==== 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 LIGASE 05-OCT-04 1XNH . COMPND 2 MOLECULE: NH(3)-DEPENDENT NAD(+) SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR G.B.KANG,Y.S.KIM,Y.J.IM,S.H.RHO,J.H.LEE,S.H.EOM . 251 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.6 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 . 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.2 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 1 1 0 0 0 2 0 0 0 4 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 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 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 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 5 A Y > 0 0 107 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -21.9 57.5 31.7 10.9 2 6 A Q H > + 0 0 113 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.874 360.0 48.6 -61.6 -33.6 60.9 31.5 12.6 3 7 A K H > S+ 0 0 181 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.814 107.6 56.8 -73.9 -30.8 59.8 34.4 14.8 4 8 A L H >> S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 3,-0.7 0.943 103.3 52.0 -65.2 -49.8 56.5 32.6 15.4 5 9 A I H 3X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.3 5,-0.2 0.951 106.2 53.6 -52.2 -56.6 58.2 29.5 16.8 6 10 A V H 3X S+ 0 0 88 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.808 109.8 51.6 -46.9 -34.0 60.2 31.6 19.2 7 11 A Y H <>S+ 0 0 0 -4,-1.9 3,-1.2 -5,-0.2 5,-1.1 0.917 115.2 52.7 -61.8 -38.1 53.5 26.0 32.6 17 21 A Q H ><5S+ 0 0 123 -4,-1.2 3,-1.4 -5,-0.4 -1,-0.2 0.873 100.5 57.4 -66.7 -40.8 55.8 27.8 34.9 18 22 A K T 3<5S+ 0 0 135 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.415 105.7 54.2 -73.8 4.7 53.3 30.3 36.4 19 23 A R T < 5S- 0 0 103 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.468 122.3 -99.9-113.7 -7.9 51.2 27.3 37.5 20 24 A G T < 5S+ 0 0 63 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.859 79.8 117.5 92.9 42.4 53.9 25.5 39.4 21 25 A F < - 0 0 64 -5,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 -0.895 40.5-177.9-137.3 165.5 55.0 22.8 37.0 22 26 A K S S+ 0 0 149 100,-0.5 2,-0.3 -2,-0.3 101,-0.1 0.236 73.9 64.2-140.9 -1.0 58.1 21.8 35.0 23 27 A K - 0 0 74 99,-0.5 101,-1.6 -7,-0.1 2,-0.3 -0.940 58.4-171.1-128.9 151.0 56.6 18.8 33.1 24 28 A V E -ab 49 124A 0 24,-1.9 26,-3.4 -2,-0.3 2,-0.3 -0.975 4.0-164.1-140.6 154.4 53.9 18.6 30.5 25 29 A V E +ab 50 125A 0 99,-2.3 101,-1.6 -2,-0.3 2,-0.3 -0.959 11.0 171.2-137.5 153.0 51.9 15.9 28.7 26 30 A Y E -a 51 0A 0 24,-1.3 26,-2.4 -2,-0.3 2,-0.2 -0.976 38.0 -95.5-157.7 159.3 49.8 15.8 25.5 27 31 A G E -a 52 0A 17 99,-0.3 2,-0.3 -2,-0.3 26,-0.2 -0.523 29.7-160.9 -77.9 143.9 48.0 13.3 23.3 28 32 A L + 0 0 3 24,-1.9 39,-0.1 -2,-0.2 -1,-0.1 -0.695 20.4 165.7-132.4 81.2 50.0 12.3 20.2 29 33 A S - 0 0 75 -2,-0.3 38,-0.2 24,-0.1 -1,-0.1 0.615 60.5-106.5 -69.2 -14.6 47.7 10.8 17.6 30 34 A G S S+ 0 0 1 1,-0.3 2,-0.2 36,-0.1 36,-0.1 0.761 79.0 125.6 91.2 28.7 50.3 11.1 14.9 31 35 A G S > S- 0 0 17 1,-0.1 4,-2.0 149,-0.0 -1,-0.3 -0.585 75.7 -97.5-112.7 176.4 48.7 14.0 13.1 32 36 A L H > S+ 0 0 17 141,-0.3 4,-2.5 -2,-0.2 5,-0.1 0.965 119.8 43.5 -57.4 -57.6 49.9 17.4 12.0 33 37 A D H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.953 115.4 45.6 -52.1 -64.0 48.5 19.3 15.0 34 38 A S H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 115.2 50.3 -51.9 -37.3 49.5 16.8 17.8 35 39 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.872 106.6 53.5 -70.9 -40.1 53.0 16.6 16.2 36 40 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.965 110.6 45.8 -59.6 -54.8 53.6 20.3 16.0 37 41 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-0.4 0.959 110.2 55.0 -53.3 -54.3 52.8 20.9 19.7 38 42 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.857 106.5 49.4 -48.5 -45.4 55.0 18.0 20.7 39 43 A V H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.896 112.1 49.2 -63.0 -41.0 58.1 19.3 18.9 40 44 A L H >X S+ 0 0 0 -4,-1.8 4,-1.4 -3,-0.4 3,-0.5 0.975 111.5 47.5 -61.4 -56.1 57.6 22.8 20.6 41 45 A C H 3X>S+ 0 0 0 -4,-2.6 4,-3.7 1,-0.3 5,-0.6 0.852 110.8 53.4 -55.3 -35.4 57.2 21.3 24.1 42 46 A Q H 3X5S+ 0 0 35 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.3 0.893 103.8 56.4 -67.8 -36.5 60.3 19.1 23.4 43 47 A K H <<5S+ 0 0 94 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.825 120.6 29.7 -64.4 -29.2 62.2 22.3 22.5 44 48 A V H <5S+ 0 0 37 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.833 135.3 22.7-100.0 -39.6 61.4 23.8 25.8 45 49 A F H ><5S- 0 0 17 -4,-3.7 3,-3.1 1,-0.2 2,-0.2 0.546 76.4-173.1-107.8 -8.4 61.0 20.8 28.3 46 50 A K G ><> - 0 0 43 1,-0.1 3,-1.5 123,-0.1 4,-1.3 -0.822 15.1-145.4 -96.0 116.5 44.9 3.2 12.1 61 65 A P H 3> S+ 0 0 103 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.680 99.2 64.5 -52.2 -16.7 48.1 1.2 13.0 62 66 A E H 3> S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.883 98.5 50.4 -76.0 -39.0 49.8 3.4 10.4 63 67 A N H <> S+ 0 0 32 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.880 106.4 55.3 -64.6 -40.9 49.2 6.6 12.4 64 68 A K H X S+ 0 0 76 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.880 107.4 51.3 -60.9 -37.0 50.6 5.0 15.6 65 69 A T H X S+ 0 0 69 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.927 107.4 51.0 -66.4 -45.6 53.8 4.3 13.6 66 70 A D H X S+ 0 0 23 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.908 111.9 48.1 -58.7 -40.4 54.1 7.9 12.4 67 71 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.890 110.9 51.9 -66.9 -36.3 53.8 9.0 16.0 68 72 A L H X S+ 0 0 42 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.860 112.4 45.0 -68.1 -34.1 56.4 6.4 16.9 69 73 A N H X S+ 0 0 96 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.925 109.7 55.6 -72.6 -45.6 58.7 7.7 14.3 70 74 A L H >X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 3,-0.5 0.954 109.8 45.8 -49.6 -58.0 58.1 11.3 15.3 71 75 A C H 3X>S+ 0 0 1 -4,-2.3 5,-1.6 1,-0.3 4,-1.1 0.923 109.8 53.2 -51.1 -53.9 59.1 10.7 18.9 72 76 A E H 3<5S+ 0 0 159 -4,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.821 107.9 54.0 -52.4 -35.6 62.2 8.7 17.9 73 77 A K H <<5S+ 0 0 123 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.857 119.4 29.4 -70.9 -38.7 63.3 11.7 15.8 74 78 A F H <5S- 0 0 29 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.285 109.2-113.7-106.0 11.7 63.0 14.3 18.5 75 79 A S T <5 + 0 0 93 -4,-1.1 -3,-0.2 -3,-0.2 -4,-0.1 0.976 53.0 170.6 55.8 59.6 63.8 12.1 21.4 76 80 A I < - 0 0 6 -5,-1.6 -1,-0.2 -6,-0.1 -29,-0.1 -0.911 29.6-135.2-107.1 113.0 60.4 12.4 23.0 77 81 A P + 0 0 40 0, 0.0 -26,-1.9 0, 0.0 2,-0.3 -0.285 36.0 174.6 -59.7 148.3 59.6 10.1 25.9 78 82 A Y E -c 51 0A 101 -28,-0.2 2,-0.4 -26,-0.0 -26,-0.2 -0.981 31.3-136.7-155.3 167.8 56.2 8.5 25.6 79 83 A T E -c 52 0A 56 -28,-1.8 -26,-1.7 -2,-0.3 2,-0.6 -0.996 16.1-146.6-131.6 130.3 53.6 6.0 27.0 80 84 A E E +c 53 0A 94 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.846 28.5 159.2 -98.4 116.7 51.5 3.7 24.9 81 85 A Y - 0 0 99 -28,-2.1 2,-0.3 -2,-0.6 -2,-0.1 -0.909 26.8-147.8-143.1 112.2 48.0 3.0 26.3 82 86 A S - 0 0 51 -2,-0.4 -26,-0.2 -28,-0.2 -28,-0.1 -0.566 6.6-160.4 -79.9 136.7 45.2 1.7 24.2 83 87 A I >> + 0 0 0 -28,-2.2 3,-2.3 -2,-0.3 4,-1.5 0.446 63.2 110.8 -94.0 1.0 41.6 2.8 25.0 84 88 A A H 3> + 0 0 20 -29,-0.7 4,-1.9 1,-0.3 3,-0.5 0.863 69.6 54.0 -39.7 -63.5 40.3 -0.2 23.0 85 89 A P H 3> S+ 0 0 79 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.646 109.6 52.3 -53.0 -15.3 38.9 -2.2 26.0 86 90 A Y H <> S+ 0 0 93 -3,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.875 109.6 43.8 -87.4 -43.1 36.9 0.8 27.1 87 91 A D H X S+ 0 0 13 -4,-1.5 4,-2.2 -3,-0.5 -3,-0.1 0.714 107.9 64.1 -74.1 -16.7 35.2 1.5 23.8 88 92 A A H X S+ 0 0 48 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.959 105.0 43.1 -66.8 -50.5 34.6 -2.2 23.6 89 93 A I H X S+ 0 0 97 -4,-0.9 4,-2.2 1,-0.2 5,-0.3 0.925 110.8 55.7 -59.9 -46.5 32.4 -2.0 26.7 90 94 A F H X S+ 0 0 26 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.914 110.2 47.6 -52.6 -43.9 30.8 1.1 25.3 91 95 A S H < S+ 0 0 34 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.952 106.0 53.5 -64.4 -52.8 29.9 -0.8 22.3 92 96 A S H < S+ 0 0 75 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.900 118.3 39.3 -49.3 -43.4 28.5 -4.0 23.9 93 97 A H H < S+ 0 0 143 -4,-2.2 2,-0.4 1,-0.3 -1,-0.3 0.805 126.7 37.5 -77.3 -30.0 26.2 -1.6 25.9 94 98 A F < + 0 0 97 -4,-2.1 3,-0.4 -5,-0.3 -1,-0.3 -0.799 58.9 153.7-126.4 88.7 25.6 0.6 22.8 95 99 A K S S+ 0 0 171 -2,-0.4 -1,-0.1 -3,-0.3 -3,-0.1 0.720 80.1 52.6 -85.0 -22.5 25.3 -1.3 19.6 96 100 A D S S+ 0 0 161 -5,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.270 80.3 134.7 -95.2 11.8 23.2 1.3 17.9 97 101 A A - 0 0 13 -3,-0.4 -3,-0.0 -6,-0.2 5,-0.0 -0.436 53.9-127.4 -66.0 125.8 25.7 4.0 18.8 98 102 A S > - 0 0 59 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.111 24.1-102.4 -68.1 170.1 26.4 6.4 15.9 99 103 A L H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.979 121.9 47.6 -57.6 -59.7 29.8 7.2 14.6 100 104 A T H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.837 108.1 56.8 -51.3 -39.4 30.0 10.6 16.3 101 105 A R H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 110.5 42.9 -60.1 -46.6 28.8 9.1 19.6 102 106 A K H X S+ 0 0 59 -4,-1.9 4,-2.1 -3,-0.5 -1,-0.2 0.827 114.3 52.9 -66.7 -34.9 31.7 6.6 19.6 103 107 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.912 108.8 47.7 -67.9 -44.2 34.1 9.3 18.5 104 108 A N H X S+ 0 0 49 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.942 112.2 50.4 -63.3 -46.4 33.0 11.7 21.3 105 109 A F H X S+ 0 0 69 -4,-2.1 4,-1.2 -5,-0.2 3,-0.5 0.925 110.0 48.5 -56.4 -50.4 33.4 9.0 24.0 106 110 A C H X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.888 109.7 52.4 -61.1 -39.1 36.8 7.9 22.9 107 111 A A H X S+ 0 0 8 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.775 108.4 51.8 -68.0 -26.8 38.1 11.6 22.8 108 112 A R H X S+ 0 0 94 -4,-1.5 4,-1.4 -3,-0.5 -1,-0.2 0.731 107.4 53.0 -79.2 -25.6 36.8 12.0 26.4 109 113 A L H X S+ 0 0 18 -4,-1.2 4,-2.0 -3,-0.3 5,-0.2 0.923 106.0 52.0 -70.7 -49.0 38.7 8.8 27.4 110 114 A R H X S+ 0 0 56 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.755 109.9 51.7 -58.0 -27.8 42.0 10.2 26.0 111 115 A M H X S+ 0 0 49 -4,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.870 105.1 54.0 -77.7 -40.1 41.2 13.3 28.1 112 116 A A H X S+ 0 0 47 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.893 111.9 45.0 -61.8 -41.3 40.7 11.2 31.3 113 117 A F H X S+ 0 0 37 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.721 109.0 54.5 -77.4 -24.4 44.1 9.6 30.9 114 118 A L H X S+ 0 0 19 -4,-0.9 4,-1.9 -5,-0.2 -2,-0.2 0.904 115.8 40.2 -74.6 -40.2 46.0 12.8 30.0 115 119 A Y H X S+ 0 0 95 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.811 115.4 49.9 -77.7 -27.6 44.7 14.3 33.2 116 120 A D H X S+ 0 0 87 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.847 112.7 50.3 -72.3 -36.6 45.2 11.1 35.3 117 121 A Y H X S+ 0 0 32 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.895 109.5 49.6 -69.2 -38.5 48.7 11.0 33.8 118 122 A S H X>S+ 0 0 11 -4,-1.9 5,-1.9 1,-0.2 4,-0.9 0.806 106.8 57.3 -68.6 -32.3 49.3 14.7 34.8 119 123 A L H <5S+ 0 0 134 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.929 111.8 38.7 -64.9 -47.0 48.1 14.0 38.4 120 124 A K H <5S+ 0 0 137 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.488 125.5 36.6 -83.5 -7.5 50.6 11.2 39.1 121 125 A S H <5S- 0 0 20 -4,-0.8 -1,-0.2 -3,-0.1 -2,-0.2 0.344 107.6-116.6-124.0 -0.2 53.6 12.8 37.4 122 126 A D T <5 + 0 0 109 -4,-0.9 -100,-0.5 1,-0.2 -99,-0.5 0.976 64.3 141.7 61.3 61.1 52.9 16.4 38.2 123 127 A S < - 0 0 6 -5,-1.9 2,-0.4 -8,-0.1 -99,-0.3 -0.828 48.7-123.2-128.7 165.1 52.3 17.7 34.7 124 128 A L E -b 24 0A 18 -101,-1.6 -99,-2.3 -2,-0.3 2,-0.3 -0.904 26.1-123.1-110.3 142.1 50.1 20.1 32.8 125 129 A V E -b 25 0A 3 -2,-0.4 23,-1.8 -101,-0.2 24,-1.4 -0.644 23.2-158.9 -81.2 135.8 48.0 19.1 29.9 126 130 A I B -d 149 0B 3 -101,-1.6 -99,-0.3 -2,-0.3 24,-0.2 -0.968 10.9-137.6-118.5 124.5 48.6 21.0 26.6 127 131 A G - 0 0 6 22,-3.2 25,-0.3 -2,-0.5 18,-0.1 -0.319 11.2-163.1 -78.1 167.1 46.0 21.1 23.9 128 132 A T + 0 0 23 16,-0.6 2,-0.4 22,-0.1 -91,-0.1 0.167 42.2 130.4-133.1 13.5 46.6 20.8 20.2 129 133 A S - 0 0 2 15,-0.3 23,-0.1 -96,-0.1 2,-0.1 -0.593 49.7-137.9 -75.7 125.7 43.3 22.1 18.7 130 134 A N > - 0 0 0 -2,-0.4 4,-1.9 24,-0.1 3,-0.4 -0.421 21.2-108.2 -82.0 158.9 44.0 24.7 15.9 131 135 A K H > S+ 0 0 12 24,-1.7 4,-3.1 21,-0.9 5,-0.2 0.888 118.2 54.1 -49.8 -50.5 42.1 28.0 15.4 132 136 A S H > S+ 0 0 0 23,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.886 110.6 48.7 -53.0 -42.9 40.2 26.8 12.3 133 137 A E H >>S+ 0 0 19 -3,-0.4 5,-1.4 2,-0.2 4,-0.5 0.850 111.4 48.8 -66.5 -36.1 39.1 23.8 14.3 134 138 A R H ><5S+ 0 0 67 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.932 113.5 45.5 -71.2 -44.6 37.9 25.9 17.2 135 139 A M H 3<5S+ 0 0 24 -4,-3.1 105,-0.2 1,-0.2 -2,-0.2 0.918 112.2 51.2 -64.0 -43.4 36.0 28.3 15.0 136 140 A L H 3<5S- 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.584 106.6-128.0 -69.4 -13.1 34.4 25.5 12.9 137 141 A G T <<5 + 0 0 4 -3,-0.6 2,-1.4 -4,-0.5 -3,-0.2 0.708 62.0 142.2 71.8 18.4 33.3 23.8 16.1 138 142 A Y < + 0 0 30 -5,-1.4 2,-0.3 -6,-0.2 -1,-0.2 -0.480 41.5 87.3 -92.8 67.2 34.8 20.6 14.9 139 143 A G S S- 0 0 13 -2,-1.4 2,-0.6 -5,-0.1 -35,-0.0 -0.984 79.7-102.8-159.6 152.0 36.2 19.4 18.3 140 144 A T > > - 0 0 11 -2,-0.3 3,-2.0 -37,-0.1 5,-1.6 -0.706 34.2-130.2 -86.5 120.1 35.0 17.4 21.3 141 145 A L T 3 5S+ 0 0 38 -2,-0.6 103,-0.1 1,-0.3 3,-0.1 -0.437 96.0 6.4 -66.8 134.9 34.1 19.5 24.3 142 146 A F T 3 5S+ 0 0 133 101,-0.2 -1,-0.3 1,-0.1 -31,-0.1 0.729 128.9 75.4 60.4 21.9 35.8 18.2 27.4 143 147 A G T X 5S- 0 0 5 -3,-2.0 3,-0.6 -32,-0.1 -2,-0.2 0.369 114.5 -10.9-120.5-102.7 37.6 15.9 25.0 144 148 A D T 3 5S+ 0 0 63 -4,-0.3 -16,-0.6 1,-0.2 -15,-0.3 0.508 136.6 56.7 -84.2 -4.9 40.4 17.0 22.7 145 149 A L T 3 S+ 0 0 0 -25,-0.3 3,-1.3 -23,-0.1 -21,-0.9 0.143 77.7 108.5-124.6 21.2 48.5 26.9 18.5 153 157 A G T 3 S+ 0 0 8 -3,-0.4 -19,-0.2 1,-0.3 -1,-0.1 0.651 82.4 51.6 -71.8 -14.1 44.8 27.6 19.1 154 158 A E T 3 S+ 0 0 132 -4,-0.1 2,-0.5 -3,-0.1 -1,-0.3 -0.017 93.9 91.4-109.3 28.4 45.1 31.1 17.6 155 159 A L S < S- 0 0 16 -3,-1.3 -24,-1.7 3,-0.0 -23,-0.5 -0.986 76.5-128.2-124.1 120.4 46.7 29.6 14.4 156 160 A F > - 0 0 19 -2,-0.5 4,-2.3 -25,-0.2 3,-0.4 -0.292 31.4-105.0 -64.5 153.2 44.6 28.6 11.4 157 161 A K H > S+ 0 0 25 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.840 123.7 53.1 -45.1 -38.3 45.0 25.1 10.0 158 162 A T H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.933 109.9 44.7 -66.5 -46.1 46.9 26.8 7.1 159 163 A E H > S+ 0 0 56 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.780 114.0 55.0 -68.3 -24.0 49.3 28.7 9.4 160 164 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.973 105.6 47.1 -71.6 -58.2 49.6 25.4 11.3 161 165 A Y H X S+ 0 0 94 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.863 114.8 48.1 -53.5 -38.4 50.7 23.1 8.5 162 166 A E H X S+ 0 0 54 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.878 106.8 55.8 -72.6 -36.3 53.2 25.7 7.3 163 167 A L H X S+ 0 0 0 -4,-1.5 4,-0.6 1,-0.2 -2,-0.2 0.886 102.6 57.8 -61.3 -39.6 54.7 26.2 10.8 164 168 A A H ><>S+ 0 0 0 -4,-2.1 5,-1.3 1,-0.2 3,-1.3 0.886 98.6 59.6 -58.8 -39.8 55.3 22.5 11.0 165 169 A R H ><5S+ 0 0 110 -4,-1.1 3,-1.9 1,-0.3 -1,-0.2 0.935 105.2 47.3 -55.8 -48.0 57.4 22.7 7.8 166 170 A R H 3<5S+ 0 0 112 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.615 108.3 58.5 -69.9 -8.8 59.8 25.1 9.5 167 171 A L T <<5S- 0 0 10 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.479 113.0-122.9 -94.7 -5.9 59.7 22.7 12.4 168 172 A N T < 5 - 0 0 111 -3,-1.9 -3,-0.2 -4,-0.5 -2,-0.1 0.919 41.9-178.3 64.1 46.8 61.0 19.9 10.1 169 173 A I < - 0 0 6 -5,-1.3 5,-0.2 1,-0.1 -1,-0.2 -0.592 42.3 -87.2 -78.2 134.4 58.1 17.6 10.8 170 174 A P >> - 0 0 39 0, 0.0 3,-2.3 0, 0.0 4,-1.1 -0.122 36.1-128.2 -41.9 128.7 58.3 14.2 9.0 171 175 A K H 3> S+ 0 0 167 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.715 105.7 70.2 -56.9 -21.8 56.8 14.8 5.5 172 176 A K H 34 S+ 0 0 117 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.799 99.7 48.6 -66.9 -25.8 54.5 11.8 6.1 173 177 A I H <4 S+ 0 0 1 -3,-2.3 -141,-0.3 2,-0.1 -1,-0.2 0.876 113.0 47.7 -77.9 -40.4 52.7 13.9 8.7 174 178 A L H < S+ 0 0 17 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.993 110.8 46.2 -63.1 -66.9 52.4 16.9 6.3 175 179 A N S < S+ 0 0 135 -4,-2.2 -1,-0.2 2,-0.1 -3,-0.1 0.709 89.4 112.6 -51.1 -21.5 51.1 15.1 3.1 176 180 A K S S- 0 0 37 -4,-0.4 -144,-0.1 -5,-0.3 3,-0.1 -0.369 76.3-118.9 -59.4 121.7 48.7 13.3 5.4 177 181 A P - 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.369 37.8 -88.2 -65.9 138.1 45.1 14.5 4.6 178 182 A P + 0 0 38 0, 0.0 10,-1.4 0, 0.0 11,-0.5 -0.120 62.4 148.8 -47.2 133.2 43.2 16.3 7.4 179 183 A S - 0 0 41 8,-0.3 8,-0.1 9,-0.1 7,-0.1 -0.663 42.1-153.7-174.1 111.8 41.2 13.9 9.6 180 184 A A - 0 0 41 -2,-0.2 7,-0.1 -149,-0.0 -149,-0.0 0.615 45.9-133.0 -64.2 -12.4 40.3 14.2 13.3 181 185 A D + 0 0 47 1,-0.1 3,-0.1 5,-0.0 -122,-0.1 0.900 52.7 146.4 57.0 106.0 40.2 10.4 13.3 182 186 A L S S- 0 0 32 1,-0.2 2,-0.2 -124,-0.1 -76,-0.1 0.359 72.8 -30.9-141.6 -14.0 37.1 9.0 15.1 183 187 A F S S- 0 0 42 -125,-0.1 3,-0.4 -80,-0.0 2,-0.2 -0.781 97.4 -18.3-173.0-141.6 36.4 5.9 13.0 184 188 A V S S- 0 0 121 -2,-0.2 -125,-0.1 1,-0.2 -2,-0.0 -0.613 114.1 -7.4 -93.4 149.9 36.9 4.6 9.4 185 189 A G S S+ 0 0 59 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.622 88.9 152.5 45.4 20.6 37.5 6.6 6.3 186 190 A Q + 0 0 27 -3,-0.4 2,-0.3 -7,-0.1 -1,-0.2 -0.454 11.7 158.8 -80.6 154.1 36.9 9.9 8.1 187 191 A S >> - 0 0 17 -2,-0.1 4,-1.6 1,-0.1 3,-0.9 -0.946 46.3-122.8-167.7 152.1 38.5 13.2 7.0 188 192 A D H 3>>S+ 0 0 4 -10,-1.4 4,-1.9 -2,-0.3 5,-0.6 0.930 112.7 56.0 -68.4 -46.6 37.8 16.9 7.5 189 193 A E H 345S+ 0 0 105 -11,-0.5 -1,-0.2 1,-0.2 -10,-0.1 0.390 110.6 51.1 -67.7 6.0 37.5 17.6 3.8 190 194 A K H <45S+ 0 0 146 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.759 114.2 34.1-109.9 -45.2 34.8 14.9 3.8 191 195 A D H <5S+ 0 0 67 -4,-1.6 -2,-0.2 1,-0.1 -3,-0.1 0.595 127.6 41.4 -88.0 -11.4 32.4 15.9 6.5 192 196 A L T <5S- 0 0 17 -4,-1.9 -3,-0.2 -5,-0.2 -1,-0.1 0.776 98.9-139.1 -99.9 -40.2 33.0 19.6 5.9 193 197 A G < + 0 0 47 -5,-0.6 -4,-0.1 1,-0.2 -3,-0.1 0.307 69.2 68.5 98.9 -8.5 32.9 19.3 2.1 194 198 A Y S S- 0 0 59 -6,-0.3 -1,-0.2 35,-0.0 -2,-0.1 -0.976 77.6-108.9-143.7 155.8 35.8 21.8 1.4 195 199 A P >> - 0 0 37 0, 0.0 3,-2.0 0, 0.0 4,-2.0 -0.383 35.8-108.5 -78.6 161.5 39.6 22.0 1.8 196 200 A Y H 3> S+ 0 0 22 1,-0.3 4,-1.6 2,-0.2 -38,-0.2 0.596 117.1 67.3 -67.4 -11.3 41.3 24.4 4.2 197 201 A S H 34 S+ 0 0 93 2,-0.2 -1,-0.3 3,-0.1 0, 0.0 0.593 110.7 37.9 -82.7 -9.9 42.5 26.6 1.4 198 202 A V H <> S+ 0 0 54 -3,-2.0 4,-0.6 2,-0.1 -2,-0.2 0.773 121.3 42.5-103.3 -41.9 38.8 27.3 1.0 199 203 A I H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.1 3,-0.5 0.947 109.9 53.6 -71.9 -52.6 37.7 27.4 4.6 200 204 A D H X S+ 0 0 1 -4,-1.6 4,-1.8 1,-0.2 3,-0.5 0.903 99.3 57.8 -53.2 -54.0 40.6 29.4 6.1 201 205 A P H > S+ 0 0 43 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.870 109.2 47.5 -48.4 -40.8 40.6 32.5 3.9 202 206 A L H X S+ 0 0 0 -4,-0.6 4,-2.4 -3,-0.5 3,-0.3 0.847 107.0 56.8 -69.6 -34.6 37.0 33.3 4.9 203 207 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.5 -1,-0.2 0.838 101.0 58.5 -66.9 -30.0 37.7 32.7 8.6 204 208 A K H < S+ 0 0 98 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.3 40.6 -67.7 -31.8 40.4 35.4 8.4 205 209 A D H >X S+ 0 0 49 -4,-0.8 4,-1.8 -3,-0.3 3,-0.9 0.815 111.7 55.1 -85.2 -32.5 37.8 37.9 7.2 206 210 A I H 3X S+ 0 0 7 -4,-2.4 4,-0.6 1,-0.3 2,-0.6 0.876 109.4 49.1 -65.5 -37.8 35.1 36.7 9.6 207 211 A E H 3< S+ 0 0 75 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.370 116.3 43.6 -96.5 50.7 37.6 37.3 12.4 208 212 A A H <4 S+ 0 0 69 -3,-0.9 -2,-0.2 -2,-0.6 -1,-0.2 0.289 121.1 30.2-159.7 -31.0 38.4 40.8 11.1 209 213 A L H < S+ 0 0 85 -4,-1.8 2,-1.4 1,-0.1 3,-0.3 0.827 120.1 43.6-103.4 -60.0 35.0 42.3 10.2 210 214 A F < + 0 0 25 -4,-0.6 -1,-0.1 -5,-0.4 5,-0.1 -0.372 67.6 154.4 -89.6 59.7 32.4 40.8 12.6 211 215 A Q S S- 0 0 129 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.932 86.2 -14.1 -49.4 -57.4 34.6 41.1 15.7 212 216 A T S S+ 0 0 131 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.511 119.5 88.3-126.8 -12.3 31.6 41.1 18.1 213 217 A K S S- 0 0 149 -4,-0.2 -4,-0.0 1,-0.1 0, 0.0 -0.638 88.5 -82.8 -92.7 149.4 28.6 41.8 15.8 214 218 A P - 0 0 111 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.003 50.1-101.7 -46.8 148.1 26.6 39.1 14.1 215 219 A I - 0 0 33 19,-0.1 2,-0.5 -3,-0.1 3,-0.1 -0.522 30.0-153.9 -75.5 140.8 27.8 37.7 10.8 216 220 A D > - 0 0 77 -2,-0.2 4,-0.5 1,-0.1 -1,-0.0 -0.933 8.5-161.6-121.7 107.4 26.2 38.9 7.6 217 221 A T H >> S+ 0 0 55 -2,-0.5 4,-1.7 1,-0.2 3,-0.6 0.812 91.0 58.4 -54.4 -33.1 26.2 36.6 4.6 218 222 A E H >> S+ 0 0 108 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.982 103.9 46.9 -62.9 -58.9 25.5 39.5 2.3 219 223 A T H 34 S+ 0 0 49 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.514 111.5 57.7 -63.1 -2.6 28.5 41.6 3.3 220 224 A L H XX S+ 0 0 0 -3,-0.6 4,-1.0 -4,-0.5 3,-0.7 0.821 97.7 54.5 -94.2 -41.5 30.5 38.4 2.8 221 225 A A H << S+ 0 0 35 -4,-1.7 4,-0.5 -3,-0.6 3,-0.3 0.829 101.4 63.6 -62.4 -29.2 29.7 37.6 -0.7 222 226 A Q T 3< S+ 0 0 147 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.866 97.4 53.9 -63.5 -36.5 30.8 41.1 -1.6 223 227 A L T <4 S- 0 0 92 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.810 133.6 -89.7 -67.3 -27.3 34.4 40.3 -0.5 224 228 A G S < S+ 0 0 54 -4,-1.0 2,-0.4 -3,-0.3 -3,-0.2 0.724 73.5 142.9 117.1 65.4 34.2 37.3 -2.9 225 229 A Y - 0 0 49 -4,-0.5 -1,-0.2 -5,-0.1 5,-0.1 -0.991 53.1-102.7-140.0 134.0 32.8 34.1 -1.3 226 230 A D > - 0 0 97 -2,-0.4 4,-1.2 1,-0.1 5,-0.1 -0.122 32.2-128.7 -45.4 140.4 30.6 31.3 -2.6 227 231 A E H >> S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 3,-0.6 0.964 105.8 41.8 -60.2 -57.5 27.0 31.6 -1.2 228 232 A I H 3> S+ 0 0 110 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.910 113.4 53.9 -57.8 -44.5 26.7 28.1 0.2 229 233 A L H 3> S+ 0 0 5 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.777 112.2 46.0 -61.8 -26.9 30.2 28.2 1.6 230 234 A V H X S+ 0 0 26 -4,-2.8 3,-2.0 1,-0.2 4,-1.1 0.974 113.8 40.6 -55.4 -65.6 30.3 28.9 13.8 238 242 A Q H 3< S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 111.3 61.1 -58.3 -24.0 27.3 30.2 15.6 239 243 A K H 3< S+ 0 0 155 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.664 117.2 27.4 -79.6 -13.1 26.2 26.6 16.2 240 244 A N H X< S+ 0 0 19 -3,-2.0 3,-2.6 -4,-0.7 4,-0.5 0.276 80.7 110.6-129.5 5.5 29.4 25.8 18.2 241 245 A A T 3< S+ 0 0 45 -4,-1.1 3,-0.4 1,-0.3 -3,-0.1 0.684 73.3 69.5 -57.3 -15.3 30.4 29.2 19.7 242 246 A F T > S+ 0 0 116 1,-0.2 3,-0.9 -4,-0.2 -1,-0.3 0.645 84.1 69.1 -77.7 -17.0 29.3 27.6 23.0 243 247 A K T < S+ 0 0 47 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 101.8 43.3 -71.7 -30.7 32.3 25.3 23.1 244 248 A L T 3 S+ 0 0 72 -4,-0.5 2,-0.4 -3,-0.4 -1,-0.2 0.127 102.6 86.2-101.8 19.2 34.9 28.0 23.6 245 249 A E S < S- 0 0 136 -3,-0.9 3,-0.1 1,-0.0 -3,-0.0 -0.918 84.6-106.2-121.1 146.0 32.8 29.8 26.2 246 250 A L - 0 0 162 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.277 53.0 -83.5 -64.0 156.5 32.7 29.2 29.9 247 251 A P - 0 0 96 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.200 48.5-100.9 -60.4 153.7 29.5 27.4 31.2 248 252 A A + 0 0 108 -3,-0.1 2,-0.4 2,-0.0 -3,-0.0 -0.651 45.6 178.2 -80.7 123.5 26.4 29.5 31.9 249 253 A I - 0 0 139 -2,-0.5 2,-0.2 -3,-0.1 -3,-0.0 -0.990 32.5-117.9-131.7 126.7 26.0 30.2 35.7 250 254 A A 0 0 97 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.443 360.0 360.0 -64.2 125.9 23.3 32.3 37.2 251 255 A K 0 0 152 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.036 360.0 360.0 -56.7 360.0 25.0 35.3 39.0