==== 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 TRANSFERASE 29-AUG-07 2R3E . COMPND 2 MOLECULE: YJEF-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 276 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.5 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 . 1 0.4 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 . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 2 3 0 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 3 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 54 0, 0.0 2,-0.6 0, 0.0 199,-0.2 0.000 360.0 360.0 360.0 128.2 33.2 20.0 14.1 2 2 A R E -a 200 0A 51 197,-2.8 199,-3.0 196,-0.2 2,-0.5 -0.868 360.0-144.9 -96.0 120.2 36.3 21.7 15.6 3 3 A Y E -a 201 0A 146 -2,-0.6 199,-0.2 197,-0.2 2,-0.1 -0.735 28.3-118.0 -83.6 121.4 35.6 25.2 17.0 4 4 A L + 0 0 4 197,-2.9 2,-0.3 -2,-0.5 199,-0.1 -0.325 44.9 153.4 -70.3 142.0 38.7 27.3 16.4 5 5 A S >> - 0 0 44 -2,-0.1 3,-2.5 197,-0.1 4,-0.5 -0.889 63.7 -74.9-149.4 178.7 40.7 28.8 19.3 6 6 A K H >> S+ 0 0 105 1,-0.3 4,-1.8 -2,-0.3 3,-1.1 0.746 118.8 77.9 -55.1 -24.2 44.3 29.9 19.9 7 7 A D H 3> S+ 0 0 69 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.814 86.4 59.9 -57.8 -27.6 45.2 26.2 20.2 8 8 A I H <> S+ 0 0 0 -3,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.873 105.2 49.5 -64.4 -34.0 45.1 26.0 16.4 9 9 A L H - 0 0 94 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.419 28.4-116.1 -63.1 143.0 65.0 25.4 13.1 18 18 A S T 3 S+ 0 0 141 1,-0.3 2,-0.6 -2,-0.1 -2,-0.1 0.776 112.0 53.1 -48.0 -36.3 68.2 27.3 13.8 19 19 A D T 3 S+ 0 0 74 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.475 81.5 140.6-104.3 60.2 69.7 26.2 10.4 20 20 A S < - 0 0 35 -3,-0.6 2,-0.3 -2,-0.6 -4,-0.0 -0.776 32.4-160.7-106.9 148.3 66.8 27.3 8.0 21 21 A Y >> - 0 0 162 -2,-0.3 3,-1.0 1,-0.1 4,-0.6 -0.843 35.2-100.4-123.9 160.1 67.0 28.8 4.5 22 22 A K G >4 S+ 0 0 129 -2,-0.3 3,-1.8 1,-0.3 32,-0.2 0.841 117.9 54.2 -45.8 -50.1 64.4 30.8 2.5 23 23 A S G >4 S+ 0 0 54 1,-0.3 3,-2.4 2,-0.2 -1,-0.3 0.814 95.7 66.9 -65.0 -30.8 63.3 28.0 0.2 24 24 A N G <4 S+ 0 0 84 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.794 99.5 56.3 -50.8 -29.4 62.5 25.8 3.3 25 25 A F G << S- 0 0 24 -3,-1.8 29,-2.3 -4,-0.6 -1,-0.3 0.174 118.9-107.6 -98.7 16.5 59.8 28.4 3.8 26 26 A G < - 0 0 2 -3,-2.4 29,-1.7 27,-0.2 2,-0.5 0.417 15.5-101.5 86.0 149.5 58.2 27.9 0.4 27 27 A R E -b 55 0A 104 27,-0.2 67,-3.0 65,-0.1 68,-2.0 -0.967 37.7-167.5-109.1 119.4 57.9 29.6 -3.0 28 28 A V E -bc 56 95A 1 27,-2.7 29,-2.7 -2,-0.5 2,-0.5 -0.899 11.3-164.7-112.2 133.3 54.6 31.4 -3.5 29 29 A V E -bc 57 96A 3 66,-2.5 68,-2.6 -2,-0.4 2,-0.5 -0.987 8.5-163.6-114.3 123.5 53.2 32.7 -6.8 30 30 A L E -bc 58 97A 0 27,-2.7 29,-3.0 -2,-0.5 2,-0.5 -0.934 6.5-165.8-107.8 130.7 50.3 35.1 -6.4 31 31 A I E +bc 59 98A 0 66,-3.1 68,-2.6 -2,-0.5 2,-0.3 -0.968 39.3 65.6-125.9 122.0 48.3 35.7 -9.5 32 32 A G + 0 0 0 27,-2.1 29,-0.3 -2,-0.5 69,-0.2 -0.985 27.9 118.6 163.1-164.2 45.8 38.5 -10.0 33 33 A G - 0 0 0 67,-1.6 28,-2.0 -2,-0.3 69,-0.2 0.991 37.0-165.5 71.9 79.7 45.4 42.3 -10.2 34 34 A N - 0 0 19 67,-2.6 4,-0.3 26,-0.1 7,-0.1 0.035 47.7 -76.2 -73.2-168.3 44.1 43.5 -13.5 35 35 A R S S+ 0 0 151 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.719 131.7 37.4 -71.9 -20.4 44.3 47.1 -14.6 36 36 A Q S S+ 0 0 145 65,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.705 121.7 40.6 -94.6 -27.6 41.4 48.3 -12.3 37 37 A Y >> + 0 0 136 64,-0.4 3,-1.3 1,-0.2 4,-0.8 -0.073 65.5 128.8-120.6 31.2 42.1 46.1 -9.2 38 38 A G H 3> + 0 0 4 -4,-0.3 4,-1.9 1,-0.3 3,-0.3 0.813 67.9 67.1 -57.9 -31.4 45.8 46.1 -8.8 39 39 A G H 3> S+ 0 0 40 1,-0.2 4,-2.5 -3,-0.2 -1,-0.3 0.845 91.9 62.1 -58.6 -34.2 45.4 47.0 -5.2 40 40 A A H <> S+ 0 0 11 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.928 105.9 43.2 -57.9 -49.2 43.9 43.7 -4.4 41 41 A I H X S+ 0 0 0 -4,-0.8 4,-2.3 -3,-0.3 -1,-0.2 0.868 110.7 56.8 -70.1 -31.8 47.0 41.7 -5.4 42 42 A I H X S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.932 107.5 48.7 -63.8 -41.1 49.2 44.2 -3.6 43 43 A X H X S+ 0 0 40 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.905 110.9 49.4 -66.7 -37.9 47.2 43.5 -0.4 44 44 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.899 111.7 50.5 -62.5 -39.9 47.5 39.7 -0.8 45 45 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.936 108.2 50.7 -65.3 -45.5 51.3 40.2 -1.4 46 46 A E H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.923 112.6 47.4 -59.0 -42.4 51.8 42.3 1.7 47 47 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.906 111.8 50.6 -62.9 -46.0 49.9 39.6 3.8 48 48 A C H X>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 4,-0.5 0.947 113.5 43.6 -62.0 -47.8 52.0 36.8 2.2 49 49 A I H ><5S+ 0 0 33 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.926 114.9 48.9 -61.7 -47.3 55.3 38.4 2.9 50 50 A N H 3<5S+ 0 0 44 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.804 103.8 62.2 -65.7 -28.0 54.4 39.5 6.5 51 51 A S H 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.627 123.1-101.3 -72.4 -16.6 53.1 35.9 7.1 52 52 A G T <<5 + 0 0 18 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.521 58.2 165.9 108.3 8.7 56.7 34.5 6.6 53 53 A A < - 0 0 12 -5,-1.8 -1,-0.2 1,-0.1 -27,-0.2 -0.288 36.2-134.8 -55.9 138.3 56.6 33.1 3.0 54 54 A G S S+ 0 0 19 -29,-2.3 2,-0.4 -28,-0.5 -27,-0.2 0.942 82.8 4.6 -64.4 -49.1 60.2 32.4 1.9 55 55 A L E -b 27 0A 46 -29,-1.7 -27,-2.7 -30,-0.2 2,-0.4 -0.998 67.5-162.6-144.0 128.4 59.9 33.9 -1.6 56 56 A T E -b 28 0A 9 18,-0.5 20,-2.0 -2,-0.4 2,-0.4 -0.990 6.0-176.1-121.3 124.7 56.9 35.6 -3.1 57 57 A T E -bd 29 76A 20 -29,-2.7 -27,-2.7 -2,-0.4 2,-0.5 -0.969 11.3-153.9-118.9 137.7 56.5 36.2 -6.8 58 58 A V E -bd 30 77A 0 18,-3.0 20,-2.5 -2,-0.4 2,-0.7 -0.952 7.6-163.1-118.0 121.8 53.6 38.2 -8.2 59 59 A I E +bd 31 78A 0 -29,-3.0 -27,-2.1 -2,-0.5 2,-0.3 -0.935 41.6 130.4-100.6 110.9 52.1 37.8 -11.7 60 60 A T - 0 0 0 18,-2.2 20,-0.3 -2,-0.7 -27,-0.2 -0.966 65.0 -61.4-155.0 162.7 50.0 40.9 -12.3 61 61 A D > - 0 0 20 -28,-2.0 3,-2.7 -29,-0.3 4,-0.4 -0.264 46.8-124.2 -50.3 135.1 49.5 43.6 -14.8 62 62 A V G > S+ 0 0 81 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.785 109.3 71.7 -56.3 -25.4 52.7 45.6 -15.4 63 63 A K G 3 S+ 0 0 130 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.828 98.1 49.7 -52.6 -33.7 50.7 48.7 -14.5 64 64 A N G <> S+ 0 0 11 -3,-2.7 4,-1.9 -31,-0.2 -1,-0.2 0.505 85.3 86.4 -89.8 -5.1 50.7 47.4 -10.9 65 65 A H H <> S+ 0 0 23 -3,-1.3 4,-2.5 -4,-0.4 -1,-0.2 0.855 86.1 53.7 -68.7 -36.7 54.4 46.7 -10.5 66 66 A G H > S+ 0 0 52 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.972 113.7 38.2 -64.2 -59.5 55.4 50.2 -9.5 67 67 A P H > S+ 0 0 63 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.836 114.7 56.7 -61.8 -30.8 52.9 50.6 -6.6 68 68 A L H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 3,-0.5 0.945 109.6 44.6 -62.0 -48.8 53.5 47.0 -5.6 69 69 A H H < S+ 0 0 77 -4,-2.5 -1,-0.2 2,-0.2 -3,-0.1 0.771 105.1 62.3 -65.6 -28.8 57.3 47.6 -5.2 70 70 A A H < S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 122.1 22.9 -59.6 -34.9 56.7 50.9 -3.4 71 71 A R H < S+ 0 0 121 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.695 135.1 32.7-101.2 -31.1 55.0 48.8 -0.6 72 72 A C >< + 0 0 2 -4,-3.2 3,-1.7 -5,-0.2 -1,-0.2 -0.559 54.8 161.5-134.3 71.9 56.4 45.3 -1.2 73 73 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.653 71.2 73.3 -68.5 -13.2 60.0 45.4 -2.4 74 74 A E T 3 S+ 0 0 121 -3,-0.1 -18,-0.5 2,-0.1 2,-0.3 0.620 82.5 91.6 -71.2 -16.0 60.5 41.8 -1.3 75 75 A A S < S- 0 0 5 -3,-1.7 2,-0.3 -7,-0.1 -18,-0.2 -0.636 70.7-136.9 -88.8 139.6 58.3 40.5 -4.2 76 76 A X E -d 57 0A 89 -20,-2.0 -18,-3.0 -2,-0.3 2,-0.4 -0.710 26.9-144.6 -79.9 143.0 59.5 39.5 -7.6 77 77 A V E +d 58 0A 31 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.940 21.4 175.8-121.0 136.0 57.2 40.9 -10.3 78 78 A V E -d 59 0A 0 -20,-2.5 -18,-2.2 -2,-0.4 2,-0.2 -0.999 22.4-133.8-135.1 131.6 56.1 39.3 -13.6 79 79 A G > - 0 0 0 -2,-0.4 3,-1.7 -20,-0.2 -18,-0.2 -0.485 24.6-113.2 -82.2 159.1 53.7 40.7 -16.1 80 80 A F T 3 S+ 0 0 35 -20,-0.3 -19,-0.1 1,-0.3 -1,-0.1 0.789 115.9 57.4 -60.4 -28.9 50.9 38.9 -17.8 81 81 A E T 3 S+ 0 0 118 1,-0.2 2,-1.7 2,-0.0 -1,-0.3 0.503 79.9 89.7 -78.2 -11.4 52.7 39.3 -21.2 82 82 A E <> + 0 0 71 -3,-1.7 4,-3.0 1,-0.2 5,-0.3 -0.419 56.6 170.2 -87.2 65.5 55.9 37.5 -20.0 83 83 A T H > + 0 0 94 -2,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.789 68.7 44.0 -51.4 -44.6 54.5 34.2 -21.1 84 84 A V H > S+ 0 0 100 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.955 117.2 44.7 -71.1 -47.6 57.7 32.1 -20.7 85 85 A L H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 113.3 49.9 -62.9 -44.5 58.7 33.5 -17.3 86 86 A L H X S+ 0 0 7 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.930 110.2 50.6 -64.7 -40.0 55.2 33.3 -15.9 87 87 A T H X S+ 0 0 64 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.917 112.0 49.4 -57.6 -43.9 54.9 29.7 -17.0 88 88 A N H X S+ 0 0 66 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.903 109.1 49.3 -65.8 -43.3 58.3 29.0 -15.3 89 89 A V H X S+ 0 0 13 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.883 111.4 50.7 -67.8 -33.6 57.5 30.7 -12.0 90 90 A V H < S+ 0 0 0 -4,-2.0 3,-0.5 -5,-0.2 -1,-0.2 0.862 108.9 51.2 -68.2 -40.8 54.2 28.8 -11.7 91 91 A E H < S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.6 44.8 -63.5 -38.0 55.9 25.4 -12.4 92 92 A Q H < S+ 0 0 109 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.547 91.2 113.8 -84.4 -8.4 58.5 26.1 -9.7 93 93 A A < - 0 0 4 -4,-0.6 -65,-0.2 -3,-0.5 3,-0.1 -0.352 48.6-165.4 -69.7 142.1 55.9 27.3 -7.2 94 94 A D S S+ 0 0 66 -67,-3.0 30,-2.4 1,-0.3 2,-0.4 0.774 86.7 24.7 -84.9 -38.3 55.1 25.4 -3.9 95 95 A V E -ce 28 124A 0 -68,-2.0 -66,-2.5 28,-0.2 2,-0.5 -0.998 68.8-167.3-130.2 132.5 51.9 27.5 -3.5 96 96 A I E -ce 29 125A 0 28,-2.3 30,-3.0 -2,-0.4 2,-0.5 -0.993 0.7-171.1-118.7 125.2 49.8 29.2 -6.1 97 97 A L E -ce 30 126A 0 -68,-2.6 -66,-3.1 -2,-0.5 2,-0.4 -0.982 10.5-179.3-110.0 124.1 47.1 31.7 -5.2 98 98 A I E +ce 31 127A 0 28,-2.9 30,-2.6 -2,-0.5 -66,-0.2 -0.986 48.4 45.6-124.5 131.5 45.0 32.9 -8.1 99 99 A G > + 0 0 2 -68,-2.6 3,-2.6 -2,-0.4 31,-0.5 -0.047 52.5 128.2 142.6 -41.1 42.1 35.4 -8.0 100 100 A P T 3 S- 0 0 2 0, 0.0 -67,-1.6 0, 0.0 -1,-0.3 -0.304 101.3 -16.0 -57.0 121.1 42.6 38.6 -6.0 101 101 A G T 3 S+ 0 0 15 -69,-0.2 -67,-2.6 -61,-0.2 -64,-0.4 0.616 100.0 134.7 62.2 13.9 41.7 41.5 -8.3 102 102 A L < - 0 0 3 -3,-2.6 3,-0.3 -69,-0.2 6,-0.1 0.807 42.0-163.3 -68.1 -32.1 41.9 39.1 -11.2 103 103 A G - 0 0 10 -4,-0.4 -1,-0.1 1,-0.2 -70,-0.0 -0.196 30.7 -82.6 68.4-169.2 38.6 40.0 -13.0 104 104 A L S S+ 0 0 95 4,-0.1 -1,-0.2 29,-0.0 -2,-0.0 0.181 75.5 122.7-128.4 14.8 36.9 37.9 -15.7 105 105 A D S > S- 0 0 65 -3,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.011 73.8 -93.7 -82.0-179.5 38.6 38.5 -19.1 106 106 A A H > S+ 0 0 72 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.853 122.9 52.8 -69.6 -37.8 40.2 36.1 -21.6 107 107 A T H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.956 109.7 51.3 -63.0 -45.6 43.7 36.5 -20.3 108 108 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.908 110.6 48.4 -51.6 -46.2 42.4 35.7 -16.8 109 109 A Q H X S+ 0 0 97 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.921 111.3 50.1 -65.4 -40.5 40.7 32.6 -18.2 110 110 A Q H X S+ 0 0 107 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.892 109.5 49.8 -64.9 -40.9 43.8 31.5 -20.0 111 111 A I H X S+ 0 0 13 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.945 111.9 47.8 -64.0 -48.3 46.1 31.8 -17.0 112 112 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.935 112.2 50.4 -56.2 -48.0 43.6 29.8 -14.8 113 113 A K H X S+ 0 0 121 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.946 112.3 47.3 -55.7 -48.1 43.5 27.2 -17.6 114 114 A X H X S+ 0 0 33 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.912 112.6 49.2 -60.1 -42.1 47.3 27.1 -17.7 115 115 A V H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.938 114.2 44.6 -63.1 -46.6 47.5 26.8 -13.9 116 116 A L H >< S+ 0 0 17 -4,-2.8 3,-0.5 1,-0.2 27,-0.3 0.905 110.9 54.2 -65.2 -43.9 45.0 24.0 -13.6 117 117 A A H 3< S+ 0 0 81 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.907 117.0 36.4 -57.3 -43.9 46.6 22.1 -16.6 118 118 A Q H 3< S+ 0 0 44 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.531 82.3 135.0 -89.1 -6.4 50.1 22.1 -15.0 119 119 A H << - 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0 0 15 -3,-0.6 11,-3.0 -2,-0.4 2,-0.4 -0.134 15.6-163.8 -60.4 139.4 33.8 31.2 8.3 192 192 A T E -HI 186 201A 16 -6,-1.9 -6,-2.6 9,-0.2 2,-0.6 -0.980 7.8-147.8-128.8 139.0 33.6 27.4 8.1 193 193 A I E -HI 185 200A 1 7,-2.8 7,-2.1 -2,-0.4 2,-0.4 -0.942 11.3-164.8-115.9 119.2 36.1 25.1 6.4 194 194 A F E +H 184 0A 3 -10,-2.6 -10,-2.6 -2,-0.6 2,-0.2 -0.864 25.5 135.2-104.8 135.0 35.0 21.9 4.8 195 195 A H - 0 0 20 2,-0.5 -17,-0.1 -2,-0.4 -12,-0.1 -0.808 69.6 -63.8-154.5-168.5 37.3 19.1 3.9 196 196 A A S S+ 0 0 106 -2,-0.2 2,-0.0 -15,-0.1 -13,-0.0 0.787 116.6 44.8 -60.7 -31.1 37.8 15.3 4.0 197 197 A G S S- 0 0 35 1,-0.2 -2,-0.5 0, 0.0 0, 0.0 -0.002 114.3 -37.3 -97.0-153.7 37.8 15.4 7.8 198 198 A E S S- 0 0 113 1,-0.1 -196,-0.2 -4,-0.1 -1,-0.2 -0.563 70.5-110.7 -75.3 121.9 35.9 17.1 10.5 199 199 A P - 0 0 14 0, 0.0 -197,-2.8 0, 0.0 2,-0.5 -0.009 25.0-131.3 -54.2 156.0 34.9 20.7 9.5 200 200 A F E -aI 2 193A 3 -7,-2.1 -7,-2.8 -199,-0.2 2,-0.6 -0.946 14.4-157.1-109.9 130.5 36.5 23.7 11.2 201 201 A Q E -aI 3 192A 33 -199,-3.0 -197,-2.9 -2,-0.5 -9,-0.2 -0.922 11.2-140.8-111.4 115.2 34.3 26.4 12.5 202 202 A N - 0 0 7 -11,-3.0 -197,-0.1 -2,-0.6 39,-0.0 -0.407 8.5-162.4 -67.6 147.6 35.9 29.8 13.0 203 203 A T + 0 0 67 -2,-0.1 2,-0.2 -199,-0.1 -1,-0.1 0.243 60.5 62.8-119.1 11.7 34.9 31.8 16.1 204 204 A G + 0 0 5 -13,-0.1 -13,-0.3 2,-0.0 2,-0.2 -0.695 45.0 114.3-125.5-171.0 35.9 35.4 15.3 205 205 A G - 0 0 15 39,-0.4 -16,-0.1 -2,-0.2 39,-0.0 -0.330 32.3-156.9 125.2 144.4 35.1 38.1 12.8 206 206 A N > - 0 0 35 -2,-0.2 3,-1.7 1,-0.0 4,-0.0 -0.975 32.5-110.6-149.1 158.0 33.6 41.5 13.2 207 207 A P G > S+ 0 0 118 0, 0.0 3,-1.3 0, 0.0 50,-0.0 0.614 109.2 74.9 -66.6 -14.4 31.7 44.0 10.9 208 208 A G G 3 S+ 0 0 10 1,-0.2 49,-2.8 48,-0.1 40,-0.0 0.668 92.1 57.2 -64.2 -21.4 34.7 46.4 11.0 209 209 A X G < S+ 0 0 17 -3,-1.7 2,-2.1 47,-0.2 -1,-0.2 0.339 75.6 104.8 -87.8 2.4 36.5 44.0 8.7 210 210 A A < + 0 0 85 -3,-1.3 2,-0.3 4,-0.1 -1,-0.1 -0.472 58.8 109.3 -81.7 64.8 33.6 44.4 6.2 211 211 A T S > S- 0 0 50 -2,-2.1 3,-1.8 46,-0.1 4,-0.3 -0.974 80.1 -80.3-142.7 154.0 35.8 46.5 4.0 212 212 A G T 3 S+ 0 0 63 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.242 112.2 28.5 -60.2 131.9 37.4 46.0 0.6 213 213 A G T 3> S+ 0 0 10 45,-0.1 4,-2.1 46,-0.1 -1,-0.2 0.182 83.4 109.0 104.3 -14.9 40.7 44.0 0.7 214 214 A T H <> S+ 0 0 16 -3,-1.8 4,-2.1 1,-0.2 5,-0.1 0.908 83.8 44.8 -62.0 -39.9 39.9 41.9 3.8 215 215 A G H > S+ 0 0 22 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.832 109.5 56.2 -75.7 -31.3 39.5 38.8 1.7 216 216 A D H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.889 107.8 49.3 -61.3 -43.9 42.7 39.6 -0.3 217 217 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.939 110.7 50.0 -60.1 -50.4 44.6 39.7 3.0 218 218 A L H X S+ 0 0 6 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.916 108.7 52.2 -55.9 -45.0 43.2 36.4 4.2 219 219 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.891 109.1 49.7 -63.0 -37.5 44.1 34.7 0.9 220 220 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.874 111.0 49.7 -68.0 -37.5 47.7 35.9 1.2 221 221 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.911 110.1 50.7 -66.1 -46.5 47.9 34.6 4.8 222 222 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.948 111.8 47.7 -56.0 -48.3 46.5 31.2 3.7 223 223 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.922 113.1 48.0 -60.2 -45.7 49.1 31.1 0.9 224 224 A G H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.868 112.0 49.6 -62.5 -34.2 52.0 32.1 3.3 225 225 A F H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-0.9 0.936 110.5 48.7 -72.1 -44.2 50.9 29.5 5.9 226 226 A L H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 106.8 60.0 -65.3 -27.9 50.7 26.7 3.3 227 227 A A H 3< S+ 0 0 11 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.787 121.0 21.2 -64.8 -28.6 54.2 27.8 2.1 228 228 A Q H << S+ 0 0 32 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.652 112.2 60.0-115.3 -30.6 55.7 27.2 5.5 229 229 A F S < S- 0 0 23 -4,-2.6 -216,-0.1 1,-0.2 -217,-0.1 -0.434 93.6 -53.8-112.1 179.4 53.7 24.8 7.7 230 230 A K - 0 0 148 -218,-0.3 2,-2.0 1,-0.1 5,-0.3 -0.197 51.7-118.0 -57.6 141.9 52.4 21.2 7.6 231 231 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.339 77.8 109.6 -82.2 60.7 50.4 20.3 4.5 232 232 A T S >> S- 0 0 41 -2,-2.0 3,-1.9 1,-0.0 4,-0.6 -0.915 83.1-109.7-127.9 160.3 47.2 19.5 6.4 233 233 A I H 3> S+ 0 0 21 -2,-0.3 4,-2.0 1,-0.3 3,-0.4 0.761 110.8 75.2 -70.4 -20.0 44.0 21.5 6.5 234 234 A E H 3> S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.821 89.8 60.2 -51.7 -33.1 44.7 22.6 10.1 235 235 A T H <> S+ 0 0 1 -3,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.918 105.0 46.8 -66.4 -40.0 47.3 25.0 8.6 236 236 A I H X S+ 0 0 0 -4,-0.6 4,-2.2 -3,-0.4 -2,-0.2 0.904 109.8 53.2 -66.8 -41.6 44.5 26.7 6.6 237 237 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.847 106.7 54.1 -61.2 -36.6 42.3 26.8 9.7 238 238 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.899 107.9 49.1 -62.3 -42.4 45.3 28.5 11.5 239 239 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.953 112.7 47.7 -62.1 -48.4 45.5 31.2 8.8 240 240 A V H X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.922 113.4 47.4 -59.2 -47.4 41.7 31.8 9.0 241 241 A Y H X S+ 0 0 31 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.897 111.8 49.2 -63.4 -41.7 41.7 32.0 12.8 242 242 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.926 105.9 57.1 -68.5 -42.4 44.7 34.4 12.9 243 243 A H H X S+ 0 0 13 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.935 114.2 38.6 -48.9 -50.7 43.2 36.7 10.3 244 244 A S H X S+ 0 0 4 -4,-1.8 4,-2.9 2,-0.2 -39,-0.4 0.805 110.8 58.7 -76.9 -28.6 40.1 37.2 12.5 245 245 A L H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.947 111.2 41.9 -61.6 -48.0 42.0 37.3 15.8 246 246 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.949 115.6 51.3 -63.4 -46.0 44.1 40.2 14.6 247 247 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.901 110.3 48.2 -53.2 -47.9 40.9 41.9 13.1 248 248 A D H X S+ 0 0 47 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.903 112.1 49.4 -65.1 -41.3 39.0 41.4 16.3 249 249 A D H >< S+ 0 0 41 -4,-2.3 3,-1.0 -5,-0.2 4,-0.3 0.926 112.4 46.9 -61.9 -46.7 41.8 42.9 18.3 250 250 A L H >X S+ 0 0 29 -4,-3.0 4,-2.4 1,-0.2 3,-2.2 0.892 103.8 64.0 -59.8 -38.2 42.2 45.9 16.0 251 251 A A H 3< S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.664 86.1 72.8 -62.9 -17.9 38.4 46.4 16.1 252 252 A K T << S+ 0 0 160 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.796 118.6 16.0 -63.0 -29.9 38.6 47.2 19.8 253 253 A T T <4 S+ 0 0 118 -3,-2.2 2,-0.5 -4,-0.3 -2,-0.2 0.649 120.6 65.4-115.4 -23.0 40.1 50.5 18.9 254 254 A D < - 0 0 39 -4,-2.4 -1,-0.2 1,-0.1 -46,-0.1 -0.904 60.7-152.0-114.4 127.2 39.4 51.0 15.2 255 255 A Y S S+ 0 0 230 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.914 93.7 24.9 -63.4 -48.6 35.9 51.5 13.7 256 256 A V S S- 0 0 62 -47,-0.1 2,-0.7 -6,-0.1 -47,-0.2 -0.963 84.0-135.6-112.2 144.2 36.9 50.0 10.4 257 257 A V - 0 0 0 -49,-2.8 -46,-0.1 -2,-0.4 -6,-0.1 -0.869 15.9-143.2-100.8 108.0 39.9 47.6 10.3 258 258 A L >> - 0 0 98 -2,-0.7 3,-1.2 1,-0.1 4,-0.9 -0.509 12.8-133.6 -73.2 130.7 42.2 48.4 7.3 259 259 A P H >> S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 3,-0.7 0.850 102.5 62.6 -59.2 -35.6 43.5 45.2 5.8 260 260 A T H 3> S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 99.0 57.7 -55.3 -35.3 47.1 46.5 5.7 261 261 A K H <> S+ 0 0 72 -3,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.823 103.5 51.5 -65.2 -33.5 47.0 46.8 9.5 262 262 A I H X< S+ 0 0 0 -4,-0.9 3,-0.7 -3,-0.7 4,-0.5 0.943 111.5 47.3 -66.9 -50.3 46.2 43.1 9.8 263 263 A S H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.919 109.3 53.9 -55.0 -44.5 49.1 42.2 7.5 264 264 A Q H 3< S+ 0 0 113 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.721 105.9 54.4 -65.6 -25.2 51.5 44.5 9.5 265 265 A A T S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.5 5,-0.3 0.919 80.1 52.9 -59.7 -47.4 51.4 39.2 11.5 267 267 A P H > S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.903 113.6 43.1 -58.6 -39.4 55.1 39.0 12.6 268 268 A T H > S+ 0 0 103 -4,-0.3 4,-1.4 -3,-0.2 -2,-0.2 0.892 116.4 46.9 -75.4 -35.2 54.3 40.0 16.3 269 269 A Y H X S+ 0 0 46 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.917 111.6 50.6 -68.9 -45.5 51.2 37.8 16.6 270 270 A X H X S+ 0 0 18 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.872 107.3 53.6 -60.4 -38.6 52.9 34.8 15.0 271 271 A K H < S+ 0 0 168 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.899 104.2 57.7 -59.7 -41.7 55.9 35.1 17.4 272 272 A K H < S+ 0 0 152 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 117.5 30.8 -55.3 -42.4 53.4 35.1 20.3 273 273 A Y H < S+ 0 0 22 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.621 80.2 129.8 -97.0 -13.0 52.0 31.7 19.3 274 274 A A S < S- 0 0 20 -4,-1.8 -260,-0.3 -5,-0.2 -264,-0.1 -0.183 74.0-100.8 -53.5 124.0 54.9 29.9 17.7 275 275 A Q B j 14 0B 37 -262,-3.4 -260,-0.9 -266,-0.3 -1,-0.2 -0.280 360.0 360.0 -59.1 109.6 55.1 26.5 19.4 276 276 A P 0 0 127 0, 0.0 -261,-0.2 0, 0.0 -1,-0.1 0.866 360.0 360.0 -66.3 360.0 57.8 26.5 22.1