==== 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 3VMR . 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. . 227 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.1 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 2 0 1 2 0 1 0 1 0 0 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 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 0 181 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -29.3 -16.9 -2.3 -11.8 2 42 A I T >> + 0 0 104 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.816 360.0 59.4 -58.4 -28.1 -14.9 -5.4 -12.8 3 43 A L H 3> S+ 0 0 111 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.851 96.1 58.4 -70.2 -34.8 -12.0 -2.9 -13.0 4 44 A L H <4 S+ 0 0 103 -3,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.559 105.9 51.8 -73.9 -6.0 -12.3 -1.9 -9.4 5 45 A K H <> S+ 0 0 93 -3,-0.8 4,-1.9 -4,-0.4 -1,-0.2 0.740 99.1 59.8 -97.5 -29.1 -11.8 -5.6 -8.4 6 46 A I H X S+ 0 0 88 -4,-1.1 4,-2.2 1,-0.3 5,-0.2 0.796 99.4 61.2 -66.3 -26.8 -8.6 -6.1 -10.5 7 47 A L H X S+ 0 0 87 -4,-1.0 4,-3.0 2,-0.2 -1,-0.3 0.895 103.3 51.2 -62.6 -40.1 -7.3 -3.4 -8.2 8 48 A L H > S+ 0 0 83 -4,-0.3 4,-4.0 2,-0.2 5,-0.5 0.997 106.6 50.2 -58.0 -68.8 -8.0 -5.8 -5.4 9 49 A T H X S+ 0 0 67 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.830 115.1 45.5 -40.6 -48.0 -6.2 -8.8 -6.9 10 50 A I H X S+ 0 0 79 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.988 116.9 43.1 -60.5 -57.9 -3.1 -6.6 -7.5 11 51 A L H X S+ 0 0 66 -4,-3.0 4,-4.3 1,-0.3 -2,-0.2 0.921 115.4 49.1 -58.1 -43.2 -3.2 -5.0 -4.1 12 52 A I H X S+ 0 0 61 -4,-4.0 4,-2.8 2,-0.2 -1,-0.3 0.912 113.0 48.7 -60.5 -39.3 -3.9 -8.3 -2.4 13 53 A I H X S+ 0 0 89 -4,-2.8 4,-1.7 -5,-0.5 -2,-0.2 0.864 113.5 44.5 -69.5 -34.0 -1.0 -9.7 -4.4 14 54 A I H X S+ 0 0 73 -4,-3.4 4,-1.6 2,-0.2 -2,-0.2 0.929 111.7 58.1 -65.9 -41.0 1.2 -6.8 -3.4 15 55 A A H X S+ 0 0 44 -4,-4.3 4,-0.6 -5,-0.3 3,-0.3 0.899 110.8 38.2 -54.3 -47.4 -0.3 -7.5 -0.0 16 56 A L H X S+ 0 0 85 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.771 104.5 69.0 -78.6 -22.8 0.9 -11.1 0.0 17 57 A F H X S+ 0 0 65 -4,-1.7 4,-1.0 1,-0.3 -1,-0.2 0.876 104.9 44.1 -56.5 -36.4 4.2 -10.1 -1.6 18 58 A I H X S+ 0 0 63 -4,-1.6 4,-1.0 -3,-0.3 -1,-0.3 0.698 105.8 64.1 -80.7 -21.5 4.9 -8.4 1.7 19 59 A G H >X S+ 0 0 30 -4,-0.6 4,-1.6 -5,-0.2 3,-1.3 0.977 101.9 46.4 -62.6 -57.2 3.6 -11.4 3.5 20 60 A I H 3X S+ 0 0 88 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.865 102.9 66.0 -51.7 -39.4 6.4 -13.7 2.2 21 61 A M H 3X S+ 0 0 8 -4,-1.0 4,-1.6 -5,-0.3 -1,-0.3 0.861 101.1 49.1 -53.4 -38.1 8.8 -10.9 3.1 22 62 A Y H < S+ 0 0 75 -4,-1.8 3,-1.2 1,-0.2 4,-0.4 0.888 92.4 74.6 -73.4 -42.3 12.1 -14.4 5.3 25 65 A S H >< S+ 0 0 4 -4,-1.6 3,-1.4 -3,-0.3 -1,-0.2 0.802 84.2 74.7 -41.6 -37.1 12.8 -12.1 8.3 26 66 A T T 3< S+ 0 0 82 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.872 76.0 70.3 -41.8 -59.9 13.0 -15.2 10.4 27 67 A R T < S+ 0 0 214 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.2 0.660 92.1 66.3 -45.3 -29.0 16.4 -16.6 9.3 28 68 A D S < S- 0 0 57 -3,-1.4 2,-0.1 -4,-0.4 74,-0.0 -0.751 79.2-139.6 -96.5 145.5 18.2 -13.8 11.1 29 69 A N - 0 0 78 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.259 14.1-132.8 -96.4-178.3 18.2 -13.5 14.9 30 70 A V S S+ 0 0 18 1,-0.1 3,-0.5 -2,-0.1 4,-0.1 0.367 85.1 87.9-110.7 2.6 17.9 -10.6 17.4 31 71 A D >> + 0 0 90 1,-0.2 3,-1.8 2,-0.1 4,-0.9 0.614 58.8 81.7 -89.5 -18.2 20.8 -11.8 19.6 32 72 A E H >>>S+ 0 0 40 1,-0.3 4,-3.5 2,-0.2 3,-1.2 0.887 75.9 76.7 -52.3 -41.5 23.9 -10.2 18.1 33 73 A L H 345S+ 0 0 7 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.682 98.0 45.8 -53.6 -20.4 23.3 -7.0 19.8 34 74 A R H <45S+ 0 0 109 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.805 116.1 45.5 -84.6 -37.8 24.5 -8.6 23.0 35 75 A K H X<5S+ 0 0 153 -3,-1.2 3,-2.1 -4,-0.9 -2,-0.2 0.923 114.7 45.7 -67.0 -47.7 27.5 -10.1 21.1 36 76 A I T 3<5S+ 0 0 31 -4,-3.5 -1,-0.2 1,-0.3 -3,-0.2 0.503 99.4 73.6 -71.8 -4.2 28.2 -6.8 19.4 37 77 A E T 3 - 0 0 42 -2,-0.3 3,-0.9 3,-0.2 86,-0.1 -0.959 20.8-127.1-130.1 154.6 27.2 1.9 26.8 45 85 A A G > S+ 0 0 2 -2,-0.3 3,-1.5 1,-0.2 8,-0.1 0.924 104.7 59.4 -65.7 -50.0 25.0 4.9 26.3 46 86 A D G 3 S+ 0 0 85 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.580 105.5 55.1 -61.0 -7.8 24.0 5.6 29.9 47 87 A N G < S+ 0 0 52 -3,-0.9 115,-0.5 2,-0.1 116,-0.3 -0.258 95.0 84.8-117.4 43.9 27.7 6.0 30.6 48 88 A M S < S- 0 0 14 -3,-1.5 113,-0.2 113,-0.2 5,-0.1 -0.996 90.5 -92.2-142.1 140.2 28.3 8.7 28.0 49 89 A P >> - 0 0 20 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.232 36.6-127.6 -49.4 135.0 27.8 12.5 28.1 50 90 A E H 3> S+ 0 0 97 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.838 107.1 60.7 -58.4 -36.0 24.3 13.3 26.9 51 91 A Y H 3> S+ 0 0 52 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.735 102.5 52.8 -69.4 -20.5 25.6 15.8 24.3 52 92 A V H <4 S+ 0 0 1 -3,-1.3 4,-0.4 2,-0.2 3,-0.3 0.921 110.3 48.7 -70.2 -47.6 27.5 13.0 22.7 53 93 A K H >X S+ 0 0 27 -4,-1.5 4,-2.2 1,-0.3 3,-1.8 0.962 114.4 43.2 -54.2 -57.7 24.3 11.1 22.6 54 94 A G H 3X>S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.3 5,-0.5 0.674 94.2 82.5 -65.0 -17.6 22.4 14.0 21.1 55 95 A A H 3<5S+ 0 0 0 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.719 113.2 17.9 -59.2 -19.5 25.3 14.6 18.7 56 96 A F H <>>S+ 0 0 3 -3,-1.8 4,-3.6 -4,-0.4 5,-0.6 0.663 120.5 62.6-119.0 -40.7 23.7 11.9 16.6 57 97 A I H X5S+ 0 0 1 -4,-2.2 4,-4.1 1,-0.2 -3,-0.2 0.976 106.0 45.8 -49.1 -66.3 20.2 11.7 17.9 58 98 A S H <5S+ 0 0 4 -4,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.850 119.8 45.1 -46.0 -39.9 19.4 15.3 16.9 59 99 A M H 4<< - 0 0 6 -4,-4.1 3,-0.9 -5,-0.6 -1,-0.3 -0.563 57.0-165.3-161.5 96.7 16.5 11.4 14.7 62 102 A E T 3 S+ 0 0 101 -4,-0.3 2,-0.3 1,-0.3 -4,-0.1 0.848 99.7 21.7 -44.6 -44.3 15.4 14.7 16.2 63 103 A R T 3> S+ 0 0 78 1,-0.1 4,-0.8 -6,-0.1 -1,-0.3 -0.704 76.9 155.8-129.0 78.0 13.0 12.7 18.5 64 104 A F T <4 S+ 0 0 2 -3,-0.9 5,-0.4 -2,-0.3 3,-0.2 0.824 72.2 49.9 -78.3 -34.9 14.4 9.2 18.6 65 105 A Y T 4 S+ 0 0 92 1,-0.2 -1,-0.2 -4,-0.2 63,-0.1 0.607 104.3 63.9 -78.5 -10.2 12.9 8.0 21.9 66 106 A N T 4 S+ 0 0 121 -3,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.825 92.7 66.7 -83.8 -36.0 9.4 9.2 20.8 67 107 A H S < S- 0 0 19 -4,-0.8 2,-1.0 -3,-0.2 4,-0.1 -0.533 84.5-125.0 -84.7 155.5 9.0 6.9 17.9 68 108 A H S S- 0 0 164 2,-0.5 55,-0.1 -2,-0.2 -3,-0.1 -0.502 77.7 -61.0 -98.8 63.4 8.6 3.1 18.3 69 109 A G S S+ 0 0 3 -2,-1.0 2,-0.3 -5,-0.4 26,-0.2 0.663 123.0 78.1 69.8 17.5 11.5 2.3 16.0 70 110 A F - 0 0 85 -6,-0.1 2,-0.8 24,-0.1 -2,-0.5 -0.881 55.6-162.5-160.4 127.9 9.8 3.9 13.0 71 111 A D > + 0 0 14 -2,-0.3 4,-4.1 1,-0.2 5,-0.4 -0.647 22.9 173.0-103.4 72.3 9.4 7.5 11.7 72 112 A L H > S+ 0 0 102 -2,-0.8 4,-1.3 1,-0.2 -1,-0.2 0.819 75.9 37.1 -54.5 -39.2 6.5 6.7 9.3 73 113 A K H > S+ 0 0 107 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.865 124.0 39.7 -84.0 -38.8 5.8 10.4 8.4 74 114 A G H > S+ 0 0 9 2,-0.2 4,-1.7 3,-0.2 -2,-0.2 0.852 116.8 52.0 -75.1 -36.5 9.3 11.7 8.4 75 115 A T H X S+ 0 0 12 -4,-4.1 4,-2.7 2,-0.2 5,-0.2 0.881 111.4 46.1 -67.6 -40.3 10.5 8.5 6.7 76 116 A T H X S+ 0 0 77 -4,-1.3 4,-2.0 -5,-0.4 5,-0.2 0.972 114.1 47.8 -62.4 -53.6 7.9 8.8 4.0 77 117 A R H X S+ 0 0 114 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.826 110.5 57.4 -51.7 -32.4 8.9 12.5 3.7 78 118 A A H >X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 3,-1.6 0.984 110.1 37.5 -64.6 -61.0 12.4 11.1 3.6 79 119 A L H 3X S+ 0 0 81 -4,-2.7 4,-0.9 1,-0.3 -1,-0.2 0.690 114.6 60.3 -65.3 -16.8 12.0 8.8 0.7 80 120 A F H 3< S+ 0 0 136 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.633 113.0 36.1 -80.3 -17.3 9.8 11.6 -0.8 81 121 A S H S+ 0 0 4 -3,-1.6 4,-1.6 -4,-0.6 5,-1.0 0.530 103.0 71.1-113.7 -14.6 12.7 14.0 -0.6 82 122 A T H X5S+ 0 0 50 -4,-1.8 4,-1.1 3,-0.2 3,-0.4 0.962 108.6 37.3 -62.8 -52.2 15.5 11.5 -1.5 83 123 A I H <5S+ 0 0 98 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.731 123.8 44.9 -68.7 -22.8 14.1 11.4 -5.0 84 124 A S H 45S+ 0 0 67 -5,-0.1 -2,-0.2 3,-0.0 -1,-0.2 0.512 134.4 12.2-103.0 -3.9 13.4 15.2 -4.8 85 125 A D H <5S- 0 0 73 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.2 0.552 79.1-139.6-129.9 -46.9 16.7 16.2 -3.2 86 126 A R << 0 0 182 -4,-1.1 -4,-0.2 -5,-1.0 -3,-0.1 0.736 360.0 360.0 77.1 29.0 19.1 13.3 -3.5 87 127 A D 0 0 156 -6,-0.6 -1,-0.1 -5,-0.0 -5,-0.1 -0.477 360.0 360.0-110.6 360.0 20.1 14.3 0.1 88 ! 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 89 130 A G 0 0 58 0, 0.0 3,-0.1 0, 0.0 -28,-0.1 0.000 360.0 360.0 360.0 172.3 17.6 10.6 8.2 90 131 A G + 0 0 14 -30,-0.1 2,-0.5 -19,-0.1 -19,-0.2 -0.997 360.0 59.1 -95.6 2.3 15.1 9.9 7.2 91 132 A S S S- 0 0 26 1,-0.2 -21,-0.1 -16,-0.1 -19,-0.0 -0.779 90.7-132.9 -77.1 127.3 15.4 6.4 8.6 92 133 A T - 0 0 2 -2,-0.5 -1,-0.2 -3,-0.1 4,-0.1 0.725 33.7 -76.8 -61.4-129.2 15.9 7.0 12.3 93 134 A I S > S+ 0 0 1 -29,-0.1 4,-1.3 2,-0.1 -32,-0.1 0.772 117.0 62.2-108.8 -38.5 18.6 5.3 14.4 94 135 A T H >> S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 3,-1.5 0.965 103.4 43.6 -53.2 -71.7 17.2 1.9 14.9 95 136 A Q H 3> S+ 0 0 7 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.882 104.0 68.5 -44.7 -43.7 16.9 0.5 11.4 96 137 A Q H 3> S+ 0 0 24 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.900 102.9 45.3 -41.1 -49.8 20.4 2.0 10.7 97 138 A V H S+ 0 0 4 -4,-1.5 4,-3.1 2,-0.2 5,-0.6 0.899 111.4 48.8 -56.3 -43.9 19.6 -3.4 11.5 99 140 A K H X5S+ 0 0 55 -4,-3.5 4,-1.4 1,-0.2 -2,-0.2 0.985 115.7 41.8 -55.4 -61.3 21.0 -2.4 8.1 100 141 A N H <5S+ 0 0 39 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.743 118.2 51.5 -61.4 -23.5 24.6 -2.4 9.4 101 142 A Y H <5S+ 0 0 38 -4,-2.5 -2,-0.2 -5,-0.2 3,-0.2 0.969 124.4 15.0 -75.7 -59.8 23.7 -5.6 11.3 102 143 A F H <5S+ 0 0 25 -4,-3.1 2,-0.4 1,-0.2 -3,-0.2 0.908 130.3 24.5 -90.4 -46.9 22.2 -7.9 8.7 103 144 A Y << + 0 0 32 -4,-1.4 -1,-0.2 -5,-0.6 -2,-0.1 -0.766 55.8 145.6-134.1 87.9 22.9 -6.6 5.2 104 145 A D S S+ 0 0 108 -2,-0.4 -1,-0.1 -3,-0.2 -4,-0.1 0.801 76.6 50.6 -88.0 -33.6 26.0 -4.3 4.7 105 146 A N S S+ 0 0 143 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.803 105.6 54.2 -78.7 -32.6 26.9 -5.5 1.2 106 147 A D - 0 0 53 2,-0.0 2,-0.4 5,-0.0 -3,-0.0 -0.829 57.0-162.9-115.7 145.0 23.5 -5.2 -0.6 107 148 A R + 0 0 178 -2,-0.3 2,-0.3 4,-0.0 3,-0.1 -0.970 29.5 129.9-120.9 138.7 21.0 -2.4 -1.1 108 149 A S > - 0 0 58 -2,-0.4 4,-1.8 1,-0.1 -2,-0.0 -0.980 60.7-115.5-172.0 165.0 17.4 -2.9 -2.2 109 150 A F H > S+ 0 0 127 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.931 119.0 54.4 -71.8 -51.0 13.7 -2.1 -1.6 110 151 A T H > S+ 0 0 49 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.790 112.8 45.5 -53.1 -27.3 13.0 -5.8 -1.0 111 152 A R H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.875 104.6 61.0 -79.1 -41.5 15.8 -5.3 1.6 112 153 A K H X S+ 0 0 64 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.805 108.0 47.2 -52.5 -30.6 14.2 -2.1 2.7 113 154 A V H >X S+ 0 0 26 -4,-2.0 3,-1.3 2,-0.2 4,-1.3 0.972 107.1 48.9 -80.8 -57.2 11.2 -4.2 3.7 114 155 A K H 3X S+ 0 0 20 -4,-1.5 4,-1.8 1,-0.3 3,-0.3 0.879 105.1 68.6 -45.1 -39.3 12.7 -7.1 5.6 115 156 A E H 3X S+ 0 0 19 -4,-2.2 4,-0.6 1,-0.2 -1,-0.3 0.872 97.0 47.3 -46.5 -50.3 14.5 -4.4 7.4 116 157 A L H X S+ 0 0 4 -4,-0.6 3,-1.4 -5,-0.2 4,-1.2 0.944 102.7 47.2 -67.8 -49.1 12.6 -3.0 13.3 120 161 A H H 3X S+ 0 0 135 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.920 105.8 62.2 -51.8 -45.3 9.6 -4.4 15.2 121 162 A R H 3< S+ 0 0 54 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.439 105.2 43.5 -69.8 -1.8 11.7 -7.2 16.6 122 163 A V H X> S+ 0 0 10 -3,-1.4 4,-1.9 -4,-0.2 3,-0.6 0.774 104.4 53.2-117.2 -40.4 14.2 -5.0 18.5 123 164 A E H 3< S+ 0 0 29 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.843 115.1 50.1 -62.5 -30.1 12.3 -2.3 20.3 124 165 A K T 3< S+ 0 0 184 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.589 121.5 32.3 -81.0 -12.4 10.4 -5.3 21.6 125 166 A Q T <4 S+ 0 0 107 -3,-0.6 2,-0.3 1,-0.2 -2,-0.2 0.386 122.4 45.5-120.5 -0.2 13.7 -7.0 22.6 126 167 A Y S < S- 0 0 7 -4,-1.9 -1,-0.2 4,-0.0 -4,-0.0 -0.996 77.0-116.4-150.5 138.3 15.8 -3.9 23.5 127 168 A N > - 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0 0 81 42,-0.3 6,-0.2 -2,-0.3 2,-0.1 -0.827 42.9-174.5 -99.7 119.8 32.0 3.0 9.9 141 182 A F - 0 0 2 4,-3.4 4,-0.4 -2,-0.6 37,-0.0 -0.379 45.3 -69.1-101.5 179.0 34.2 5.8 11.1 142 183 A G S S+ 0 0 14 -2,-0.1 44,-0.1 2,-0.1 2,-0.1 0.837 117.1 10.6 -31.3 -76.2 37.1 7.8 9.4 143 184 A D S S- 0 0 64 1,-0.1 2,-2.9 42,-0.0 -2,-0.3 -0.042 127.0 -45.6 -89.0-159.3 39.7 5.0 9.3 144 185 A N S S+ 0 0 107 -4,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.290 96.5 123.9 -76.5 64.8 39.0 1.4 10.0 145 186 A Q + 0 0 55 -2,-2.9 -4,-3.4 -4,-0.4 6,-0.1 -0.937 31.1 172.9-124.8 146.7 36.9 2.0 13.1 146 187 A Y + 0 0 92 -2,-0.3 -7,-1.4 -6,-0.2 2,-0.2 0.559 61.1 65.9-133.8 -17.8 33.4 0.9 13.9 147 188 A T S S- 0 0 6 -9,-0.2 -10,-0.3 -10,-0.2 4,-0.3 -0.640 84.2-119.0 -96.3 166.7 32.6 1.7 17.5 148 189 A L S >> S+ 0 0 4 -2,-0.2 4,-1.5 1,-0.2 3,-0.8 0.870 117.8 45.5 -72.1 -37.8 32.5 5.3 18.7 149 190 A E H 3> S+ 0 0 27 1,-0.2 4,-1.3 -108,-0.2 5,-0.3 0.756 100.8 70.4 -74.9 -24.5 35.3 4.8 21.1 150 191 A G H 34 S+ 0 0 13 -109,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.616 112.5 28.4 -68.5 -13.5 37.2 3.0 18.3 151 192 A A H <>>S+ 0 0 10 -3,-0.8 4,-3.2 -4,-0.3 5,-0.6 0.599 105.3 77.2-115.1 -25.1 37.7 6.3 16.6 152 193 A A H X>S+ 0 0 9 -4,-1.5 6,-1.5 1,-0.2 5,-1.1 0.900 105.9 33.7 -53.2 -48.7 37.6 8.6 19.6 153 194 A N H <5S+ 0 0 63 -4,-1.3 -1,-0.2 4,-0.3 -3,-0.1 0.786 115.2 60.8 -78.6 -29.5 41.2 7.7 20.6 154 195 A H H 45S+ 0 0 85 -5,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.961 127.6 7.4 -59.0 -53.8 42.2 7.4 17.0 155 196 A Y H <5S+ 0 0 62 -4,-3.2 -3,-0.2 3,-0.1 -2,-0.2 0.904 143.4 28.0 -99.0 -56.7 41.3 10.9 16.1 156 197 A F T < - 0 0 37 -113,-0.2 3,-0.7 1,-0.2 -113,-0.2 -0.822 63.0-155.0 -93.4 117.8 33.0 8.1 28.7 162 203 A K T 3 S+ 0 0 99 -2,-0.7 -1,-0.2 -115,-0.5 -114,-0.1 0.850 102.7 49.4 -48.2 -35.7 31.6 10.7 31.2 163 204 A N T 3 S+ 0 0 87 -116,-0.3 -1,-0.2 -3,-0.1 -115,-0.1 0.777 81.6 123.0 -76.4 -29.1 33.6 8.6 33.7 164 205 A S < + 0 0 19 -3,-0.7 -5,-0.1 1,-0.2 5,-0.0 -0.085 27.3 171.2 -55.3 118.9 36.9 8.5 31.7 165 206 A T + 0 0 145 3,-0.1 3,-0.2 1,-0.0 -1,-0.2 0.233 69.3 63.4-101.9 10.2 39.9 9.8 33.6 166 207 A T S S+ 0 0 98 1,-0.2 2,-0.8 2,-0.1 3,-0.1 0.916 99.9 28.2-102.0 -66.4 42.4 8.6 31.0 167 208 A M S S- 0 0 84 1,-0.2 -1,-0.2 -9,-0.0 -8,-0.1 -0.763 107.8 -79.6-114.0 83.7 42.2 10.1 27.6 168 209 A S - 0 0 75 -2,-0.8 -9,-2.7 -10,-0.3 -1,-0.2 0.763 57.2 -85.4 32.7 133.4 40.8 13.6 27.7 169 210 A H B -a 159 0A 96 -11,-0.2 -9,-0.2 1,-0.1 -7,-0.1 -0.317 50.9 -95.8 -65.3 141.9 37.1 14.2 28.0 170 211 A I - 0 0 5 -11,-1.9 2,-0.3 -9,-0.2 -1,-0.1 -0.154 41.7-143.3 -49.8 147.9 34.9 14.2 24.8 171 212 A T - 0 0 36 1,-0.1 3,-0.3 -3,-0.1 4,-0.3 -0.736 13.8-129.3-111.5 167.6 34.3 17.7 23.4 172 213 A V S >> S+ 0 0 22 -2,-0.3 3,-2.6 1,-0.2 4,-1.1 0.945 108.1 57.1 -77.8 -52.6 31.2 19.1 21.8 173 214 A L T 34 S+ 0 0 44 1,-0.3 -1,-0.2 48,-0.2 4,-0.1 0.373 110.0 49.6 -63.3 8.0 33.0 20.5 18.7 174 215 A Q T 34 S+ 0 0 5 -3,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.511 100.1 64.3-114.5 -16.0 34.2 16.9 18.2 175 216 A S T X> S+ 0 0 0 -3,-2.6 4,-0.9 -4,-0.3 3,-0.7 0.808 98.0 50.5 -83.0 -32.2 30.8 15.3 18.6 176 217 A A H >X S+ 0 0 0 -4,-1.1 4,-2.6 1,-0.2 3,-1.0 0.917 100.3 65.9 -69.8 -42.4 29.1 16.7 15.5 177 218 A I H 3> S+ 0 0 40 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.679 102.5 49.6 -48.8 -21.5 32.0 15.7 13.4 178 219 A L H <> S+ 0 0 27 -3,-0.7 4,-1.7 2,-0.2 -1,-0.3 0.731 101.8 56.5 -98.4 -28.7 31.0 12.2 14.2 179 220 A A H << S+ 0 0 5 -3,-1.0 4,-0.4 -4,-0.9 -2,-0.2 0.885 110.5 50.0 -63.7 -36.1 27.3 12.6 13.3 180 221 A S H >X S+ 0 0 18 -4,-2.6 4,-2.2 1,-0.2 3,-1.9 0.965 104.8 57.9 -59.3 -51.6 28.9 13.6 10.0 181 222 A K H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.837 81.8 82.6 -47.6 -43.4 31.0 10.5 10.0 182 223 A V T 3< S+ 0 0 24 -4,-1.7 -42,-0.3 1,-0.3 -1,-0.3 0.745 125.0 0.4 -41.8 -31.1 28.1 8.1 10.2 183 224 A N T <4 S+ 0 0 128 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.400 108.0 106.4-129.4 -7.2 27.9 8.6 6.4 184 225 A A X + 0 0 12 -4,-2.2 4,-1.4 -5,-0.2 -3,-0.2 0.799 54.5 132.3 -46.1 -46.0 30.8 11.0 5.9 185 226 A P T 4 - 0 0 36 0, 0.0 4,-0.1 0, 0.0 -45,-0.0 -0.244 59.8 -7.6 -59.5 149.2 33.2 8.4 4.4 186 227 A S T 4 S+ 0 0 101 2,-0.3 -2,-0.1 -44,-0.1 -3,-0.0 -0.977 122.2 45.5-123.7 -6.8 34.9 8.5 2.1 187 228 A V T 4 S+ 0 0 143 -3,-0.1 2,-0.4 -2,-0.0 -3,-0.1 0.897 117.8 56.6 -53.5 -42.0 34.6 11.5 -0.3 188 229 A Y S < S- 0 0 48 -4,-1.4 2,-0.4 -7,-0.1 -2,-0.3 -0.752 80.7-162.1 -90.0 140.4 34.7 13.4 3.0 189 230 A N - 0 0 50 3,-0.5 5,-0.1 -2,-0.4 -2,-0.0 -0.969 23.6-144.8-127.4 144.8 37.6 12.9 5.3 190 231 A I S S+ 0 0 30 -2,-0.4 3,-0.2 1,-0.1 -1,-0.1 0.705 102.6 49.9 -78.1 -20.7 38.0 13.7 9.0 191 232 A N S S+ 0 0 98 1,-0.3 2,-0.5 -49,-0.0 -1,-0.1 0.962 126.4 18.1 -79.0 -61.0 41.7 14.5 8.5 192 233 A N S S- 0 0 130 0, 0.0 -3,-0.5 0, 0.0 -1,-0.3 -0.955 84.3-166.3-116.6 113.6 41.4 16.9 5.5 193 234 A M - 0 0 83 -2,-0.5 -3,-0.1 -3,-0.2 2,-0.1 -0.387 12.1-128.3 -96.1 169.7 37.8 18.3 5.1 194 235 A S > - 0 0 41 -2,-0.1 4,-0.8 -5,-0.1 -1,-0.1 -0.127 30.9-102.2 -97.9-159.3 36.0 20.1 2.3 195 236 A E T 4 S+ 0 0 167 2,-0.2 4,-0.3 3,-0.1 -2,-0.0 0.648 123.7 40.9-103.5 -23.4 34.0 23.3 2.3 196 237 A N T > S+ 0 0 88 2,-0.2 4,-1.3 3,-0.1 -1,-0.1 0.688 110.5 61.8 -89.5 -26.2 30.6 21.7 2.3 197 238 A F H >> S+ 0 0 6 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.975 103.4 47.4 -55.4 -58.0 32.0 19.2 4.7 198 239 A T H 3X S+ 0 0 69 -4,-0.8 4,-0.9 1,-0.2 -1,-0.2 0.810 104.1 69.0 -53.3 -30.7 32.6 21.9 7.2 199 240 A Q H 3> S+ 0 0 116 -4,-0.3 4,-1.2 1,-0.2 3,-0.5 0.935 94.3 50.2 -54.1 -55.2 29.0 23.0 6.4 200 241 A R H XX S+ 0 0 105 -4,-1.3 4,-3.5 -3,-0.6 3,-0.8 0.895 98.9 57.4 -61.8 -54.4 27.1 20.2 7.9 201 242 A V H 3X S+ 0 0 16 -4,-0.8 4,-4.5 1,-0.3 5,-0.3 0.857 105.3 56.3 -49.8 -36.3 28.5 19.8 11.5 202 243 A S H 3X S+ 0 0 39 -4,-0.9 4,-2.5 -3,-0.5 -1,-0.3 0.930 112.6 40.9 -57.7 -46.7 27.5 23.4 12.0 203 244 A T H X S+ 0 0 4 -4,-3.5 4,-1.3 1,-0.2 3,-0.7 0.905 113.0 44.7 -45.1 -53.1 24.4 19.2 13.0 205 246 A L H 3X S+ 0 0 6 -4,-4.5 4,-1.9 1,-0.2 3,-0.5 0.935 103.1 65.5 -57.4 -48.7 25.4 21.2 16.1 206 247 A E H 3X S+ 0 0 108 -4,-2.5 4,-3.3 1,-0.3 6,-0.2 0.758 102.6 47.5 -50.4 -31.4 22.7 23.7 15.6 207 248 A K H S+ 0 0 0 -4,-1.3 6,-1.9 -3,-0.5 5,-1.3 0.845 117.5 37.5 -55.2 -31.5 21.8 19.8 19.4 209 250 A K H ><5S+ 0 0 41 -4,-1.9 3,-0.7 3,-0.2 -2,-0.3 0.893 119.0 49.0 -80.4 -47.4 21.3 23.5 20.3 210 251 A Q H 3<5S+ 0 0 126 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.971 118.4 37.2 -55.0 -62.0 17.9 23.6 18.7 211 252 A Q T 3<5S- 0 0 36 -4,-4.4 -1,-0.3 -157,-0.1 -3,-0.2 0.320 118.5-122.1 -77.7 7.6 16.6 20.5 20.3 212 253 A N T < 5 + 0 0 128 -3,-0.7 -3,-0.2 -5,-0.4 -4,-0.2 0.649 67.8 142.6 67.1 22.3 18.6 21.8 23.3 213 254 A Y S > S+ 0 0 97 1,-0.2 3,-3.5 2,-0.1 4,-0.6 0.992 114.2 59.8 -70.3 -63.7 23.8 28.3 24.4 217 258 A T H 3> S+ 0 0 100 1,-0.3 4,-0.9 2,-0.2 3,-0.3 0.748 102.5 53.4 -37.1 -43.8 27.2 28.9 26.0 218 259 A Q H 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.586 97.5 68.8 -75.0 -8.5 28.7 25.6 24.9 219 260 A Y H X4 S+ 0 0 61 -3,-3.5 3,-0.9 -4,-0.2 -1,-0.2 0.920 98.4 43.0 -82.1 -45.6 27.8 26.1 21.2 220 261 A Q H >X S+ 0 0 98 -4,-0.6 4,-0.6 -3,-0.3 3,-0.6 0.803 107.1 60.8 -70.0 -31.5 30.1 29.0 20.2 221 262 A Q T 3< S+ 0 0 119 -4,-0.9 4,-0.3 1,-0.3 -1,-0.3 0.544 112.1 41.7 -69.8 -3.3 33.0 27.4 22.1 222 263 A A T <4 S+ 0 0 1 -3,-0.9 -2,-0.3 2,-0.1 -1,-0.3 0.368 114.3 52.1-113.5 -4.4 32.1 24.7 19.5 223 264 A M T <4 S+ 0 0 50 -3,-0.6 -2,-0.2 3,-0.1 -3,-0.2 0.265 112.1 45.4-110.4 7.2 31.7 27.4 16.8 224 265 A S S >< S+ 0 0 43 -4,-0.6 3,-1.4 -5,-0.1 -3,-0.2 0.759 107.8 47.0-113.6 -64.6 35.1 29.0 17.5 225 266 A Q T 3 S+ 0 0 31 -4,-0.3 3,-0.3 1,-0.3 -3,-0.1 0.656 107.2 64.2 -54.3 -17.5 37.8 26.3 17.8 226 267 A L T 3 S+ 0 0 55 1,-0.2 2,-0.9 2,-0.1 -1,-0.3 0.810 96.6 55.4 -80.1 -30.9 36.3 24.8 14.6 227 268 A N < 0 0 123 -3,-1.4 -1,-0.2 -4,-0.0 -4,-0.0 -0.685 360.0 360.0-104.1 79.0 37.2 27.7 12.4 228 269 A R 0 0 230 -2,-0.9 -3,-0.1 -3,-0.3 -2,-0.1 -0.397 360.0 360.0-152.0 360.0 40.9 28.0 12.9