==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-DEC-11 3VMT . COMPND 2 MOLECULE: MONOFUNCTIONAL GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.Y.HUANG,H.W.SHIH,L.Y.LIN,Y.W.TIEN,T.J.R.CHENG,W.C.CHENG,C. . 440 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.5 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 . 2 0.5 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 . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 46.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 1 3 3 4 1 0 0 0 3 1 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 41 A R 0 0 212 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.6 -29.1 24.8 -54.2 2 42 A I > + 0 0 98 2,-0.1 4,-0.6 1,-0.1 5,-0.0 0.701 360.0 47.9 -96.1 -24.1 -32.3 25.5 -52.3 3 43 A L T 4 S+ 0 0 130 1,-0.2 -1,-0.1 2,-0.2 4,-0.1 0.372 106.3 59.5 -96.1 3.4 -31.7 22.8 -49.6 4 44 A L T > S+ 0 0 103 3,-0.1 4,-1.4 2,-0.1 -1,-0.2 0.632 102.7 51.0 -99.3 -21.2 -28.1 23.9 -49.0 5 45 A K H > S+ 0 0 99 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.759 111.7 44.9 -89.0 -29.0 -29.0 27.5 -48.0 6 46 A I H X S+ 0 0 78 -4,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.623 115.8 49.6 -86.4 -15.6 -31.7 26.5 -45.4 7 47 A L H > S+ 0 0 105 2,-0.2 4,-2.3 3,-0.1 -2,-0.2 0.839 113.0 46.0 -83.4 -40.8 -29.2 23.8 -44.1 8 48 A L H X S+ 0 0 105 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.928 111.6 51.5 -64.9 -47.0 -26.4 26.4 -43.9 9 49 A T H X S+ 0 0 73 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.848 115.4 41.3 -63.4 -36.2 -28.6 29.0 -42.2 10 50 A I H X S+ 0 0 103 -4,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.866 114.0 52.5 -76.6 -38.0 -29.7 26.5 -39.5 11 51 A L H X S+ 0 0 96 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.785 114.5 43.7 -67.2 -27.4 -26.3 25.1 -39.2 12 52 A I H X S+ 0 0 76 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.810 108.3 56.3 -86.3 -33.8 -24.9 28.6 -38.6 13 53 A I H X S+ 0 0 107 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.871 111.2 45.2 -67.2 -34.2 -27.7 29.8 -36.3 14 54 A I H X S+ 0 0 75 -4,-1.8 4,-3.5 2,-0.2 5,-0.2 0.883 112.6 49.1 -75.8 -40.4 -26.9 26.8 -34.0 15 55 A A H X S+ 0 0 58 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.868 111.9 51.3 -64.0 -35.3 -23.1 27.4 -34.2 16 56 A L H X S+ 0 0 100 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.938 112.3 46.1 -65.3 -46.8 -23.9 31.0 -33.4 17 57 A F H X S+ 0 0 75 -4,-2.1 4,-3.4 2,-0.2 -2,-0.2 0.973 113.0 47.7 -56.4 -60.3 -26.0 29.9 -30.4 18 58 A I H X S+ 0 0 80 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.889 113.7 51.0 -47.9 -43.8 -23.4 27.4 -29.2 19 59 A G H X S+ 0 0 23 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.949 110.5 44.8 -62.0 -53.2 -20.8 30.2 -29.6 20 60 A I H X S+ 0 0 94 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.931 110.9 57.1 -56.0 -45.0 -22.7 32.8 -27.7 21 61 A M H X S+ 0 0 15 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.906 103.5 52.9 -50.1 -48.3 -23.4 30.1 -25.1 22 62 A Y H X S+ 0 0 102 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.951 107.6 51.0 -51.3 -52.0 -19.6 29.7 -24.8 23 63 A F H >< S+ 0 0 139 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.847 107.3 54.0 -59.9 -35.5 -19.3 33.4 -24.2 24 64 A L H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.954 103.2 54.7 -60.2 -50.8 -21.9 33.2 -21.4 25 65 A S H 3< S+ 0 0 0 -4,-2.3 2,-0.8 1,-0.2 3,-0.4 0.645 86.1 109.4 -59.6 -13.2 -20.1 30.5 -19.6 26 66 A T S << S+ 0 0 45 -4,-0.7 -1,-0.2 -3,-0.6 3,-0.1 -0.855 78.5 32.5-107.5 96.5 -17.1 32.9 -19.6 27 67 A R + 0 0 166 -2,-0.8 -1,-0.3 86,-0.0 2,-0.2 0.778 58.0 110.1-151.7 163.3 -17.3 33.4 -16.8 28 68 A D S S- 0 0 37 -3,-0.4 2,-0.7 -2,-0.0 69,-0.0 -0.657 73.4-135.2 58.7 63.3 -18.0 31.7 -14.4 29 69 A N > - 0 0 48 -2,-0.2 3,-2.3 1,-0.1 4,-0.2 -0.771 12.0-157.7 -93.9 111.0 -14.4 31.7 -13.5 30 70 A V G > S+ 0 0 3 -2,-0.7 3,-1.1 1,-0.3 4,-0.3 0.616 86.0 78.9 -71.4 -5.8 -13.2 28.2 -12.5 31 71 A D G > S+ 0 0 77 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.791 81.0 72.3 -65.1 -26.0 -10.3 29.8 -10.5 32 72 A E G X S+ 0 0 64 -3,-2.3 3,-2.8 1,-0.3 4,-0.3 0.760 74.5 78.4 -59.0 -31.3 -13.0 30.3 -7.9 33 73 A L G X S+ 0 0 0 -3,-1.1 3,-2.0 1,-0.3 4,-0.4 0.809 78.3 73.1 -50.4 -31.9 -13.2 26.6 -7.1 34 74 A R G X S+ 0 0 104 -3,-1.4 3,-1.4 -4,-0.3 -1,-0.3 0.774 80.8 73.4 -56.8 -23.6 -10.0 27.1 -5.0 35 75 A K G X S+ 0 0 124 -3,-2.8 3,-1.8 1,-0.3 -1,-0.3 0.806 81.8 69.6 -62.7 -28.6 -12.3 28.9 -2.5 36 76 A I G X S+ 0 0 2 -3,-2.0 3,-1.5 -4,-0.3 -1,-0.3 0.816 87.7 65.4 -55.3 -30.9 -13.7 25.5 -1.4 37 77 A E G < S+ 0 0 62 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.646 89.7 67.8 -74.2 -9.4 -10.3 24.7 0.1 38 78 A N G < S+ 0 0 134 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.575 70.5 118.3 -83.8 -9.5 -10.8 27.5 2.6 39 79 A K S X S- 0 0 65 -3,-1.5 3,-2.3 -4,-0.2 -3,-0.0 -0.311 74.5-122.7 -61.2 139.3 -13.7 25.8 4.5 40 80 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.736 112.5 39.6 -54.0 -24.3 -13.0 25.0 8.1 41 81 A S T 3 S+ 0 0 34 91,-0.1 103,-0.4 2,-0.0 -1,-0.3 0.146 80.8 142.6-116.1 18.2 -13.7 21.4 7.4 42 82 A F < + 0 0 50 -3,-2.3 2,-0.3 -5,-0.1 -5,-0.1 -0.366 20.9 175.9 -57.9 133.2 -12.1 21.0 4.0 43 83 A V - 0 0 15 85,-0.2 100,-0.1 -2,-0.0 2,-0.1 -0.959 25.5-131.4-136.2 126.3 -10.4 17.6 3.6 44 84 A S > - 0 0 22 -2,-0.3 3,-1.8 1,-0.1 81,-0.1 -0.420 22.3-114.0 -78.4 155.3 -8.9 16.8 0.2 45 85 A A G > S+ 0 0 0 79,-0.6 3,-1.9 1,-0.3 8,-0.1 0.823 112.0 64.2 -61.6 -33.4 -9.7 13.4 -1.4 46 86 A D G 3 S+ 0 0 75 1,-0.3 -1,-0.3 78,-0.2 4,-0.1 0.684 98.2 56.4 -67.2 -15.8 -6.1 12.2 -1.2 47 87 A N G < S+ 0 0 53 -3,-1.8 110,-1.8 2,-0.1 111,-0.5 0.175 95.3 88.3 -97.5 18.5 -6.3 12.3 2.6 48 88 A M S < S- 0 0 5 -3,-1.9 108,-0.2 108,-0.2 5,-0.1 -0.897 88.6 -96.8-116.1 148.0 -9.3 10.0 2.6 49 89 A P >> - 0 0 20 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.186 37.4-116.9 -57.5 151.9 -9.5 6.2 2.7 50 90 A E H 3> S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.761 113.9 57.5 -66.4 -22.4 -9.9 4.7 -0.8 51 91 A Y H 3> S+ 0 0 47 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.789 102.1 55.0 -80.7 -23.0 -13.3 3.2 0.1 52 92 A V H <> S+ 0 0 0 -3,-0.8 4,-1.0 2,-0.2 3,-0.3 0.945 112.6 42.0 -70.0 -47.2 -14.6 6.6 1.1 53 93 A K H X S+ 0 0 27 -4,-1.6 4,-2.2 1,-0.2 3,-0.5 0.912 114.0 53.6 -61.6 -43.3 -13.7 8.0 -2.4 54 94 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.745 97.1 64.6 -66.4 -25.9 -15.0 4.8 -4.0 55 95 A A H X S+ 0 0 0 -4,-1.2 4,-1.0 -3,-0.3 -1,-0.2 0.923 112.6 35.5 -62.2 -41.7 -18.4 5.1 -2.3 56 96 A F H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.5 5,-0.5 0.851 118.1 50.6 -79.0 -40.1 -19.0 8.3 -4.3 57 97 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 3,-0.2 7,-0.2 0.936 112.3 45.4 -67.1 -46.3 -17.2 7.3 -7.5 58 98 A S H < S+ 0 0 1 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.851 121.5 39.3 -67.8 -34.9 -19.0 4.0 -7.9 59 99 A M H < S+ 0 0 24 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.846 131.9 21.7 -80.7 -37.3 -22.4 5.5 -7.1 60 100 A E H < S+ 0 0 30 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.736 137.7 1.1-109.1 -29.4 -22.0 8.8 -9.0 61 101 A D >< + 0 0 9 -4,-2.3 3,-2.3 -5,-0.5 4,-0.2 -0.389 55.2 178.6-165.9 73.9 -19.3 8.5 -11.7 62 102 A E T 3 S+ 0 0 89 -4,-0.3 3,-0.1 1,-0.3 -4,-0.1 0.584 88.6 46.2 -66.0 -10.5 -17.7 5.1 -12.0 63 103 A R T >> S+ 0 0 68 -6,-0.1 3,-1.7 1,-0.1 4,-1.3 0.048 76.2 133.5-112.7 24.1 -15.5 6.2 -14.9 64 104 A F T <4 S+ 0 0 1 -3,-2.3 3,-0.5 1,-0.3 5,-0.2 0.845 71.9 42.0 -40.9 -58.8 -14.5 9.5 -13.1 65 105 A Y T 34 S+ 0 0 92 1,-0.2 -1,-0.3 -4,-0.2 58,-0.1 0.650 109.8 62.2 -71.5 -14.3 -10.7 9.3 -13.8 66 106 A N T <4 S+ 0 0 118 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.2 0.884 95.4 61.1 -76.6 -41.0 -11.3 8.2 -17.4 67 107 A H S < S- 0 0 17 -4,-1.3 4,-0.1 -3,-0.5 0, 0.0 -0.064 72.6-128.4 -91.2-176.2 -13.1 11.1 -18.9 68 108 A H S S- 0 0 149 2,-0.5 50,-0.2 51,-0.0 51,-0.1 -0.075 79.5 -62.7-123.8 32.5 -12.5 14.8 -19.5 69 109 A G S S+ 0 0 4 -5,-0.2 2,-0.5 49,-0.1 21,-0.4 -0.059 121.2 76.7 114.8 -29.1 -15.7 16.2 -17.9 70 110 A F - 0 0 92 16,-0.1 2,-0.8 19,-0.1 -2,-0.5 -0.959 59.9-160.8-119.6 116.6 -18.2 14.6 -20.2 71 111 A D > - 0 0 12 -2,-0.5 4,-0.9 14,-0.3 5,-0.2 -0.865 5.8-166.3 -95.9 109.2 -19.2 10.9 -19.8 72 112 A L H >> S+ 0 0 101 -2,-0.8 4,-2.4 2,-0.2 3,-0.8 0.928 84.3 50.0 -63.3 -48.6 -20.8 9.9 -23.2 73 113 A K H 3> S+ 0 0 144 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.931 115.4 43.5 -55.0 -49.0 -22.3 6.6 -22.0 74 114 A G H 34 S+ 0 0 4 1,-0.2 11,-0.6 2,-0.2 -1,-0.3 0.582 114.8 51.1 -75.0 -10.3 -23.9 8.2 -19.0 75 115 A T H < S+ 0 0 69 -4,-2.4 3,-1.2 2,-0.2 -2,-0.2 0.908 116.0 47.9 -76.9 -48.4 -26.7 9.3 -23.8 77 117 A R T 3X S+ 0 0 109 -4,-2.3 4,-1.4 -5,-0.3 5,-0.2 0.839 107.5 61.8 -52.9 -32.4 -28.3 7.0 -21.2 78 118 A A T 34 S+ 0 0 31 1,-0.2 2,-2.5 -5,-0.2 -1,-0.3 0.771 78.9 83.3 -67.7 -29.3 -29.1 10.3 -19.6 79 119 A L T << S- 0 0 114 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 -0.131 126.2 -79.4 -73.4 46.5 -31.3 11.4 -22.5 80 120 A F T 4 S+ 0 0 193 -2,-2.5 -2,-0.2 -3,-0.2 -1,-0.2 0.983 84.2 143.8 56.3 71.9 -34.1 9.5 -21.0 81 121 A S < 0 0 71 -4,-1.4 -3,-0.1 1,-0.2 -1,-0.1 0.193 360.0 360.0-123.9 14.0 -33.2 5.9 -22.1 82 122 A T 0 0 186 -5,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.102 360.0 360.0 28.0 360.0 -34.4 4.0 -19.0 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 130 A G 0 0 103 0, 0.0 -9,-0.1 0, 0.0 -10,-0.0 0.000 360.0 360.0 360.0 144.1 -27.8 10.5 -14.4 85 131 A G + 0 0 20 -11,-0.6 2,-0.5 -14,-0.1 -14,-0.3 -0.883 360.0 98.5-124.2 28.7 -26.3 11.8 -16.3 86 132 A S - 0 0 23 -16,-0.1 -16,-0.1 -8,-0.1 -11,-0.0 -0.620 57.7-134.1 -87.2 125.1 -23.9 14.3 -14.8 87 133 A T > - 0 0 2 -2,-0.5 4,-2.3 -18,-0.3 5,-0.2 -0.241 33.6-102.1 -61.4 157.7 -20.3 13.4 -14.3 88 134 A I H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.847 124.7 55.9 -55.1 -34.1 -18.7 14.4 -10.9 89 135 A T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.950 106.8 47.7 -62.3 -50.5 -17.0 17.3 -12.8 90 136 A Q H > S+ 0 0 2 -21,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.890 109.7 54.2 -57.1 -39.6 -20.4 18.6 -14.1 91 137 A Q H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.830 104.2 54.8 -66.4 -31.8 -21.8 18.3 -10.5 92 138 A V H X S+ 0 0 4 -4,-1.6 4,-1.3 -3,-0.3 -1,-0.2 0.881 110.5 46.1 -66.6 -37.8 -19.0 20.4 -9.2 93 139 A V H X>S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-1.0 0.966 114.1 47.1 -68.6 -52.8 -19.9 23.2 -11.7 94 140 A K H X5S+ 0 0 40 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.947 113.5 48.7 -50.6 -54.3 -23.5 23.0 -10.9 95 141 A N H <5S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.764 120.4 34.5 -63.3 -28.0 -23.0 23.0 -7.2 96 142 A Y H <5S+ 0 0 70 -4,-1.3 3,-0.3 -3,-0.4 -1,-0.2 0.882 131.4 21.4 -95.5 -43.8 -20.6 26.0 -7.1 97 143 A F H <5S+ 0 0 41 -4,-2.7 2,-0.2 -5,-0.2 -3,-0.2 0.821 127.4 41.1 -96.3 -40.4 -21.8 28.3 -9.9 98 144 A Y << + 0 0 9 -4,-1.0 -1,-0.2 -5,-1.0 -2,-0.1 -0.416 59.8 146.0-110.3 54.3 -25.4 27.4 -10.5 99 145 A D S S+ 0 0 128 -3,-0.3 -1,-0.2 -2,-0.2 -4,-0.1 0.409 82.7 33.5 -66.0 6.8 -26.6 26.9 -6.9 100 146 A N S S+ 0 0 130 -6,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.728 104.8 50.3-127.1 -63.1 -29.8 28.3 -8.3 101 147 A D - 0 0 54 -7,-0.1 -1,-0.1 5,-0.0 -3,-0.0 -0.319 39.9-169.6 -95.5 170.0 -31.0 27.6 -11.9 102 148 A R + 0 0 121 -2,-0.1 2,-0.2 0, 0.0 5,-0.1 -0.421 31.2 143.5-157.1 73.3 -31.4 24.6 -14.1 103 149 A S - 0 0 52 1,-0.1 4,-0.4 0, 0.0 5,-0.1 -0.694 60.1-111.6-113.9 164.4 -32.1 25.4 -17.8 104 150 A F S >> S+ 0 0 150 -2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.909 122.4 44.8 -58.6 -43.4 -31.1 24.0 -21.2 105 151 A T H 3> S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 112.0 50.6 -67.9 -40.2 -29.0 27.0 -21.9 106 152 A R H 34 S+ 0 0 105 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.504 109.9 55.0 -74.4 -2.9 -27.5 26.9 -18.4 107 153 A K H <> S+ 0 0 67 -3,-0.5 4,-0.7 -4,-0.4 -2,-0.2 0.744 105.9 48.6 -96.7 -33.3 -26.9 23.2 -19.2 108 154 A V H >X S+ 0 0 24 -4,-1.5 4,-1.3 2,-0.2 3,-0.8 0.923 112.9 47.1 -70.1 -45.0 -24.9 24.0 -22.3 109 155 A K H 3X S+ 0 0 19 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.808 103.4 63.2 -70.4 -27.0 -22.7 26.6 -20.6 110 156 A E H 3> S+ 0 0 0 -4,-0.3 4,-2.1 -5,-0.2 -1,-0.3 0.804 100.1 55.4 -62.0 -28.9 -22.1 24.1 -17.8 111 157 A L H > - 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0 0 0 4,-3.2 49,-0.2 -2,-0.5 5,-0.1 0.140 54.4-102.1-111.6 13.7 -25.6 16.0 2.9 137 183 A G S > S+ 0 0 3 3,-0.4 3,-1.2 40,-0.1 -1,-0.3 0.092 98.5 68.7 81.9 160.4 -28.6 17.4 4.7 138 184 A D T 3 S- 0 0 63 1,-0.3 3,-0.1 -3,-0.1 -1,-0.0 0.834 129.7 -63.7 62.8 34.3 -28.8 19.2 8.0 139 185 A N T 3 S+ 0 0 123 1,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.743 99.2 142.4 63.4 24.5 -27.0 22.2 6.6 140 186 A Q < + 0 0 45 -3,-1.2 -4,-3.2 1,-0.1 -3,-0.4 -0.877 19.8 166.2-101.7 121.4 -23.9 20.1 6.0 141 187 A Y + 0 0 95 -2,-0.6 -7,-1.4 -6,-0.2 2,-0.4 0.351 57.7 64.9-116.2 2.4 -22.1 20.9 2.7 142 188 A T S > S- 0 0 8 -9,-0.2 4,-2.9 1,-0.1 -10,-0.3 -0.981 79.0-125.9-126.8 145.0 -18.7 19.1 3.3 143 189 A L H > S+ 0 0 0 -12,-3.1 4,-2.8 -2,-0.4 5,-0.1 0.884 111.8 47.2 -50.6 -44.7 -18.1 15.4 3.6 144 190 A E H > S+ 0 0 19 -103,-0.4 4,-3.2 2,-0.2 5,-0.2 0.895 110.5 50.1 -69.4 -45.0 -16.3 15.8 6.9 145 191 A G H > S+ 0 0 9 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.969 114.0 47.3 -52.3 -53.6 -18.9 18.1 8.4 146 192 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.5 0.917 113.2 47.8 -55.9 -46.8 -21.5 15.5 7.4 147 193 A A H X>S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.2 6,-1.5 0.918 115.0 45.3 -62.9 -45.9 -19.4 12.7 8.8 148 194 A N H X5S+ 0 0 61 -4,-3.2 4,-1.1 4,-0.3 -2,-0.2 0.944 116.9 46.1 -56.4 -51.5 -18.8 14.5 12.1 149 195 A H H <5S+ 0 0 88 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.941 121.5 30.5 -63.8 -56.3 -22.4 15.6 12.4 150 196 A Y H <5S+ 0 0 32 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.897 141.2 9.8 -73.3 -41.4 -24.3 12.3 11.6 151 197 A F H <5S- 0 0 54 -4,-1.6 -3,-0.2 -5,-0.5 -2,-0.2 0.543 85.5-126.2-120.5 -11.9 -21.8 9.7 12.9 152 198 A G S < - 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0 0 38 -2,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.220 18.3-110.0 -82.5 172.6 -42.2 -26.7 7.8 387 213 B V H > S+ 0 0 4 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.946 120.6 46.9 -64.6 -47.3 -40.0 -28.6 10.2 388 214 B L H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.932 108.4 55.7 -61.1 -46.9 -37.4 -29.2 7.6 389 215 B Q H > S+ 0 0 30 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.916 108.1 47.2 -51.2 -48.6 -37.4 -25.6 6.5 390 216 B S H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.769 108.9 56.0 -69.7 -22.8 -36.6 -24.4 10.0 391 217 B A H X S+ 0 0 0 -4,-1.4 4,-1.7 -3,-0.5 -1,-0.2 0.861 110.4 45.8 -68.6 -38.6 -33.9 -27.0 10.2 392 218 B I H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.958 113.0 46.7 -70.2 -52.0 -32.4 -25.5 7.1 393 219 B L H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.839 114.6 49.6 -59.3 -34.0 -32.6 -21.9 8.1 394 220 B A H X S+ 0 0 0 -4,-1.5 4,-0.6 -5,-0.2 3,-0.3 0.863 112.4 46.1 -72.8 -37.0 -31.2 -22.8 11.5 395 221 B S H < S+ 0 0 0 -4,-1.7 3,-0.2 1,-0.2 -2,-0.2 0.850 106.9 60.1 -72.3 -34.0 -28.3 -24.7 10.0 396 222 B K H >< S+ 0 0 21 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.762 90.9 71.8 -64.6 -27.8 -27.6 -21.9 7.5 397 223 B V H 3< S+ 0 0 21 -4,-0.8 -1,-0.2 -3,-0.3 -42,-0.2 0.930 111.7 19.8 -60.9 -57.5 -26.9 -19.3 10.2 398 224 B N T 3< S+ 0 0 78 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 -0.127 103.4 113.3-105.8 35.1 -23.5 -20.4 11.7 399 225 B A S < S- 0 0 15 -3,-1.0 -3,-0.0 1,-0.1 13,-0.0 -0.711 82.1 -73.5-104.3 157.2 -22.5 -22.5 8.7 400 226 B P > - 0 0 64 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.157 44.2-119.6 -43.5 136.9 -19.7 -21.9 6.2 401 227 B S T 3 S+ 0 0 129 1,-0.3 -2,-0.0 -3,-0.1 -5,-0.0 0.721 112.3 69.7 -55.6 -20.7 -20.6 -19.0 3.9 402 228 B V T 3 S+ 0 0 116 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.920 74.3 96.3 -63.4 -46.3 -20.3 -21.6 1.1 403 229 B Y < - 0 0 36 -3,-1.2 2,-0.4 1,-0.1 5,-0.1 -0.189 60.8-167.4 -47.8 130.7 -23.4 -23.5 2.2 404 230 B N - 0 0 54 3,-0.4 5,-0.1 1,-0.1 8,-0.1 -0.991 26.8-150.4-130.6 137.2 -26.4 -22.3 0.1 405 231 B I S S+ 0 0 16 -2,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.847 98.1 55.7 -69.6 -35.2 -30.1 -22.9 0.6 406 232 B N S S+ 0 0 103 1,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.852 122.7 21.7 -71.4 -37.8 -30.8 -22.7 -3.2 407 233 B N S S- 0 0 133 2,-0.0 -3,-0.4 0, 0.0 -1,-0.3 -0.874 83.7-160.2-133.0 104.2 -28.3 -25.5 -4.1 408 234 B M - 0 0 53 -2,-0.4 2,-0.2 -3,-0.3 -3,-0.1 -0.598 2.2-157.2 -93.3 143.6 -27.5 -27.8 -1.2 409 235 B S > - 0 0 56 -2,-0.3 4,-2.7 -5,-0.1 5,-0.4 -0.590 39.6 -93.6-110.2 170.5 -24.4 -30.1 -1.0 410 236 B E H > S+ 0 0 164 1,-0.2 4,-1.2 -2,-0.2 5,-0.1 0.786 127.2 53.9 -53.0 -28.6 -23.6 -33.2 1.0 411 237 B N H > S+ 0 0 96 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.938 111.0 41.7 -72.0 -49.0 -22.1 -30.9 3.5 412 238 B F H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.962 116.2 47.7 -65.8 -51.4 -25.2 -28.7 4.0 413 239 B T H 3X S+ 0 0 35 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.839 110.3 52.9 -60.5 -33.9 -27.7 -31.6 4.0 414 240 B Q H 3X S+ 0 0 123 -4,-1.2 4,-1.4 -5,-0.4 -1,-0.3 0.801 109.3 50.2 -70.5 -28.5 -25.6 -33.6 6.5 415 241 B R H S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 6,-1.0 0.886 110.8 45.6 -60.7 -40.6 -34.3 -31.3 17.4 424 250 B K H ><5S+ 0 0 52 -4,-1.9 3,-2.4 4,-0.2 -2,-0.2 0.963 109.6 52.5 -66.2 -55.1 -35.7 -34.8 18.1 425 251 B Q H 3<5S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.829 111.2 48.3 -49.5 -37.1 -33.4 -35.6 21.0 426 252 B Q T 3<5S- 0 0 36 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.231 116.6-113.9 -95.5 14.2 -34.3 -32.3 22.7 427 253 B N T < 5S+ 0 0 144 -3,-2.4 -3,-0.2 2,-0.2 -2,-0.1 0.652 80.8 124.8 69.0 18.9 -38.1 -32.9 22.2 428 254 B Y S - 0 0 87 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.438 38.0 -96.2 -96.2 176.8 -41.6 -35.9 17.4 431 257 B E H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.825 123.5 53.2 -66.2 -30.3 -40.5 -39.0 15.4 432 258 B T H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 110.3 46.0 -72.7 -42.7 -43.2 -38.4 12.8 433 259 B Q H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.923 113.1 51.5 -60.8 -46.4 -42.0 -34.8 12.2 434 260 B Y H X S+ 0 0 37 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.920 112.1 46.3 -55.2 -47.8 -38.4 -36.1 12.1 435 261 B Q H X S+ 0 0 93 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.918 110.8 51.4 -62.3 -49.9 -39.3 -38.7 9.6 436 262 B Q H X S+ 0 0 98 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.928 113.5 46.0 -50.9 -48.2 -41.3 -36.3 7.4 437 263 B A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.906 111.2 49.3 -68.5 -44.7 -38.3 -33.9 7.4 438 264 B M H X S+ 0 0 27 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.888 112.3 50.4 -60.3 -39.3 -35.6 -36.4 6.7 439 265 B S H < S+ 0 0 79 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.865 112.4 45.6 -67.7 -37.8 -37.7 -37.8 3.8 440 266 B Q H >< S+ 0 0 57 -4,-2.0 3,-1.9 -5,-0.2 -2,-0.2 0.897 109.1 56.7 -70.6 -38.5 -38.2 -34.3 2.3 441 267 B L H 3< S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.875 111.5 41.9 -58.9 -41.0 -34.5 -33.6 2.8 442 268 B N T 3< 0 0 113 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.012 360.0 360.0 -93.4 28.0 -33.6 -36.6 0.7 443 269 B R < 0 0 227 -3,-1.9 -3,-0.1 -5,-0.0 -4,-0.1 -0.235 360.0 360.0 -52.4 360.0 -36.4 -35.6 -1.7