==== 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 3VMQ . 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) . 23561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 68.9 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 . 1 0.2 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 . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 47.0 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 0 2 0 1 5 1 5 0 0 0 0 2 2 0 0 0 0 0 0 2 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 0 233 0, 0.0 4,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 34.7 -29.4 -25.0 54.5 2 42 A I H > + 0 0 113 2,-0.2 4,-0.6 1,-0.1 5,-0.1 0.798 360.0 53.9 -87.2 -32.0 -32.4 -25.6 52.2 3 43 A L H > S+ 0 0 132 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.646 107.4 51.1 -82.2 -15.0 -31.8 -22.9 49.6 4 44 A L H > S+ 0 0 104 2,-0.2 4,-1.3 3,-0.1 -1,-0.2 0.752 104.2 55.7 -91.1 -28.4 -28.2 -23.9 48.9 5 45 A K H X S+ 0 0 100 -4,-0.6 4,-1.2 2,-0.2 -2,-0.2 0.678 114.4 40.9 -77.9 -18.0 -28.9 -27.6 48.2 6 46 A I H X S+ 0 0 67 -4,-0.6 4,-1.3 2,-0.2 -2,-0.2 0.766 112.4 52.4 -95.6 -34.6 -31.4 -26.6 45.5 7 47 A L H X S+ 0 0 109 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.805 114.3 47.8 -66.2 -29.1 -29.3 -23.8 44.1 8 48 A L H X S+ 0 0 103 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.967 106.9 51.1 -74.7 -58.3 -26.6 -26.4 43.9 9 49 A T H X S+ 0 0 80 -4,-1.2 4,-1.1 1,-0.2 -2,-0.2 0.777 117.7 43.7 -53.6 -27.2 -28.6 -29.2 42.3 10 50 A I H X S+ 0 0 102 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.888 110.7 51.8 -82.6 -44.6 -29.6 -26.7 39.7 11 51 A L H X S+ 0 0 96 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.801 114.7 45.7 -62.7 -27.9 -26.2 -25.1 39.2 12 52 A I H X S+ 0 0 75 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.858 106.5 55.7 -83.2 -38.4 -24.8 -28.6 38.6 13 53 A I H X S+ 0 0 101 -4,-1.1 4,-2.3 -5,-0.3 -2,-0.2 0.851 111.3 46.1 -64.6 -32.5 -27.5 -29.8 36.2 14 54 A I H X S+ 0 0 71 -4,-1.9 4,-3.8 2,-0.2 5,-0.2 0.922 113.6 47.3 -72.5 -44.3 -26.8 -26.8 34.0 15 55 A A H X S+ 0 0 56 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.772 114.0 49.7 -66.6 -25.4 -23.0 -27.4 34.3 16 56 A L H X S+ 0 0 102 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.888 112.8 45.7 -77.3 -43.0 -23.8 -31.1 33.5 17 57 A F H X S+ 0 0 74 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.940 113.9 48.4 -62.0 -49.1 -25.9 -30.0 30.5 18 58 A I H X S+ 0 0 79 -4,-3.8 4,-1.7 1,-0.2 -1,-0.2 0.834 110.3 53.9 -60.6 -33.7 -23.3 -27.6 29.4 19 59 A G H X S+ 0 0 27 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.910 109.0 46.5 -67.3 -43.5 -20.7 -30.4 29.8 20 60 A I H X S+ 0 0 90 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.924 107.0 58.7 -64.9 -44.3 -22.7 -32.8 27.6 21 61 A M H X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.906 102.5 54.7 -50.4 -47.3 -23.2 -30.1 25.0 22 62 A Y H X S+ 0 0 92 -4,-1.7 4,-1.0 1,-0.2 3,-0.4 0.974 108.5 47.0 -48.0 -60.2 -19.4 -29.8 24.7 23 63 A F H < S+ 0 0 137 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.813 110.2 53.2 -58.4 -32.7 -19.1 -33.5 24.0 24 64 A L H < S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.908 107.7 50.3 -65.9 -41.0 -21.9 -33.3 21.4 25 65 A S H < S+ 0 0 0 -4,-2.5 2,-0.8 -3,-0.4 3,-0.4 0.663 88.9 106.5 -69.7 -15.1 -20.0 -30.5 19.7 26 66 A T S < S+ 0 0 34 -4,-1.0 -1,-0.2 1,-0.3 3,-0.1 -0.822 81.3 33.6-106.7 91.7 -17.0 -32.8 19.8 27 67 A R + 0 0 155 -2,-0.8 -1,-0.3 -3,-0.0 2,-0.2 0.792 56.6 110.8-147.5 170.1 -17.1 -33.4 16.9 28 68 A D S S- 0 0 39 -3,-0.4 2,-0.8 -2,-0.0 70,-0.0 -0.628 73.7-134.4 59.7 66.1 -18.0 -31.7 14.5 29 69 A N > - 0 0 48 -2,-0.2 3,-2.9 1,-0.1 4,-0.2 -0.764 13.8-159.2 -97.4 104.8 -14.3 -31.7 13.5 30 70 A V G > S+ 0 0 5 -2,-0.8 3,-1.8 1,-0.3 4,-0.3 0.661 85.6 78.4 -64.1 -13.3 -13.1 -28.3 12.5 31 71 A D G > S+ 0 0 81 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.764 81.9 71.6 -59.2 -25.1 -10.2 -29.8 10.6 32 72 A E G X S+ 0 0 67 -3,-2.9 3,-2.3 1,-0.2 4,-0.3 0.723 76.1 78.4 -61.1 -25.3 -13.0 -30.4 8.0 33 73 A L G X S+ 0 0 0 -3,-1.8 3,-1.9 1,-0.3 4,-0.3 0.779 77.8 71.4 -62.0 -27.9 -13.1 -26.7 7.2 34 74 A R G X S+ 0 0 103 -3,-1.2 3,-1.1 -4,-0.3 -1,-0.3 0.697 80.2 76.3 -62.0 -19.1 -10.0 -27.1 5.0 35 75 A K G X S+ 0 0 125 -3,-2.3 3,-1.9 1,-0.2 4,-0.3 0.816 81.0 69.8 -62.0 -28.7 -12.2 -29.0 2.5 36 76 A I G X S+ 0 0 2 -3,-1.9 3,-1.6 -4,-0.3 -1,-0.2 0.829 87.1 64.5 -57.2 -33.3 -13.6 -25.6 1.5 37 77 A E G < S+ 0 0 65 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.590 90.5 67.9 -72.6 -6.8 -10.2 -24.7 -0.1 38 78 A N G < S+ 0 0 134 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.670 71.4 119.2 -81.9 -17.8 -10.7 -27.6 -2.6 39 79 A K S X S- 0 0 68 -3,-1.6 3,-2.0 -4,-0.3 -3,-0.0 -0.174 74.3-122.3 -53.0 138.2 -13.7 -25.9 -4.3 40 80 A S T 3 S+ 0 0 136 1,-0.3 -1,-0.1 0, 0.0 -3,-0.0 0.821 110.9 38.0 -49.7 -37.4 -13.0 -25.2 -8.0 41 81 A S T 3 S+ 0 0 36 92,-0.1 104,-0.3 2,-0.0 -1,-0.3 0.137 81.5 145.6-107.2 19.8 -13.6 -21.4 -7.5 42 82 A F < + 0 0 52 -3,-2.0 2,-0.4 -5,-0.1 -5,-0.1 -0.320 20.3 177.7 -57.0 131.9 -12.0 -20.9 -4.1 43 83 A V - 0 0 14 86,-0.2 101,-0.1 -2,-0.0 2,-0.1 -0.981 25.4-129.4-134.9 127.3 -10.3 -17.5 -3.6 44 84 A S > - 0 0 21 -2,-0.4 3,-1.5 1,-0.1 82,-0.1 -0.432 19.6-117.8 -76.9 152.9 -8.7 -16.7 -0.3 45 85 A A G > S+ 0 0 0 80,-0.4 3,-2.9 1,-0.3 8,-0.1 0.900 111.9 64.0 -54.8 -46.2 -9.6 -13.4 1.4 46 86 A D G 3 S+ 0 0 80 1,-0.3 -1,-0.3 79,-0.1 4,-0.1 0.719 100.2 55.2 -55.3 -20.2 -6.0 -12.2 1.2 47 87 A N G < S+ 0 0 46 -3,-1.5 111,-2.3 2,-0.1 112,-0.5 0.244 94.5 88.0 -95.9 12.5 -6.3 -12.3 -2.6 48 88 A M S < S- 0 0 5 -3,-2.9 109,-0.2 109,-0.2 108,-0.1 -0.835 87.6 -98.9-109.9 150.2 -9.4 -10.0 -2.6 49 89 A P > - 0 0 18 0, 0.0 4,-1.6 0, 0.0 3,-0.4 -0.225 36.5-116.3 -60.6 156.4 -9.5 -6.2 -2.7 50 90 A E H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.784 112.6 57.2 -68.9 -27.5 -10.0 -4.6 0.8 51 91 A Y H > S+ 0 0 45 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.835 104.8 54.4 -74.8 -26.2 -13.4 -3.1 -0.1 52 92 A V H > S+ 0 0 0 -3,-0.4 4,-1.0 2,-0.2 3,-0.5 0.958 110.5 43.4 -67.4 -52.5 -14.7 -6.5 -1.0 53 93 A K H X S+ 0 0 27 -4,-1.6 4,-2.0 1,-0.2 3,-0.3 0.877 115.6 52.3 -56.3 -36.7 -13.7 -8.0 2.4 54 94 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.693 94.4 67.0 -78.9 -21.6 -15.1 -4.9 4.0 55 95 A A H X S+ 0 0 0 -4,-1.4 4,-0.7 -3,-0.5 -1,-0.2 0.903 112.6 35.9 -60.9 -38.2 -18.4 -5.1 2.3 56 96 A F H X>S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.3 5,-0.6 0.879 115.8 52.6 -82.5 -41.9 -19.0 -8.2 4.3 57 97 A I H X5S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 7,-0.2 0.906 111.0 46.0 -62.8 -42.8 -17.2 -7.2 7.5 58 98 A S H <5S+ 0 0 2 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.816 119.6 41.0 -73.0 -29.7 -19.1 -3.9 7.9 59 99 A M H <5S+ 0 0 2 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.2 0.857 131.6 19.0 -83.8 -39.1 -22.5 -5.6 7.2 60 100 A E H <5S+ 0 0 20 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.733 137.5 4.0-106.9 -30.3 -22.1 -8.9 9.2 61 101 A D ><< + 0 0 7 -4,-1.8 3,-2.0 -5,-0.6 4,-0.2 -0.460 54.0 178.1-166.0 77.5 -19.3 -8.4 11.7 62 102 A E T 3 S+ 0 0 100 1,-0.3 3,-0.1 -4,-0.3 -4,-0.1 0.628 89.2 43.6 -70.8 -13.5 -17.7 -5.1 12.0 63 103 A R T >> S+ 0 0 64 1,-0.1 3,-2.0 -6,-0.1 4,-1.3 -0.013 76.0 136.6-113.7 26.5 -15.3 -6.2 14.9 64 104 A F T <4 S+ 0 0 1 -3,-2.0 3,-0.4 1,-0.3 5,-0.2 0.843 71.9 42.9 -38.7 -55.5 -14.5 -9.5 13.2 65 105 A Y T 34 S+ 0 0 97 1,-0.2 -1,-0.3 -4,-0.2 59,-0.1 0.620 108.6 61.6 -75.7 -12.9 -10.8 -9.4 13.9 66 106 A N T <4 S+ 0 0 113 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.857 95.1 63.8 -80.8 -38.2 -11.2 -8.2 17.5 67 107 A H S < S- 0 0 16 -4,-1.3 4,-0.1 -3,-0.4 0, 0.0 -0.148 72.1-132.6 -86.0 178.8 -13.2 -11.1 18.9 68 108 A H S S- 0 0 149 2,-0.5 51,-0.2 -2,-0.0 52,-0.1 -0.122 81.5 -57.8-121.2 33.9 -12.4 -14.8 19.5 69 109 A G S S+ 0 0 5 -5,-0.2 2,-0.5 50,-0.1 22,-0.3 -0.019 122.3 75.1 119.0 -26.7 -15.6 -16.2 18.0 70 110 A F - 0 0 100 17,-0.1 2,-0.8 20,-0.1 -2,-0.5 -0.972 58.0-160.5-124.4 124.0 -18.2 -14.4 20.2 71 111 A D > - 0 0 17 -2,-0.5 4,-1.7 15,-0.3 5,-0.2 -0.859 6.6-172.5-103.8 100.9 -19.2 -10.8 20.0 72 112 A L H > S+ 0 0 105 -2,-0.8 4,-1.4 2,-0.2 3,-0.5 0.955 83.9 45.3 -56.3 -57.1 -20.8 -9.8 23.3 73 113 A K H >> S+ 0 0 92 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.928 116.6 45.1 -53.7 -51.2 -22.0 -6.3 22.2 74 114 A G H 3> S+ 0 0 18 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.741 113.7 51.6 -65.8 -23.4 -23.3 -7.6 18.9 75 115 A T H 3< S+ 0 0 24 -4,-1.7 4,-0.4 -3,-0.5 -1,-0.2 0.608 108.5 50.2 -91.4 -14.2 -25.0 -10.5 20.7 76 116 A T H X< S+ 0 0 61 -4,-1.4 3,-0.7 -3,-0.7 -2,-0.2 0.886 111.4 46.4 -84.4 -48.1 -26.7 -8.3 23.3 77 117 A R H 3X S+ 0 0 157 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.840 113.9 53.8 -55.2 -32.5 -28.2 -6.0 20.7 78 118 A A T 3< S+ 0 0 34 -4,-0.6 2,-3.4 -5,-0.3 -1,-0.2 0.725 79.7 94.6 -76.2 -24.9 -29.1 -9.3 19.0 79 119 A L T <4 S- 0 0 106 -3,-0.7 -1,-0.2 -4,-0.4 -4,-0.1 -0.318 123.1 -77.3 -69.6 65.1 -30.8 -10.7 22.1 80 120 A F T 4 S+ 0 0 199 -2,-3.4 2,-0.2 1,-0.2 -1,-0.2 0.872 86.4 152.1 38.9 52.3 -34.2 -9.4 20.8 81 121 A S < 0 0 61 -4,-1.2 -1,-0.2 1,-0.4 -2,-0.1 -0.350 360.0 360.0-108.3 50.3 -33.2 -5.9 21.9 82 122 A T 0 0 189 -2,-0.2 -1,-0.4 -4,-0.1 -2,-0.0 0.008 360.0 360.0 52.0 360.0 -35.2 -3.8 19.4 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 84 129 A Q 0 0 128 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 31.3 -27.5 -7.1 11.7 85 130 A G - 0 0 57 1,-0.1 -10,-0.1 -8,-0.1 -24,-0.0 -0.802 360.0 -50.9-142.5-176.3 -27.1 -9.8 14.3 86 131 A G S S+ 0 0 31 -12,-0.2 2,-0.5 -2,-0.2 -15,-0.3 -0.965 81.0 74.8-119.0 15.3 -26.4 -11.7 16.1 87 132 A S - 0 0 13 -17,-0.1 -17,-0.1 -9,-0.1 5,-0.0 -0.718 63.7-132.6 -95.7 128.2 -23.9 -14.3 14.8 88 133 A T > - 0 0 2 -2,-0.5 4,-2.1 -19,-0.3 5,-0.2 -0.154 33.7-103.1 -60.9 162.5 -20.3 -13.5 14.3 89 134 A I H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.868 124.4 55.4 -61.5 -32.5 -18.7 -14.5 11.0 90 135 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 106.2 49.5 -63.7 -46.5 -17.1 -17.4 12.8 91 136 A Q H > S+ 0 0 3 -22,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.916 109.7 51.7 -59.8 -42.0 -20.5 -18.6 14.0 92 137 A Q H X S+ 0 0 3 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.860 106.8 53.9 -64.4 -36.3 -21.9 -18.4 10.5 93 138 A V H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.903 112.1 44.0 -62.9 -42.8 -18.9 -20.4 9.1 94 139 A V H X>S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.9 0.916 115.3 49.0 -66.4 -45.2 -19.7 -23.2 11.6 95 140 A K H <5S+ 0 0 40 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.954 113.7 45.1 -59.8 -51.0 -23.4 -23.0 10.9 96 141 A N H <5S+ 0 0 41 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.876 118.5 40.5 -65.4 -39.5 -23.0 -23.1 7.2 97 142 A Y H <5S+ 0 0 61 -4,-1.9 3,-0.2 -5,-0.2 -1,-0.2 0.922 133.5 12.9 -78.0 -44.8 -20.5 -25.9 7.0 98 143 A F T <5S+ 0 0 40 -4,-2.2 2,-2.6 -5,-0.2 3,-0.2 0.910 125.7 46.8 -95.9 -70.6 -21.9 -28.3 9.7 99 144 A Y < + 0 0 18 -5,-0.9 -1,-0.2 1,-0.2 -2,-0.1 -0.225 64.0 145.5 -75.0 52.5 -25.4 -27.3 10.8 100 145 A D S S+ 0 0 128 -2,-2.6 -1,-0.2 -3,-0.2 -4,-0.1 0.587 74.6 35.0 -63.3 -8.4 -26.5 -26.9 7.1 101 146 A N S S+ 0 0 131 -3,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.842 106.1 38.4-112.3 -72.0 -29.9 -28.3 8.4 102 147 A D - 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0 0 84 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.470 38.2-102.5 -82.9 163.9 -6.2 -17.4 11.8 124 169 A K H 3> S+ 0 0 32 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.837 120.2 54.6 -60.1 -36.4 -8.7 -14.7 11.0 125 170 A N H 3> S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -80,-0.4 0.907 108.6 48.1 -64.3 -41.3 -7.9 -14.6 7.3 126 171 A E H <> S+ 0 0 41 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.917 111.4 51.2 -63.9 -42.8 -8.5 -18.4 7.0 127 172 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.908 109.0 50.1 -62.4 -41.1 -11.8 -18.0 8.8 128 173 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.850 109.4 52.9 -64.7 -35.1 -12.9 -15.1 6.5 129 174 A S H X S+ 0 0 3 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.851 106.7 51.6 -68.0 -36.7 -11.9 -17.4 3.5 130 175 A F H < S+ 0 0 1 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.937 112.6 47.9 -62.9 -43.4 -14.1 -20.1 4.9 131 176 A Y H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.970 111.9 45.0 -61.1 -59.4 -17.0 -17.6 5.1 132 177 A L H 3< S+ 0 0 0 -4,-2.4 12,-2.3 1,-0.3 3,-0.3 0.634 116.5 48.7 -62.0 -17.5 -16.8 -16.0 1.7 133 178 A N T 3< S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.217 114.2 43.5-110.8 9.1 -16.4 -19.5 0.0 134 179 A N S < S+ 0 0 23 -3,-1.8 2,-0.3 -4,-0.1 9,-0.2 -0.240 85.1 100.0-151.3 55.0 -19.3 -21.2 1.8 135 180 A I S S- 0 0 3 7,-1.4 2,-0.5 -3,-0.3 43,-0.0 -0.938 70.8-109.3-133.8 158.8 -22.3 -18.9 1.8 136 181 A Y + 0 0 108 -2,-0.3 6,-0.2 42,-0.2 3,-0.1 -0.790 32.3 171.4 -96.1 126.1 -25.4 -18.9 -0.4 137 182 A F - 0 0 0 4,-2.8 49,-0.2 -2,-0.5 5,-0.1 0.197 54.1-102.3-115.6 11.8 -25.7 -16.0 -2.8 138 183 A G S > S+ 0 0 4 3,-0.5 3,-1.8 40,-0.1 -1,-0.4 -0.020 97.6 68.4 87.9 164.9 -28.6 -17.4 -4.7 139 184 A D T 3 S- 0 0 66 1,-0.3 3,-0.1 -3,-0.1 -1,-0.0 0.814 129.5 -63.0 56.1 34.0 -28.8 -19.1 -8.1 140 185 A N T 3 S+ 0 0 122 1,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.696 98.6 142.3 65.9 20.7 -27.0 -22.1 -6.7 141 186 A Q < + 0 0 43 -3,-1.8 -4,-2.8 1,-0.1 -3,-0.5 -0.841 19.5 165.9 -94.2 124.5 -23.9 -20.0 -6.0 142 187 A Y + 0 0 101 -2,-0.6 -7,-1.4 -6,-0.2 2,-0.4 0.341 59.7 66.7-115.9 3.5 -22.0 -20.9 -2.7 143 188 A T S > S- 0 0 10 -9,-0.2 4,-3.3 1,-0.1 -10,-0.2 -0.974 77.1-130.4-125.7 143.1 -18.7 -19.1 -3.4 144 189 A L H > S+ 0 0 0 -12,-2.3 4,-3.2 -2,-0.4 5,-0.1 0.870 111.4 46.4 -54.1 -40.5 -18.1 -15.3 -3.7 145 190 A E H > S+ 0 0 18 -104,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.885 112.0 49.0 -73.5 -43.0 -16.2 -15.8 -7.0 146 191 A G H > S+ 0 0 9 2,-0.2 4,-3.4 1,-0.2 -2,-0.2 0.971 116.2 45.1 -55.1 -54.7 -18.8 -18.1 -8.5 147 192 A A H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 5,-0.5 0.933 113.6 48.6 -52.6 -52.3 -21.4 -15.5 -7.4 148 193 A A H X>S+ 0 0 0 -4,-3.2 4,-1.7 -5,-0.2 5,-1.4 0.929 115.8 44.5 -58.7 -47.2 -19.4 -12.6 -8.8 149 194 A N H X5S+ 0 0 58 -4,-3.0 4,-0.8 4,-0.3 -2,-0.2 0.953 115.6 47.6 -57.3 -52.3 -18.8 -14.4 -12.0 150 195 A H H <5S+ 0 0 87 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.914 121.4 30.0 -61.9 -50.9 -22.4 -15.6 -12.4 151 196 A Y H <5S+ 0 0 34 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.865 140.9 10.3 -78.1 -38.5 -24.3 -12.3 -11.7 152 197 A F H <5S- 0 0 61 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.2 0.649 85.8-125.8-119.6 -22.5 -21.8 -9.7 -12.9 153 198 A G S < - 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0 0 7 -4,-2.2 3,-2.1 -5,-0.4 -2,-0.1 -0.471 57.0-173.8-165.2 73.1 -27.2 23.1 -22.3 287 102 B E T 3 S+ 0 0 99 1,-0.3 3,-0.3 -4,-0.3 -1,-0.1 0.785 86.1 47.4 -45.6 -44.1 -29.0 26.1 -23.8 288 103 B R T >> S+ 0 0 67 1,-0.2 4,-2.5 2,-0.1 3,-1.8 0.171 72.2 132.1 -91.2 19.4 -29.3 24.7 -27.4 289 104 B F T <4 S+ 0 0 0 -3,-2.1 -1,-0.2 1,-0.3 5,-0.2 0.825 75.1 40.6 -37.1 -56.6 -30.5 21.3 -26.3 290 105 B Y T 34 S+ 0 0 81 -3,-0.3 -1,-0.3 1,-0.2 53,-0.1 0.701 118.3 49.2 -71.5 -19.1 -33.4 21.1 -28.8 291 106 B N T <4 S+ 0 0 123 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.2 0.798 103.4 63.0 -91.4 -33.7 -31.3 22.5 -31.6 292 107 B H S < S- 0 0 5 -4,-2.5 0, 0.0 -3,-0.1 0, 0.0 -0.168 72.1-134.3 -86.9-176.6 -28.2 20.4 -31.4 293 108 B H S S- 0 0 126 -2,-0.0 45,-0.2 50,-0.0 46,-0.1 -0.079 71.7 -68.0-131.1 31.3 -27.7 16.7 -31.9 294 109 B G S S+ 0 0 6 -5,-0.2 13,-0.3 44,-0.1 16,-0.2 0.064 122.5 78.9 105.7 -21.3 -25.5 15.8 -28.9 295 110 B F + 0 0 93 11,-0.1 12,-0.3 39,-0.1 15,-0.1 0.980 47.9 175.3 -83.3 -75.7 -22.5 17.8 -30.1 296 111 B D > + 0 0 16 3,-0.1 4,-1.3 -8,-0.1 5,-0.2 0.979 8.2 173.5 56.2 60.3 -22.7 21.5 -29.6 297 112 B L H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 72.9 65.0 -61.6 -37.7 -19.1 22.2 -30.9 298 113 B K H > S+ 0 0 103 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.936 99.2 50.9 -47.2 -57.7 -19.9 25.9 -30.6 299 114 B G H >> S+ 0 0 24 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.938 113.4 42.5 -47.5 -60.6 -20.2 25.7 -26.8 300 115 B T H >< S+ 0 0 91 -4,-1.3 3,-1.0 1,-0.3 4,-0.3 0.875 110.2 56.5 -58.5 -42.1 -16.9 23.9 -26.2 301 116 B T H >< S+ 0 0 64 -4,-2.6 3,-0.7 1,-0.3 -1,-0.3 0.745 102.6 57.3 -64.3 -23.3 -15.0 26.0 -28.7 302 117 B R H << S+ 0 0 174 -4,-1.4 -1,-0.3 -3,-1.0 -2,-0.2 0.741 93.8 66.3 -78.1 -24.1 -16.0 29.1 -26.8 303 118 B A T << 0 0 81 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.567 360.0 360.0 -72.6 -8.4 -14.5 27.8 -23.6 304 119 B L < 0 0 198 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 -0.060 360.0 360.0 54.4 360.0 -11.1 28.1 -25.3 305 ! 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 0.0 306 132 B S 0 0 86 0, 0.0 -11,-0.1 0, 0.0 -10,-0.1 0.000 360.0 360.0 360.0 105.4 -21.1 18.9 -21.7 307 133 B T > - 0 0 4 -13,-0.3 4,-1.6 -12,-0.3 3,-0.3 -0.139 360.0-107.6 -62.9 161.5 -24.5 18.7 -23.3 308 134 B I H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.894 120.9 57.5 -54.4 -42.7 -27.5 17.1 -21.5 309 135 B T H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.875 107.5 46.6 -58.3 -40.5 -27.2 14.1 -23.9 310 136 B Q H > S+ 0 0 24 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.791 108.7 56.5 -72.3 -27.4 -23.6 13.5 -22.9 311 137 B Q H X S+ 0 0 8 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.869 103.3 53.4 -74.3 -34.6 -24.6 13.8 -19.2 312 138 B V H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.954 114.0 42.9 -59.6 -50.4 -27.2 11.0 -19.6 313 139 B V H X>S+ 0 0 2 -4,-1.5 4,-2.0 1,-0.2 5,-1.4 0.950 113.1 51.1 -60.3 -53.7 -24.5 8.8 -21.0 314 140 B K H <5S+ 0 0 60 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.904 116.9 42.0 -50.4 -46.8 -21.8 9.8 -18.5 315 141 B N H <5S+ 0 0 51 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.990 120.7 36.2 -65.4 -63.6 -24.3 9.1 -15.7 316 142 B Y H <5S+ 0 0 11 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.937 132.8 17.1 -59.3 -55.8 -25.9 5.8 -16.8 317 143 B F T <5S+ 0 0 26 -4,-2.0 3,-0.2 -5,-0.3 -3,-0.2 0.944 115.9 30.5 -88.4 -53.9 -23.0 4.0 -18.4 318 144 B Y < + 0 0 45 -5,-1.4 4,-0.1 1,-0.1 -4,-0.0 0.040 55.2 93.3-110.0-154.3 -19.7 5.5 -17.5 319 145 B D S S+ 0 0 87 2,-0.6 3,-0.2 -2,-0.0 -1,-0.1 0.163 71.2 111.7 79.7 -10.4 -17.4 7.3 -15.0 320 146 B N S S- 0 0 89 1,-0.3 2,-0.3 -3,-0.2 -2,-0.1 0.951 96.6 -0.8 -50.3 -53.3 -16.6 3.7 -14.2 321 147 B D S S- 0 0 63 2,-0.1 -2,-0.6 5,-0.0 2,-0.5 -0.992 78.4-155.1-136.4 140.4 -13.2 4.4 -15.7 322 148 B R + 0 0 207 -2,-0.3 2,-0.3 -3,-0.2 3,-0.0 -0.910 31.6 130.5-128.1 109.3 -12.2 7.8 -17.1 323 149 B S > - 0 0 53 -2,-0.5 4,-2.2 1,-0.0 5,-0.1 -0.866 67.7 -99.3-136.0 173.3 -9.5 8.4 -19.7 324 150 B F H > S+ 0 0 162 -2,-0.3 4,-1.3 2,-0.2 -1,-0.0 0.881 123.1 60.2 -62.9 -37.5 -9.4 10.3 -23.0 325 151 B T H >> S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 3,-1.1 0.960 108.5 43.1 -49.2 -55.2 -9.9 7.1 -24.8 326 152 B R H 3> S+ 0 0 73 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.869 104.7 64.2 -60.5 -38.7 -13.2 6.6 -23.0 327 153 B K H 3X S+ 0 0 79 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.802 103.3 51.7 -54.0 -28.4 -14.0 10.3 -23.6 328 154 B V H XX S+ 0 0 17 -4,-1.3 4,-1.3 -3,-1.1 3,-0.9 0.941 104.3 50.0 -78.4 -51.6 -14.1 9.4 -27.2 329 155 B K H 3X S+ 0 0 10 -4,-1.4 4,-2.7 1,-0.3 3,-0.4 0.911 102.4 66.2 -51.0 -43.1 -16.5 6.4 -27.2 330 156 B E H 3X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.3 -1,-0.3 0.882 98.1 52.3 -45.3 -45.5 -18.8 8.7 -25.2 331 157 B L H > - 0 0 84 -2,-0.4 4,-2.4 1,-0.1 3,-1.0 -0.526 37.8-101.1 -84.3 160.0 -36.3 12.3 -29.2 343 169 B K H 3> S+ 0 0 30 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.778 121.5 53.2 -52.2 -33.4 -35.2 15.3 -27.2 344 170 B N H 3> S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -74,-0.5 0.835 109.3 47.5 -74.8 -33.0 -38.0 14.8 -24.7 345 171 B E H <> S+ 0 0 44 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.907 112.0 50.8 -69.5 -42.6 -37.1 11.2 -24.0 346 172 B I H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.876 111.1 49.1 -61.5 -36.9 -33.4 12.2 -23.6 347 173 B L H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.3 5,-0.3 0.863 108.0 52.4 -73.3 -36.7 -34.5 14.9 -21.2 348 174 B S H X S+ 0 0 3 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.878 107.5 52.8 -65.6 -38.1 -36.6 12.5 -19.1 349 175 B F H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.844 113.3 47.2 -60.6 -34.4 -33.6 10.2 -18.9 350 176 B Y H >< S+ 0 0 0 -4,-1.1 3,-1.8 -5,-0.2 -2,-0.2 0.987 113.9 40.9 -72.4 -62.4 -31.7 13.2 -17.6 351 177 B L H 3< S+ 0 0 0 -4,-2.9 12,-2.3 1,-0.3 3,-0.3 0.727 117.7 50.3 -62.3 -23.1 -34.1 14.6 -15.0 352 178 B N T 3< S+ 0 0 0 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.068 114.7 42.3-105.0 23.0 -35.0 11.1 -13.7 353 179 B N S < S+ 0 0 3 -3,-1.8 2,-0.3 7,-0.1 -1,-0.2 -0.279 85.7 93.2-165.8 69.9 -31.3 9.9 -13.3 354 180 B I S S- 0 0 8 7,-1.0 2,-0.6 -3,-0.3 43,-0.0 -0.959 74.1 -97.8-156.3 158.4 -29.0 12.5 -11.8 355 181 B Y + 0 0 84 -2,-0.3 6,-0.2 42,-0.2 3,-0.1 -0.713 34.9 169.4 -94.7 117.0 -27.9 13.2 -8.2 356 182 B F - 0 0 0 4,-2.9 -1,-0.1 -2,-0.6 5,-0.1 0.292 54.2-105.9-101.4 7.4 -29.7 15.9 -6.3 357 183 B G S > S+ 0 0 3 3,-0.4 3,-1.1 40,-0.1 -1,-0.4 -0.208 95.7 69.1 86.4 173.6 -28.2 15.1 -3.0 358 184 B D T 3 S- 0 0 68 1,-0.2 3,-0.1 -3,-0.1 11,-0.0 0.855 129.1 -60.8 41.5 49.9 -29.9 13.4 0.0 359 185 B N T 3 S+ 0 0 74 1,-0.2 2,-0.5 2,-0.0 -1,-0.2 0.852 100.6 139.2 52.8 42.2 -30.1 10.0 -1.8 360 186 B Q < + 0 0 46 -3,-1.1 -4,-2.9 1,-0.1 -3,-0.4 -0.969 22.2 162.9-124.8 124.5 -32.2 11.5 -4.6 361 187 B Y + 0 0 10 -2,-0.5 -7,-1.0 -6,-0.2 2,-0.4 0.196 61.9 65.8-128.1 12.0 -31.7 10.5 -8.2 362 188 B T S > S- 0 0 6 -9,-0.2 4,-1.8 1,-0.1 -10,-0.3 -0.990 75.8-133.0-131.3 141.4 -35.0 11.7 -9.7 363 189 B L H >> S+ 0 0 0 -12,-2.3 4,-2.7 -2,-0.4 3,-0.6 0.962 108.9 53.0 -53.5 -54.1 -36.2 15.2 -10.0 364 190 B E H 3> S+ 0 0 13 -98,-0.3 4,-2.5 1,-0.3 -1,-0.2 0.860 109.7 48.0 -51.4 -42.2 -39.7 14.2 -8.6 365 191 B G H 3> S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.797 111.4 51.4 -70.6 -29.5 -38.1 12.5 -5.6 366 192 B A H S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-2.2 0.976 113.9 47.9 -61.9 -56.7 -39.0 18.0 -5.1 368 194 B N H <5S+ 0 0 58 -4,-2.5 -1,-0.2 4,-0.3 -2,-0.2 0.881 116.8 45.8 -46.6 -45.1 -41.0 15.7 -2.8 369 195 B H H <5S+ 0 0 86 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.975 121.9 28.1 -70.4 -58.9 -38.0 15.5 -0.5 370 196 B Y H <5S+ 0 0 32 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.795 141.7 9.2 -75.6 -32.1 -36.7 19.1 -0.1 371 197 B F T <5S- 0 0 59 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.651 87.5-119.8-125.3 -26.9 -40.0 21.0 -0.7 372 198 B G S - 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0 0 37 1,-0.1 4,-2.3 -109,-0.0 5,-0.2 -0.380 16.9-112.0 -89.9 168.3 -42.2 26.6 -7.8 387 213 B V H > S+ 0 0 4 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.931 120.6 47.8 -64.5 -45.1 -40.0 28.6 -10.2 388 214 B L H >> S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 3,-0.9 0.966 109.2 53.8 -57.1 -55.4 -37.5 29.2 -7.5 389 215 B Q H 3> S+ 0 0 30 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.916 107.8 48.4 -46.0 -55.5 -37.5 25.6 -6.4 390 216 B S H 3X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.762 108.6 55.7 -62.8 -25.0 -36.7 24.3 -9.9 391 217 B A H < S+ 0 0 22 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.889 90.7 72.5 -56.2 -45.8 -27.6 21.9 -7.5 397 223 B V H 3< S+ 0 0 19 -4,-1.2 -1,-0.2 1,-0.3 -42,-0.2 0.812 113.9 17.0 -45.7 -56.0 -27.0 19.2 -10.1 398 224 B N T 3< S+ 0 0 79 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.1 -0.052 103.2 112.9-110.9 30.0 -23.6 20.3 -11.5 399 225 B A S < S- 0 0 13 -3,-2.0 13,-0.0 1,-0.2 -3,-0.0 -0.666 84.1 -74.6 -97.8 156.3 -22.7 22.5 -8.6 400 226 B P > - 0 0 66 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.179 44.9-118.5 -45.4 140.8 -19.8 21.8 -6.2 401 227 B S T 3 S+ 0 0 125 1,-0.3 -2,-0.0 -3,-0.1 -5,-0.0 0.636 110.4 72.9 -62.8 -12.7 -20.9 19.1 -3.8 402 228 B V T 3 S+ 0 0 122 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.772 71.8 99.2 -72.5 -28.4 -20.5 21.7 -1.0 403 229 B Y < - 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