69.2 122.0-109.1 28.8 45.4 -18.4 -23.0 391 397 A W G > + 0 0 70 -4,-0.2 3,-2.1 1,-0.2 -1,-0.2 0.891 68.9 64.3 -52.6 -41.0 44.6 -15.8 -25.6 392 398 A H G 3 S+ 0 0 149 1,-0.3 3,-0.3 -3,-0.3 -1,-0.2 0.703 98.6 52.3 -64.0 -21.8 42.7 -18.4 -27.7 393 399 A T G < S+ 0 0 42 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.389 89.1 82.4 -92.3 5.1 40.0 -18.9 -25.0 394 400 A L S < S- 0 0 0 -3,-2.1 -100,-0.4 1,-0.3 -1,-0.2 -0.044 112.5 -63.1-103.4 32.7 39.2 -15.2 -24.7 395 401 A G > - 0 0 10 -3,-0.3 4,-2.2 3,-0.2 5,-0.4 0.160 53.6 -91.7 97.2 144.2 36.8 -14.9 -27.7 396 402 A K H > S+ 0 0 142 3,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.934 121.7 18.8 -52.3 -56.2 37.5 -15.5 -31.4 397 403 A N H > S+ 0 0 45 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.897 127.3 50.3 -88.7 -43.8 38.4 -11.9 -32.3 398 404 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -3,-0.2 0.926 112.7 49.7 -56.9 -46.1 39.2 -10.5 -28.9 399 405 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.884 110.6 49.4 -62.9 -40.5 41.5 -13.5 -28.3 400 406 A E H X S+ 0 0 55 -4,-1.1 4,-1.3 -5,-0.4 -1,-0.2 0.872 111.5 48.7 -65.3 -39.5 43.3 -13.0 -31.6 401 407 A S H X S+ 0 0 9 -4,-2.4 4,-2.0 2,-0.2 -123,-0.3 0.909 109.9 51.2 -67.1 -43.3 43.8 -9.3 -30.9 402 408 A I H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.866 106.0 56.7 -58.5 -39.2 45.2 -10.0 -27.5 403 409 A R H < S+ 0 0 112 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.8 45.3 -58.5 -38.7 47.6 -12.5 -29.2 404 410 A E H < S- 0 0 138 -4,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.838 132.8 -16.9 -73.6 -37.7 48.8 -9.6 -31.4 405 411 A Y < + 0 0 74 -4,-2.0 -127,-0.4 -5,-0.1 2,-0.3 -0.867 62.6 153.9-171.0 133.0 49.2 -7.1 -28.5 406 412 A F - 0 0 40 -2,-0.3 2,-0.3 -3,-0.1 -129,-0.2 -0.971 12.9-167.9-153.5 160.8 48.1 -6.4 -25.0 407 413 A E E -J 276 0D 69 -131,-1.8 -131,-2.9 -2,-0.3 2,-0.5 -0.987 20.8-128.9-142.8 153.6 49.4 -4.5 -22.0 408 414 A I E -J 275 0D 42 -2,-0.3 2,-0.4 -133,-0.2 -133,-0.2 -0.915 29.3-168.0-103.5 128.7 48.4 -4.3 -18.3 409 415 A I E +J 274 0D 12 -135,-2.7 -135,-2.2 -2,-0.5 2,-0.2 -0.936 15.1 153.1-120.4 139.6 47.8 -0.8 -17.0 410 416 A S E >> +J 273 0D 51 -2,-0.4 4,-1.4 -137,-0.2 3,-0.6 -0.824 42.9 17.2-141.3-175.7 47.5 0.5 -13.4 411 417 A G H >> S- 0 0 32 -139,-0.5 4,-1.9 -2,-0.2 3,-0.8 0.021 119.5 -9.9 57.4-148.4 48.0 3.7 -11.3 412 418 A E H 3> S+ 0 0 115 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.828 136.7 56.7 -53.5 -38.2 48.4 7.2 -12.8 413 419 A K H <4 S+ 0 0 134 -3,-0.6 3,-0.4 1,-0.2 -1,-0.3 0.873 107.9 47.1 -62.0 -39.2 48.7 5.6 -16.2 414 420 A L H X< S+ 0 0 0 -4,-1.4 3,-1.7 -3,-0.8 5,-0.3 0.880 104.3 57.5 -73.2 -41.3 45.3 3.9 -15.8 415 421 A F H 3< S+ 0 0 10 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.641 101.0 60.9 -67.5 -13.5 43.3 6.9 -14.6 416 422 A K T 3< S+ 0 0 168 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.554 88.2 91.1 -86.3 -13.1 44.4 8.7 -17.8 417 423 A E S < S- 0 0 34 -3,-1.7 2,-2.1 -4,-0.2 3,-0.5 -0.445 97.2-101.9 -78.1 157.5 42.6 6.0 -19.9 418 424 A P S S+ 0 0 62 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.213 98.8 95.7 -75.7 51.8 38.9 6.6 -21.0 419 425 A V > + 0 0 0 -2,-2.1 4,-2.2 -5,-0.3 5,-0.1 0.182 41.0 108.1-125.0 14.1 37.7 4.1 -18.3 420 426 A T H > S+ 0 0 42 -3,-0.5 4,-2.3 1,-0.2 5,-0.2 0.857 78.4 52.2 -70.4 -37.7 36.8 6.4 -15.4 421 427 A A H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 112.7 45.9 -60.1 -47.8 33.1 6.0 -15.6 422 428 A E H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.883 111.2 52.4 -63.6 -42.7 33.4 2.2 -15.6 423 429 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.916 109.4 49.0 -61.2 -45.1 35.9 2.2 -12.7 424 430 A C H X>S+ 0 0 20 -4,-2.3 5,-2.6 2,-0.2 4,-0.6 0.912 113.5 46.1 -59.4 -45.9 33.5 4.4 -10.6 425 431 A E H ><5S+ 0 0 129 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.905 110.9 54.0 -63.1 -43.5 30.6 2.0 -11.3 426 432 A M H 3<5S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.803 116.2 37.6 -58.0 -35.2 32.8 -1.0 -10.6 427 433 A M H 3<5S- 0 0 10 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.385 110.3-116.4-103.0 0.4 33.7 0.4 -7.1 428 434 A G T <<5 + 0 0 55 -3,-0.7 2,-0.2 -4,-0.6 -3,-0.2 0.834 46.1 179.9 65.3 34.7 30.3 1.9 -6.2 429 435 A V < - 0 0 37 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.501 7.9-168.6 -67.3 128.8 31.8 5.4 -6.1 430 436 A K 0 0 177 -2,-0.2 -1,-0.0 -5,-0.0 -5,-0.0 -0.612 360.0 360.0-117.4 177.7 29.0 7.9 -5.2 431 437 A D 0 0 211 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.312 360.0 360.0 109.4 360.0 28.3 11.7 -5.2