==== 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 16-SEP-05 2D2R . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR C.J.KUO,R.T.GUO,C.L.CHEN,T.P.KO,Y.S.CHENG,Y.L.CHENG,P.H.LIAN . 418 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 12.9 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 22 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 0 1 0 0 0 0 0 5 0 0 1 1 0 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 7 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 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 2 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 S 0 0 122 0, 0.0 45,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.0 -4.7 53.0 93.6 2 4 A T + 0 0 72 1,-0.1 2,-0.9 2,-0.1 0, 0.0 0.712 360.0 75.7 -76.7 -23.0 -1.7 53.5 91.5 3 5 A L + 0 0 7 1,-0.2 45,-0.2 162,-0.0 -1,-0.1 -0.802 50.2 140.0 -95.1 105.6 -0.0 54.8 94.6 4 6 A K + 0 0 82 -2,-0.9 45,-2.0 1,-0.3 44,-1.4 0.754 64.4 37.4-112.1 -38.2 0.8 51.9 96.9 5 7 A H E -a 49 0A 2 158,-0.2 160,-2.7 43,-0.2 161,-1.3 -0.970 61.5-176.2-125.9 118.5 4.2 52.7 98.4 6 8 A L E -ab 50 166A 0 43,-2.4 45,-2.1 -2,-0.5 2,-0.4 -0.910 6.3-168.0-111.0 136.5 5.2 56.3 99.4 7 9 A A E -ab 51 167A 0 159,-2.1 161,-3.1 -2,-0.4 2,-0.4 -0.972 3.5-162.4-126.9 140.6 8.7 56.9 100.7 8 10 A I E -ab 52 168A 0 43,-3.0 45,-2.5 -2,-0.4 2,-0.8 -0.976 21.9-155.8-134.4 132.8 9.9 60.1 102.3 9 11 A I E - b 0 169A 10 159,-2.8 161,-2.2 -2,-0.4 2,-1.6 -0.907 27.2-151.5 -95.4 109.6 13.2 61.7 103.1 10 12 A M + 0 0 30 -2,-0.8 3,-0.3 43,-0.4 2,-0.2 -0.607 30.7 163.8 -86.2 83.1 12.1 63.9 106.1 11 13 A D + 0 0 59 -2,-1.6 185,-1.8 1,-0.2 160,-0.1 -0.627 37.8 55.1-103.1 162.0 14.6 66.7 105.8 12 14 A G > + 0 0 3 183,-0.2 4,-1.8 -2,-0.2 -1,-0.2 0.457 64.0 121.3 103.6 1.4 14.5 70.2 107.3 13 15 A N H >> S+ 0 0 29 -3,-0.3 4,-1.6 2,-0.2 3,-0.7 0.991 79.2 34.3 -59.3 -73.3 14.2 69.5 111.1 14 16 A G H 3> S+ 0 0 16 1,-0.3 4,-1.2 2,-0.2 8,-0.2 0.865 120.1 54.3 -53.8 -34.9 17.2 71.1 112.8 15 17 A R H 3> S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.847 103.0 54.6 -69.0 -34.1 17.0 73.8 110.2 16 18 A W H << S+ 0 0 12 -4,-1.8 4,-0.4 -3,-0.7 -1,-0.2 0.793 108.6 50.7 -68.1 -29.0 13.3 74.5 111.0 17 19 A A H <>S+ 0 0 0 -4,-1.6 5,-4.0 1,-0.2 -1,-0.2 0.775 104.8 58.5 -78.6 -27.6 14.5 75.0 114.6 18 20 A K H ><5S+ 0 0 116 -4,-1.2 3,-1.4 3,-0.3 -2,-0.2 0.864 101.1 52.0 -71.9 -37.6 17.2 77.3 113.5 19 21 A L T 3<5S+ 0 0 122 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.703 112.1 46.8 -73.2 -16.3 14.9 79.9 111.8 20 22 A K T 3 5S- 0 0 100 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.203 121.8-120.8-100.2 9.0 13.0 79.9 115.1 21 23 A N T < 5 + 0 0 138 -3,-1.4 -3,-0.3 1,-0.2 2,-0.3 0.921 64.3 143.2 46.6 57.8 16.5 80.2 116.5 22 24 A K < - 0 0 126 -5,-4.0 -1,-0.2 -8,-0.2 2,-0.1 -0.820 55.6 -91.7-125.0 161.7 16.1 77.0 118.6 23 25 A A >> - 0 0 76 -2,-0.3 3,-1.4 1,-0.1 4,-0.9 -0.443 44.6-106.5 -72.0 144.7 18.2 74.1 119.7 24 26 A R H 3> S+ 0 0 171 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.697 113.1 65.6 -38.5 -36.5 18.2 70.9 117.5 25 27 A A H 3> S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.911 94.4 55.5 -59.4 -48.5 16.0 69.0 119.9 26 28 A Y H <> S+ 0 0 121 -3,-1.4 4,-1.7 1,-0.2 5,-0.2 0.953 108.2 52.4 -48.9 -54.4 12.9 71.2 119.5 27 29 A G H X S+ 0 0 0 -4,-0.9 4,-2.2 1,-0.2 3,-0.4 0.904 109.8 43.2 -48.9 -58.3 13.1 70.5 115.8 28 30 A H H X S+ 0 0 88 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.912 108.9 58.1 -60.3 -43.0 13.2 66.7 115.8 29 31 A K H X S+ 0 0 100 -4,-2.3 4,-0.6 1,-0.3 -1,-0.2 0.864 110.6 43.3 -55.4 -38.3 10.6 66.3 118.4 30 32 A K H >X S+ 0 0 76 -4,-1.7 4,-1.9 -3,-0.4 3,-1.0 0.866 107.8 59.9 -72.1 -39.7 8.1 68.2 116.2 31 33 A G H 3X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.3 -2,-0.2 0.887 101.2 57.7 -54.2 -38.6 9.4 66.2 113.3 32 34 A V H 3X S+ 0 0 25 -4,-2.6 4,-1.9 1,-0.2 -1,-0.3 0.792 102.0 51.3 -63.7 -31.8 8.2 63.3 115.3 33 35 A K H <>S+ 0 0 0 -4,-2.5 5,-1.6 1,-0.2 3,-1.6 0.902 110.2 53.9 -63.6 -38.6 -1.7 57.4 105.1 43 45 A A H ><5S+ 0 0 19 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.934 110.7 46.8 -59.8 -45.0 -3.1 54.6 107.2 44 46 A N T 3<5S+ 0 0 109 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.294 108.2 57.9 -81.6 12.6 -6.5 56.1 106.8 45 47 A H T < 5S- 0 0 104 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.262 114.7-101.8-126.7 15.8 -6.2 56.6 103.1 46 48 A K T < 5 + 0 0 190 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.901 63.4 157.0 68.3 43.2 -5.5 53.1 101.9 47 49 A L < - 0 0 8 -5,-1.6 -1,-0.2 1,-0.1 -43,-0.1 -0.771 31.5-155.9 -91.5 144.0 -1.8 53.5 101.4 48 50 A E S S+ 0 0 77 -44,-1.4 66,-1.5 -2,-0.4 2,-0.3 0.792 70.5 11.4 -93.7 -23.7 -0.2 50.1 101.5 49 51 A C E -ac 5 114A 1 -45,-2.0 -43,-2.4 64,-0.2 2,-0.4 -0.988 51.8-174.3-155.7 139.6 3.3 51.1 102.6 50 52 A L E -ac 6 115A 0 64,-2.1 66,-3.3 -2,-0.3 2,-0.5 -0.993 10.4-168.9-135.5 122.7 5.1 54.2 103.9 51 53 A T E -ac 7 116A 0 -45,-2.1 -43,-3.0 -2,-0.4 2,-0.4 -0.974 5.3-165.4-118.4 129.4 8.9 54.2 104.3 52 54 A L E -ac 8 117A 0 64,-2.5 66,-2.7 -2,-0.5 2,-1.9 -0.916 24.8-127.8-119.1 133.3 10.6 57.0 106.2 53 55 A Y E + c 0 118A 46 -45,-2.5 -43,-0.4 -2,-0.4 66,-0.1 -0.582 35.8 170.2 -83.0 87.4 14.2 57.8 106.2 54 56 A A 0 0 40 -2,-1.9 -1,-0.2 64,-0.6 65,-0.2 0.954 360.0 360.0 -60.5 -54.8 14.7 57.9 110.0 55 57 A F 0 0 87 63,-1.9 66,-2.5 -3,-0.2 65,-0.6 -0.944 360.0 360.0-173.3 360.0 18.4 58.1 109.9 56 ! 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 57 68 A E > 0 0 197 0, 0.0 4,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.4 27.0 59.8 122.1 58 69 A V H > + 0 0 97 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.851 360.0 60.2 -71.6 -34.2 25.6 57.3 119.6 59 70 A D H > S+ 0 0 126 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.881 102.3 55.3 -59.3 -36.7 24.5 55.0 122.5 60 71 A F H >> S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.896 103.5 51.8 -64.0 -42.1 22.3 58.0 123.6 61 72 A L H 3X S+ 0 0 82 -4,-1.1 4,-2.0 1,-0.3 -1,-0.2 0.890 109.3 51.5 -59.8 -42.1 20.5 58.3 120.2 62 73 A M H 3X S+ 0 0 17 -4,-1.9 4,-1.4 2,-0.2 -1,-0.3 0.649 106.1 55.9 -70.2 -17.4 19.7 54.6 120.4 63 74 A K H < S+ 0 0 90 -4,-3.9 3,-1.1 -5,-0.3 -2,-0.2 0.989 116.7 31.3 -55.6 -71.0 6.4 55.1 123.8 72 83 A E H >X S+ 0 0 25 -4,-2.0 3,-2.3 1,-0.3 4,-0.9 0.449 84.6 108.7 -72.2 4.5 4.3 55.0 120.6 73 84 A R H >X S+ 0 0 92 -4,-0.9 4,-1.1 -3,-0.4 3,-0.8 0.862 78.3 59.3 -44.1 -35.9 4.1 51.2 120.5 74 85 A S H <> S+ 0 0 69 -3,-1.1 4,-1.8 -4,-0.4 -1,-0.3 0.784 95.6 58.4 -66.6 -30.7 0.5 52.0 121.4 75 86 A T H <> S+ 0 0 29 -3,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.686 99.6 56.9 -78.3 -15.9 -0.2 54.0 118.3 76 87 A Y H <<>S+ 0 0 7 -4,-0.9 5,-2.3 -3,-0.8 4,-0.4 0.897 111.1 43.5 -76.7 -41.0 0.7 51.2 115.9 77 88 A L H ><5S+ 0 0 59 -4,-1.1 3,-0.7 1,-0.2 -2,-0.2 0.888 111.4 55.3 -68.2 -42.2 -1.9 48.9 117.6 78 89 A D H 3<5S+ 0 0 131 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.698 116.4 33.6 -67.8 -22.1 -4.5 51.6 117.7 79 90 A N T 3<5S- 0 0 47 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.281 110.7-111.2-116.6 10.2 -4.5 52.4 114.0 80 91 A N T < 5 + 0 0 102 -3,-0.7 2,-0.4 -4,-0.4 33,-0.4 0.994 61.0 157.1 56.7 69.1 -3.8 49.0 112.7 81 92 A I < - 0 0 2 -5,-2.3 33,-0.2 31,-0.1 -1,-0.2 -0.965 35.9-140.9-131.1 114.2 -0.3 49.7 111.4 82 93 A R E -d 114 0A 80 31,-2.3 33,-2.7 -2,-0.4 2,-0.4 -0.514 20.8-137.6 -73.0 142.0 2.3 47.0 110.9 83 94 A F E +d 115 0A 2 20,-0.4 2,-0.4 21,-0.2 33,-0.2 -0.843 25.7 169.5-108.1 133.7 5.9 47.9 111.9 84 95 A R E -d 116 0A 36 31,-1.9 33,-2.6 -2,-0.4 2,-0.4 -1.000 16.2-156.3-141.6 138.0 9.0 47.2 110.0 85 96 A A E -d 117 0A 8 -2,-0.4 2,-0.3 31,-0.2 33,-0.2 -0.911 10.8-175.3-109.7 142.0 12.6 48.4 110.4 86 97 A I E +d 118 0A 0 31,-2.4 33,-3.4 -2,-0.4 2,-0.3 -0.954 39.8 69.2-132.8 150.7 15.2 48.4 107.6 87 98 A G S S- 0 0 3 -2,-0.3 2,-1.4 31,-0.2 34,-0.3 -0.752 98.4 -42.8 131.8-179.7 18.9 49.3 107.9 88 99 A D > + 0 0 37 32,-2.2 3,-1.3 -2,-0.3 -2,-0.1 -0.663 56.4 171.7 -84.0 85.5 21.9 47.7 109.5 89 100 A L G > + 0 0 32 -2,-1.4 3,-1.7 1,-0.3 -1,-0.2 0.652 65.7 80.1 -69.9 -16.7 20.4 46.6 112.8 90 101 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.749 84.2 63.0 -61.1 -26.1 23.5 44.7 113.7 91 102 A G G < S+ 0 0 50 -3,-1.3 -1,-0.3 29,-0.1 2,-0.2 0.158 89.8 101.7 -87.6 22.2 25.0 48.0 114.7 92 103 A F S < S- 0 0 13 -3,-1.7 2,-0.2 1,-0.1 -33,-0.1 -0.690 81.6-100.6-105.9 160.0 22.4 48.4 117.5 93 104 A S >> - 0 0 53 -2,-0.2 4,-2.8 1,-0.1 3,-0.6 -0.534 39.0-116.6 -70.9 141.8 22.5 47.9 121.2 94 105 A K H 3> S+ 0 0 154 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.831 116.6 57.4 -49.0 -34.9 20.9 44.5 122.1 95 106 A E H 3> S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.934 110.5 40.1 -66.2 -44.8 18.2 46.5 123.9 96 107 A L H <> S+ 0 0 0 -3,-0.6 4,-3.3 2,-0.2 -2,-0.2 0.954 116.1 49.6 -68.8 -47.4 17.2 48.5 120.9 97 108 A R H X S+ 0 0 39 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.860 111.7 53.5 -58.4 -31.8 17.5 45.6 118.5 98 109 A D H X S+ 0 0 86 -4,-2.0 4,-1.9 -5,-0.4 -1,-0.2 0.930 110.9 42.2 -69.5 -47.2 15.4 43.8 121.1 99 110 A T H X S+ 0 0 17 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.886 114.3 53.8 -69.7 -35.3 12.6 46.4 121.1 100 111 A I H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 3,-0.5 0.996 109.3 45.7 -59.9 -60.6 12.8 46.7 117.4 101 112 A L H X S+ 0 0 85 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.851 113.6 52.7 -51.1 -36.5 12.3 43.0 116.8 102 113 A Q H X S+ 0 0 111 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.891 104.5 50.7 -72.2 -37.6 9.5 42.9 119.3 103 114 A L H X S+ 0 0 7 -4,-2.3 4,-1.2 -3,-0.5 -20,-0.4 0.871 112.4 51.9 -66.8 -29.7 7.4 45.8 117.9 104 115 A E H >X S+ 0 0 42 -4,-2.0 4,-1.6 -5,-0.2 3,-0.7 0.967 110.2 46.0 -66.0 -54.2 7.8 43.8 114.6 105 116 A N H >< S+ 0 0 70 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.958 113.6 50.9 -50.1 -57.2 6.6 40.6 116.1 106 117 A D H 3< S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.691 118.0 35.7 -56.4 -26.9 3.7 42.4 117.8 107 118 A T H X< S+ 0 0 0 -4,-1.2 3,-2.2 -3,-0.7 -1,-0.2 0.499 81.5 103.9-108.4 -6.6 2.5 44.1 114.7 108 119 A R T << S+ 0 0 115 -4,-1.6 -1,-0.1 -3,-0.9 -2,-0.1 0.468 71.6 74.6 -55.3 -0.9 3.1 41.5 112.1 109 120 A H T 3 S+ 0 0 126 -3,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.780 73.0 84.7 -84.8 -32.3 -0.6 40.9 112.2 110 121 A F < + 0 0 44 -3,-2.2 -3,-0.0 1,-0.1 -29,-0.0 -0.585 48.4 171.8 -76.1 128.8 -1.7 43.9 110.3 111 122 A K + 0 0 176 -2,-0.4 -1,-0.1 3,-0.0 3,-0.1 0.571 61.9 66.1-115.4 -11.0 -1.6 43.3 106.6 112 123 A D S S+ 0 0 134 1,-0.2 2,-0.4 -32,-0.1 -31,-0.1 0.984 107.4 20.6 -75.9 -56.7 -3.3 46.3 105.0 113 124 A F - 0 0 6 -33,-0.4 -31,-2.3 -64,-0.0 2,-0.4 -0.934 64.0-169.1-120.2 137.6 -0.9 49.2 105.8 114 125 A T E -cd 49 82A 15 -66,-1.5 -64,-2.1 -2,-0.4 2,-0.5 -0.969 9.1-158.1-125.2 139.3 2.8 49.0 106.8 115 126 A Q E -cd 50 83A 3 -33,-2.7 -31,-1.9 -2,-0.4 2,-0.4 -0.981 14.4-164.8-115.0 125.7 5.1 51.8 108.1 116 127 A V E -cd 51 84A 0 -66,-3.3 -64,-2.5 -2,-0.5 2,-0.5 -0.941 3.8-158.0-113.0 130.1 8.8 51.1 107.5 117 128 A L E -cd 52 85A 5 -33,-2.6 -31,-2.4 -2,-0.4 2,-0.8 -0.952 11.7-142.3-111.5 126.7 11.5 53.0 109.4 118 129 A A E -cd 53 86A 0 -66,-2.7 -63,-1.9 -2,-0.5 -64,-0.6 -0.796 26.9-177.7 -85.2 112.7 14.9 53.2 107.9 119 130 A L - 0 0 2 -33,-3.4 -31,-0.2 -2,-0.8 3,-0.1 -0.963 69.0 -12.7-121.6 123.1 17.3 53.0 110.8 120 131 A N S S+ 0 0 59 -65,-0.6 -32,-2.2 -2,-0.5 2,-0.4 0.943 104.2 167.9 51.9 45.4 21.1 53.2 110.5 121 132 A Y + 0 0 10 -66,-2.5 2,-0.3 -34,-0.3 -1,-0.2 -0.756 25.6 161.9-101.4 139.2 20.1 52.8 106.8 122 133 A G > - 0 0 7 -2,-0.4 4,-2.6 -3,-0.1 57,-0.2 -0.969 32.6-140.2-149.7 135.5 22.1 53.1 103.7 123 134 A S H > S+ 0 0 0 55,-2.6 4,-2.7 -2,-0.3 5,-0.2 0.913 103.8 49.4 -64.9 -46.0 21.2 51.7 100.2 124 135 A K H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 114.0 47.7 -60.4 -39.5 24.7 50.7 99.2 125 136 A N H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 109.4 52.9 -66.0 -42.7 25.1 49.0 102.6 126 137 A E H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.937 111.5 46.3 -57.7 -44.0 21.7 47.3 102.2 127 138 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.875 110.2 53.9 -65.7 -35.5 22.8 46.0 98.8 128 139 A S H X S+ 0 0 7 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.885 110.2 46.5 -64.1 -41.6 26.1 44.9 100.3 129 140 A R H X S+ 0 0 42 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.848 108.9 55.5 -70.8 -31.0 24.3 42.9 103.0 130 141 A A H X S+ 0 0 1 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.917 109.5 47.6 -65.8 -38.9 22.0 41.4 100.3 131 142 A F H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.878 110.0 50.5 -67.0 -41.7 25.1 40.2 98.5 132 143 A K H X S+ 0 0 83 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.831 108.1 55.8 -64.0 -34.9 26.7 38.8 101.6 133 144 A S H X S+ 0 0 39 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.924 109.6 44.6 -63.5 -43.6 23.3 37.0 102.1 134 145 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.832 115.2 47.5 -71.7 -33.5 23.6 35.4 98.7 135 146 A L H < S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 117.4 41.9 -73.5 -40.6 27.2 34.4 99.1 136 147 A E H < S+ 0 0 138 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.815 134.9 16.3 -78.2 -30.9 26.7 33.0 102.6 137 148 A S S < S- 0 0 72 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 -0.604 81.5-168.4-140.4 78.2 23.4 31.2 101.7 138 149 A P - 0 0 67 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.188 36.2 -93.7 -68.1 161.4 22.9 30.9 98.0 139 150 A P > - 0 0 15 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.473 42.3-115.7 -66.5 146.5 19.5 29.9 96.4 140 151 A S T 3 S+ 0 0 129 1,-0.3 3,-0.4 2,-0.1 0, 0.0 0.852 115.1 46.0 -57.6 -34.9 19.8 26.1 96.0 141 152 A N T > S+ 0 0 77 1,-0.2 3,-2.8 2,-0.1 4,-0.3 0.110 70.6 127.8 -91.5 20.3 19.6 26.5 92.2 142 153 A I G X + 0 0 39 -3,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.798 67.0 64.9 -46.3 -29.1 22.1 29.3 92.0 143 154 A S G 3 S+ 0 0 110 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.752 99.8 49.0 -64.5 -31.6 23.9 27.2 89.5 144 155 A L G < S+ 0 0 142 -3,-2.8 2,-0.3 2,-0.0 -1,-0.3 0.227 96.9 97.0 -93.3 10.1 21.1 27.4 86.9 145 156 A L < + 0 0 36 -3,-1.3 3,-0.1 -4,-0.3 -3,-0.0 -0.689 33.1 162.4-104.7 155.8 20.8 31.1 87.2 146 157 A E S S+ 0 0 129 1,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.490 71.2 51.8-129.7 -63.3 22.1 34.0 85.2 147 158 A S - 0 0 74 1,-0.1 -1,-0.5 195,-0.0 4,-0.1 -0.631 61.3-173.7 -77.0 131.4 20.1 37.1 86.0 148 159 A L > + 0 0 0 -2,-0.3 4,-2.6 186,-0.1 5,-0.2 0.277 49.5 109.5-107.8 8.4 20.0 37.6 89.8 149 160 A E H > S+ 0 0 63 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.927 82.2 45.0 -50.7 -53.0 17.6 40.6 90.1 150 161 A N H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.919 113.6 52.9 -60.5 -37.6 14.7 38.7 91.6 151 162 A E H 4 S+ 0 0 41 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.878 111.4 44.8 -66.8 -33.2 17.2 37.0 93.9 152 163 A I H >X S+ 0 0 0 -4,-2.6 3,-2.3 2,-0.2 4,-0.9 0.960 109.2 56.3 -73.8 -44.9 18.6 40.4 95.1 153 164 A S H >< S+ 0 0 29 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.878 107.2 50.1 -53.2 -37.2 15.1 41.8 95.5 154 165 A N T 3< S+ 0 0 52 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.503 109.9 48.8 -87.5 2.6 14.2 39.0 97.8 155 166 A R T <4 S+ 0 0 60 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.387 87.4 103.7-114.5 -3.7 17.2 39.4 100.0 156 167 A L S X< S- 0 0 2 -4,-0.9 3,-2.0 -3,-0.7 -29,-0.1 -0.415 89.0-108.7 -74.1 158.4 17.0 43.2 100.5 157 168 A D T 3 S+ 0 0 35 1,-0.3 -1,-0.1 -2,-0.1 -72,-0.1 0.779 120.7 57.5 -56.1 -27.6 15.6 44.5 103.9 158 169 A T T > S+ 0 0 8 -5,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.257 74.7 149.3 -88.8 9.8 12.4 45.5 101.9 159 170 A R T < + 0 0 123 -3,-2.0 -5,-0.1 1,-0.3 -6,-0.0 -0.113 69.9 16.5 -47.1 141.7 11.7 42.0 100.5 160 171 A N T 3 S+ 0 0 106 1,-0.3 -1,-0.3 -7,-0.1 -6,-0.1 0.434 98.6 112.1 74.3 -3.5 8.0 41.5 100.0 161 172 A L S < S- 0 0 22 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.690 77.2-105.7 -93.0 157.5 7.2 45.2 100.1 162 173 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.368 44.0 -90.6 -75.7 167.2 6.0 46.7 96.8 163 174 A E - 0 0 67 1,-0.1 2,-0.4 -3,-0.0 -158,-0.2 -0.243 53.5 -85.6 -70.1 165.6 8.4 48.9 94.9 164 175 A V - 0 0 5 19,-2.2 22,-0.3 1,-0.2 -158,-0.2 -0.592 39.6-177.3 -75.1 130.1 8.4 52.6 95.6 165 176 A D S S+ 0 0 46 -160,-2.7 23,-2.7 -2,-0.4 2,-0.4 0.778 74.1 15.8 -94.2 -32.2 5.8 54.6 93.6 166 177 A L E -be 6 188A 0 -161,-1.3 -159,-2.1 21,-0.3 2,-0.6 -0.974 63.6-163.4-147.0 122.2 6.6 58.1 94.7 167 178 A L E -be 7 189A 6 21,-2.7 23,-2.4 -2,-0.4 2,-0.4 -0.960 16.4-168.3-110.6 116.0 9.8 59.1 96.6 168 179 A L E -be 8 190A 0 -161,-3.1 -159,-2.8 -2,-0.6 2,-0.4 -0.892 10.3-167.5-109.8 139.6 9.4 62.5 98.3 169 180 A R E -be 9 191A 15 21,-2.0 23,-1.9 -2,-0.4 3,-0.3 -0.986 7.1-165.5-127.6 121.6 12.1 64.7 99.8 170 181 A T + 0 0 0 -161,-2.2 3,-0.4 -2,-0.4 25,-0.2 -0.399 59.7 57.5 -93.0 174.1 11.2 67.6 102.0 171 182 A G S S- 0 0 0 23,-2.7 -1,-0.2 21,-0.2 24,-0.2 0.502 109.5 -82.3 86.0 2.0 13.5 70.5 103.0 172 183 A G S S+ 0 0 41 20,-2.0 -1,-0.2 -3,-0.3 2,-0.1 0.149 89.4 118.1 98.2 -28.2 14.7 71.9 99.7 173 184 A E - 0 0 46 -3,-0.4 2,-0.3 19,-0.2 -1,-0.2 -0.447 49.0-152.0 -78.8 152.8 17.5 69.5 98.7 174 185 A M + 0 0 45 -2,-0.1 217,-3.0 -3,-0.1 2,-0.3 -0.643 54.4 102.5-126.8 77.5 17.4 67.5 95.5 175 186 A R - 0 0 43 -2,-0.3 215,-0.1 215,-0.2 213,-0.1 -0.959 66.2-131.7-149.1 155.0 19.5 64.3 96.0 176 187 A L > - 0 0 5 210,-0.4 3,-0.6 213,-0.4 212,-0.2 0.720 31.4-151.7 -83.8 -23.6 18.5 60.7 96.8 177 188 A S T 3 - 0 0 18 210,-0.4 211,-0.2 1,-0.2 210,-0.1 0.877 60.1 -61.4 52.6 47.4 21.0 60.5 99.6 178 189 A N T 3 S+ 0 0 14 209,-2.4 -55,-2.6 1,-0.2 2,-0.5 0.852 97.7 142.6 54.8 38.3 21.7 56.7 99.4 179 190 A F S < S- 0 0 0 -3,-0.6 -1,-0.2 208,-0.2 5,-0.1 -0.952 73.2 -31.3-118.5 118.0 18.0 55.9 100.2 180 191 A L S > S+ 0 0 0 -2,-0.5 4,-1.6 -3,-0.1 -1,-0.1 0.862 75.1 162.8 46.9 49.4 16.1 53.1 98.6 181 192 A L T 4 S+ 0 0 2 1,-0.2 3,-0.3 2,-0.2 -1,-0.1 0.955 74.1 40.7 -63.2 -48.6 18.1 53.4 95.3 182 193 A W T >4 S+ 0 0 3 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.936 116.8 48.3 -65.3 -46.5 17.1 49.9 94.1 183 194 A Q T 34 S+ 0 0 2 1,-0.3 -19,-2.2 2,-0.1 3,-0.3 0.660 110.9 50.0 -72.4 -18.2 13.5 50.2 95.2 184 195 A S T >< + 0 0 1 -4,-1.6 3,-1.2 -3,-0.3 194,-0.4 0.097 69.0 124.4-105.0 20.9 12.9 53.6 93.7 185 196 A S T < S+ 0 0 5 -3,-1.3 195,-1.9 1,-0.3 194,-0.4 0.773 91.9 19.8 -55.1 -27.2 14.3 52.8 90.2 186 197 A Y T 3 S+ 0 0 130 -22,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.228 94.0 132.6-127.6 17.9 11.0 53.9 88.7 187 198 A A < - 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0 0 6 -3,-1.1 -147,-0.1 -4,-1.0 -29,-0.0 -0.420 48.3-170.0 -69.8 133.3 18.5 71.2 74.5 402 211 B T > - 0 0 55 -2,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.770 39.4-107.3-123.6 165.9 21.6 73.4 74.0 403 212 B P H > S+ 0 0 40 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.854 120.7 56.8 -58.6 -33.7 25.0 73.9 75.5 404 213 B K H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.918 103.9 52.3 -66.6 -38.3 23.7 77.2 76.9 405 214 B D H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 111.1 47.2 -60.5 -38.7 20.9 75.4 78.7 406 215 B L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.888 107.7 56.2 -70.9 -36.1 23.5 73.1 80.2 407 216 B E H X S+ 0 0 79 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.915 106.7 50.2 -59.3 -41.2 25.6 76.1 81.2 408 217 B N H X S+ 0 0 79 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.905 111.2 49.1 -63.2 -41.6 22.6 77.5 83.1 409 218 B I H X S+ 0 0 18 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.915 110.7 49.6 -64.4 -42.9 22.2 74.1 84.9 410 219 B I H X S+ 0 0 17 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.901 107.1 52.8 -68.5 -37.1 25.8 73.9 85.8 411 220 B S H X S+ 0 0 56 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.922 111.4 50.0 -61.5 -38.4 25.8 77.4 87.2 412 221 B D H X S+ 0 0 79 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.875 106.0 55.3 -63.9 -37.9 22.8 76.2 89.3 413 222 B F H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.955 108.7 46.5 -59.4 -53.0 24.7 73.2 90.4 414 223 B Y H X S+ 0 0 100 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.867 110.4 54.2 -60.7 -32.8 27.6 75.3 91.8 415 224 B K H X S+ 0 0 99 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.893 107.1 50.3 -70.0 -36.9 25.1 77.5 93.5 416 225 B R H X S+ 0 0 45 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.931 108.1 53.7 -63.5 -41.2 23.5 74.5 95.2 417 226 B V H X S+ 0 0 36 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.865 109.6 47.4 -61.7 -34.0 26.9 73.5 96.4 418 227 B R H < S+ 0 0 156 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.863 110.3 54.7 -72.3 -37.9 27.5 76.9 97.9 419 228 B K H >< S+ 0 0 136 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.840 100.6 54.4 -70.0 -34.3 24.1 76.9 99.6 420 229 B F H 3< S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.6 46.5 -69.3 -33.7 24.4 73.6 101.5 421 230 B G T 3< 0 0 64 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.542 360.0 360.0 -79.6 -6.6 27.7 74.8 103.1 422 231 B E < 0 0 165 -3,-0.7 -3,-0.0 -4,-0.4 0, 0.0 -0.451 360.0 360.0 -98.5 360.0 26.0 78.1 103.9