==== 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 UNKNOWN FUNCTION 06-FEB-09 3G6I . COMPND 2 MOLECULE: PUTATIVE OUTER MEMBRANE PROTEIN, PART OF CARBOHYD . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 82.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 0 0 0 1 1 0 0 1 0 0 2 0 0 1 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 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 20 A A 0 0 124 0, 0.0 2,-0.6 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 160.1 28.3 11.8 41.8 2 21 A V - 0 0 35 0, 0.0 2,-0.3 0, 0.0 39,-0.1 -0.914 360.0-141.8 -91.1 120.1 30.1 13.6 44.7 3 22 A D - 0 0 124 -2,-0.6 2,-0.4 38,-0.0 42,-0.1 -0.620 13.8-117.4 -80.4 145.0 33.7 14.0 43.8 4 23 A L - 0 0 27 -2,-0.3 2,-2.0 1,-0.1 3,-0.3 -0.692 21.0-134.3 -78.7 126.6 36.5 13.6 46.4 5 24 A N + 0 0 71 -2,-0.4 -1,-0.1 36,-0.3 -2,-0.0 -0.380 60.4 131.8 -84.3 62.7 38.4 16.9 46.9 6 25 A K > + 0 0 115 -2,-2.0 3,-1.6 2,-0.0 -1,-0.2 0.530 21.1 132.4 -95.3 -5.9 41.8 15.3 46.7 7 26 A E T 3 S+ 0 0 118 -3,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.158 80.7 0.1 -57.7 134.4 43.7 17.5 44.2 8 27 A N T 3 S+ 0 0 174 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.705 100.1 126.4 59.4 27.7 47.1 18.6 45.4 9 28 A R S < S- 0 0 59 -3,-1.6 -1,-0.2 1,-0.0 -3,-0.0 -0.844 73.0 -91.5-110.0 154.0 47.0 16.8 48.7 10 29 A D > - 0 0 95 -2,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.425 33.9-136.9 -59.7 127.2 49.5 14.4 50.1 11 30 A P H > S+ 0 0 99 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.814 103.5 55.1 -61.4 -32.8 48.4 10.9 49.0 12 31 A K H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.894 110.4 46.5 -66.1 -39.8 49.2 9.3 52.4 13 32 A Y H > S+ 0 0 63 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.943 112.0 50.8 -66.0 -46.0 46.9 12.0 54.0 14 33 A V H X S+ 0 0 15 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.939 110.6 49.4 -55.9 -49.2 44.1 11.4 51.4 15 34 A E H X S+ 0 0 118 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.881 108.2 52.9 -59.5 -42.4 44.3 7.7 52.0 16 35 A S H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.930 113.0 44.1 -61.4 -41.3 44.1 8.1 55.8 17 36 A I H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.918 112.6 51.7 -71.4 -42.1 40.9 10.3 55.4 18 37 A V H X S+ 0 0 39 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.941 112.1 45.8 -58.4 -47.9 39.3 7.9 52.8 19 38 A N H X S+ 0 0 70 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.929 113.5 49.8 -66.0 -40.0 39.8 4.9 55.1 20 39 A R H X S+ 0 0 111 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.935 113.9 45.4 -60.2 -45.6 38.5 6.8 58.2 21 40 A S H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.876 110.2 54.6 -65.6 -40.4 35.4 7.9 56.2 22 41 A Q H X S+ 0 0 70 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.891 104.5 54.3 -62.5 -40.0 34.8 4.4 54.8 23 42 A K H X S+ 0 0 143 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.896 108.4 49.1 -64.6 -37.8 34.8 2.9 58.3 24 43 A I H X S+ 0 0 16 -4,-1.4 4,-0.7 2,-0.2 3,-0.5 0.948 113.2 46.4 -63.7 -47.5 32.1 5.3 59.4 25 44 A V H >X>S+ 0 0 3 -4,-2.3 3,-1.3 1,-0.2 4,-0.6 0.907 104.8 61.2 -65.2 -40.1 30.0 4.5 56.3 26 45 A D H ><5S+ 0 0 103 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.862 98.0 58.7 -51.7 -37.1 30.5 0.7 56.7 27 46 A K H 3<5S+ 0 0 190 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.774 96.1 63.1 -67.7 -26.2 28.8 0.9 60.1 28 47 A L H <<5S- 0 0 33 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.733 93.2-146.1 -68.3 -20.5 25.6 2.3 58.4 29 48 A G T <<5 - 0 0 58 -3,-1.3 -3,-0.1 -4,-0.6 -2,-0.1 0.892 23.1-170.4 51.4 44.9 25.2 -0.9 56.4 30 49 A L < - 0 0 42 -5,-0.5 -1,-0.1 1,-0.1 -2,-0.0 -0.342 18.9-151.2 -64.5 141.9 23.8 0.9 53.4 31 50 A T S S+ 0 0 153 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 0.609 78.8 74.3 -91.8 -13.3 22.3 -1.4 50.7 32 51 A D > - 0 0 85 1,-0.2 4,-2.3 2,-0.0 5,-0.1 -0.891 65.5-162.6-104.0 110.1 23.0 0.9 47.7 33 52 A A H > S+ 0 0 75 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.839 88.1 52.4 -67.2 -29.5 26.8 0.8 47.0 34 53 A K H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 109.8 48.3 -71.1 -40.8 26.8 4.0 44.8 35 54 A V H > S+ 0 0 38 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.913 108.2 55.7 -60.3 -46.4 25.0 6.0 47.6 36 55 A A H X S+ 0 0 18 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 107.6 49.7 -56.4 -39.0 27.6 4.6 50.1 37 56 A E H X S+ 0 0 125 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.896 110.8 48.6 -65.2 -43.3 30.4 6.0 47.8 38 57 A D H X S+ 0 0 23 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.956 112.5 48.3 -61.2 -49.5 28.7 9.4 47.6 39 58 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.905 109.2 54.2 -56.3 -46.1 28.3 9.5 51.5 40 59 A C H X S+ 0 0 3 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.894 109.9 46.8 -54.0 -43.5 31.9 8.4 51.9 41 60 A N H X S+ 0 0 37 -4,-1.9 4,-2.6 2,-0.2 -36,-0.3 0.840 107.9 54.2 -71.8 -34.2 33.1 11.4 49.8 42 61 A V H X S+ 0 0 10 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.908 113.5 44.9 -62.0 -42.0 30.8 13.9 51.5 43 62 A I H >X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 3,-0.5 0.975 113.6 48.1 -67.5 -53.5 32.4 12.8 54.9 44 63 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.892 109.8 53.6 -51.2 -46.6 36.0 12.8 53.5 45 64 A N H 3X S+ 0 0 23 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.847 105.5 53.2 -60.8 -36.3 35.4 16.3 52.0 46 65 A R H < S+ 0 0 22 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.951 112.4 48.6 -58.5 -48.4 51.7 36.6 65.2 65 84 A K H 3< S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.840 114.6 46.0 -62.5 -34.4 53.9 34.6 67.7 66 85 A E H 3< S+ 0 0 143 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.572 101.5 86.2 -87.1 -4.3 56.9 35.2 65.6 67 86 A S S << S- 0 0 55 -3,-1.1 -3,-0.1 -4,-0.8 7,-0.0 -0.035 92.3-101.5 -81.8-172.7 56.2 38.9 65.0 68 87 A G S S+ 0 0 68 6,-0.0 6,-0.1 2,-0.0 -1,-0.1 0.783 78.7 120.5 -77.4 -28.0 57.1 42.0 67.2 69 88 A L + 0 0 87 1,-0.1 -2,-0.0 4,-0.1 3,-0.0 0.060 33.7 169.4 -47.7 145.3 53.7 42.4 68.7 70 89 A T + 0 0 123 4,-0.0 -1,-0.1 0, 0.0 5,-0.1 0.773 46.2 17.4-130.2 -53.6 53.8 42.1 72.5 71 90 A G S > S- 0 0 35 3,-0.1 4,-2.4 4,-0.0 5,-0.1 0.522 123.8 -21.7-100.0-118.2 50.9 42.9 74.8 72 91 A D H > S+ 0 0 130 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.752 134.0 64.8 -65.4 -26.3 47.2 43.3 74.0 73 92 A A H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.971 107.9 40.6 -57.1 -53.2 48.4 44.0 70.4 74 93 A K H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.952 117.9 45.9 -56.8 -56.0 49.6 40.4 70.4 75 94 A N H X S+ 0 0 89 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.813 111.8 50.3 -65.6 -34.3 46.7 38.9 72.2 76 95 A E H X S+ 0 0 84 -4,-2.6 4,-1.9 2,-0.2 -1,-0.3 0.835 109.3 52.6 -69.9 -35.6 44.1 40.7 70.2 77 96 A A H X S+ 0 0 28 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.896 110.7 48.1 -64.8 -39.2 45.8 39.5 67.0 78 97 A L H X S+ 0 0 27 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.941 110.7 50.0 -67.0 -47.0 45.6 35.9 68.3 79 98 A K H X S+ 0 0 131 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.851 107.7 55.2 -59.6 -35.3 41.9 36.3 69.2 80 99 A A H X S+ 0 0 53 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.891 105.9 50.9 -67.2 -40.4 41.3 37.7 65.7 81 100 A A H X S+ 0 0 5 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.907 111.6 48.1 -59.2 -44.1 42.8 34.5 64.1 82 101 A E H X S+ 0 0 57 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.874 110.6 51.1 -64.9 -37.8 40.6 32.3 66.3 83 102 A N H X S+ 0 0 82 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.903 108.3 52.0 -66.3 -42.3 37.5 34.4 65.3 84 103 A E H X S+ 0 0 82 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.900 110.8 49.0 -58.8 -41.8 38.3 34.0 61.6 85 104 A K H X S+ 0 0 33 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.933 111.5 47.5 -63.5 -47.7 38.5 30.2 62.2 86 105 A D H X S+ 0 0 76 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.855 108.9 55.0 -64.4 -35.5 35.2 30.1 64.1 87 106 A A H X S+ 0 0 53 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.878 107.9 49.4 -65.5 -39.6 33.6 32.2 61.3 88 107 A A H X S+ 0 0 37 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.861 111.4 49.2 -64.7 -40.2 34.7 29.6 58.7 89 108 A L H X S+ 0 0 15 -4,-2.0 4,-1.2 2,-0.2 3,-0.4 0.958 112.9 48.0 -60.6 -48.4 33.3 26.8 60.9 90 109 A Y H >X S+ 0 0 167 -4,-2.7 3,-0.8 1,-0.2 4,-0.6 0.933 110.2 50.8 -56.7 -50.5 30.0 28.7 61.1 91 110 A R H 3< S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.782 121.1 33.5 -64.2 -27.5 29.8 29.4 57.4 92 111 A S H 3X S+ 0 0 10 -4,-1.3 4,-0.7 -3,-0.4 -1,-0.2 0.442 95.2 89.0-106.0 -2.8 30.4 25.7 56.4 93 112 A H H X< S+ 0 0 21 -4,-1.2 3,-0.6 -3,-0.8 -2,-0.1 0.914 90.2 42.7 -67.4 -45.1 28.6 23.9 59.4 94 113 A F T 3X S+ 0 0 131 -4,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.732 102.0 67.8 -80.3 -21.5 25.1 23.6 58.0 95 114 A A H 3> S+ 0 0 55 2,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.775 92.4 64.4 -62.5 -31.5 26.2 22.6 54.5 96 115 A F H S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.860 113.9 59.3 -64.2 -30.3 24.1 17.8 57.0 98 117 A A H < S+ 0 0 52 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.952 110.1 43.0 -55.9 -49.5 22.4 19.4 53.9 99 118 A S H >< S+ 0 0 47 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.909 114.3 49.3 -61.3 -43.7 24.8 17.3 51.7 100 119 A L H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-2.2 0.854 101.0 65.5 -65.6 -35.5 24.3 14.2 53.8 101 120 A S T 3< S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.603 86.8 70.0 -66.3 -12.9 20.5 14.6 53.6 102 121 A L T <4 S+ 0 0 129 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.749 120.8 15.6 -67.1 -22.2 20.6 14.1 49.9 103 122 A F T <4 S+ 0 0 54 -3,-2.2 2,-0.3 -4,-0.3 -2,-0.2 0.595 121.2 55.6-125.7 -27.2 21.5 10.4 50.7 104 123 A L < - 0 0 12 -4,-2.5 -1,-0.1 -65,-0.0 2,-0.1 -0.848 66.3-126.7-123.7 150.8 20.6 9.7 54.4 105 124 A N > - 0 0 78 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.300 45.4 -93.4 -82.0 176.8 17.7 10.0 56.8 106 125 A E H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 125.1 52.8 -65.8 -34.4 18.0 11.9 60.2 107 126 A E H > S+ 0 0 152 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 110.4 47.0 -66.0 -40.7 18.9 8.7 62.1 108 127 A Q H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.880 108.9 54.6 -68.6 -40.6 21.8 7.9 59.7 109 128 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.935 109.1 49.2 -57.0 -44.7 23.0 11.6 59.8 110 129 A E H X S+ 0 0 70 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.918 107.8 53.6 -62.1 -41.5 23.2 11.3 63.6 111 130 A A H X S+ 0 0 43 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.911 108.2 51.1 -58.9 -37.7 25.1 7.9 63.2 112 131 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.930 109.1 49.5 -65.2 -41.6 27.6 9.8 61.0 113 132 A K H X S+ 0 0 33 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.905 112.3 48.8 -64.3 -39.8 28.0 12.6 63.7 114 133 A D H ><>S+ 0 0 39 -4,-2.5 5,-2.7 2,-0.2 3,-1.1 0.922 108.4 54.0 -63.7 -44.7 28.6 9.9 66.3 115 134 A G H ><5S+ 0 0 29 -4,-2.7 3,-0.9 1,-0.3 -2,-0.2 0.886 108.8 48.5 -56.5 -40.8 31.2 8.1 64.0 116 135 A X H 3<5S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.605 115.5 44.3 -73.7 -13.2 33.1 11.4 63.7 117 136 A T T X<5S- 0 0 0 -3,-1.1 3,-1.8 -4,-0.6 -1,-0.2 -0.047 113.9-109.9-123.1 25.5 33.1 11.9 67.5 118 137 A Y T < 5 - 0 0 97 -3,-0.9 -3,-0.2 1,-0.3 -4,-0.1 0.689 59.6 -75.9 55.7 28.6 33.9 8.4 68.6 119 138 A G T 3> + 0 0 13 -3,-1.8 4,-2.7 -6,-0.3 5,-0.3 0.808 60.5 64.3 -67.4 -26.6 31.2 9.8 73.1 121 140 A V H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.981 109.2 36.9 -59.0 -56.8 27.5 10.9 73.4 122 141 A K H > S+ 0 0 128 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.924 117.4 51.5 -64.1 -44.8 26.2 7.4 74.1 123 142 A V H X S+ 0 0 96 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.920 114.5 42.9 -58.9 -46.5 29.2 6.4 76.2 124 143 A T H X S+ 0 0 13 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.913 114.3 50.1 -67.2 -43.6 29.0 9.5 78.4 125 144 A Y H X S+ 0 0 53 -4,-2.7 4,-2.2 -5,-0.3 5,-0.2 0.947 113.9 44.3 -62.3 -48.6 25.2 9.4 78.8 126 145 A E H X S+ 0 0 100 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.902 113.1 51.1 -66.0 -38.2 25.1 5.7 79.8 127 146 A A H X S+ 0 0 39 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.897 109.4 51.2 -63.9 -40.7 28.0 6.1 82.2 128 147 A T H X S+ 0 0 25 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.932 111.8 46.0 -64.2 -44.0 26.4 9.0 83.9 129 148 A L H < S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.2 52.7 -65.5 -36.3 23.1 7.1 84.4 130 149 A D H < S+ 0 0 59 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.835 112.6 44.1 -66.9 -34.1 25.1 4.1 85.6 131 150 A X H < S+ 0 0 51 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.802 123.6 34.3 -85.2 -28.0 26.9 6.2 88.2 132 151 A I >< + 0 0 9 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.3 -0.729 62.5 169.5-126.7 83.2 23.8 8.1 89.4 133 152 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.702 73.2 67.1 -67.9 -15.4 20.8 5.8 89.3 134 153 A S T 3 S+ 0 0 71 2,-0.0 -5,-0.1 0, 0.0 -2,-0.0 0.443 70.6 138.5 -82.9 -1.2 18.6 8.3 91.2 135 154 A L < - 0 0 11 -3,-1.4 2,-0.1 -6,-0.2 -6,-0.0 -0.084 51.9-124.1 -49.9 138.0 18.6 11.0 88.4 136 155 A K > - 0 0 125 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.443 22.8-112.1 -75.7 157.1 15.3 12.8 87.8 137 156 A E H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.910 118.3 53.1 -55.5 -47.2 13.8 12.8 84.3 138 157 A E H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.832 107.9 52.0 -61.5 -31.9 14.4 16.5 83.8 139 158 A E H > S+ 0 0 3 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.924 107.9 50.8 -70.0 -44.5 18.1 16.0 84.8 140 159 A K H X S+ 0 0 55 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.910 110.7 49.9 -58.0 -40.8 18.6 13.2 82.2 141 160 A V H X S+ 0 0 89 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.919 112.6 46.0 -65.1 -44.3 17.0 15.4 79.5 142 161 A Q H X S+ 0 0 65 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.915 113.3 49.5 -63.2 -45.5 19.3 18.4 80.4 143 162 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.930 112.6 47.2 -59.6 -47.3 22.4 16.1 80.5 144 163 A Y H X S+ 0 0 85 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.912 108.6 55.5 -63.7 -42.1 21.5 14.6 77.1 145 164 A A H X S+ 0 0 50 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.880 108.4 48.0 -57.4 -42.1 20.8 18.1 75.6 146 165 A W H X S+ 0 0 37 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.855 109.3 52.6 -71.5 -32.6 24.3 19.3 76.5 147 166 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.893 109.0 49.8 -67.0 -39.1 26.0 16.2 75.1 148 167 A V H X S+ 0 0 43 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.910 112.8 48.1 -61.9 -44.4 24.2 16.7 71.8 149 168 A E H X S+ 0 0 74 -4,-2.1 4,-1.4 1,-0.2 3,-0.4 0.923 108.7 53.5 -58.9 -49.6 25.4 20.3 71.8 150 169 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.884 104.4 56.2 -53.8 -42.4 28.9 19.2 72.6 151 170 A R H X S+ 0 0 8 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.865 99.1 59.5 -62.3 -35.9 28.8 16.9 69.6 152 171 A E H < S+ 0 0 48 -4,-1.4 4,-0.5 -3,-0.4 -1,-0.2 0.924 114.3 37.3 -60.2 -41.6 28.0 19.8 67.2 153 172 A F H >< S+ 0 0 120 -4,-1.4 3,-1.0 2,-0.2 4,-0.3 0.915 114.6 53.5 -73.6 -45.0 31.3 21.5 68.3 154 173 A A H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.2 -2,-0.2 0.893 101.0 59.6 -59.0 -41.9 33.4 18.3 68.6 155 174 A X T 3< S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.807 108.8 47.3 -59.3 -22.5 32.5 17.2 65.0 156 175 A D T < S+ 0 0 10 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.427 91.0 114.8 -95.9 -2.7 34.1 20.5 63.8 157 176 A A S < S- 0 0 14 -3,-2.0 6,-0.1 -4,-0.3 -107,-0.1 -0.252 73.3-117.3 -73.0 163.1 37.3 20.1 66.0 158 177 A E S S- 0 0 76 1,-0.1 2,-0.3 -108,-0.1 -1,-0.1 0.789 79.1 -19.1 -71.2 -34.8 40.8 19.6 64.6 159 178 A N S > S- 0 0 62 1,-0.1 4,-2.3 -5,-0.1 3,-0.2 -0.937 79.1 -73.5-164.4 176.5 41.7 16.2 65.9 160 179 A S H > S+ 0 0 53 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.879 124.2 52.1 -51.9 -48.7 41.0 13.4 68.4 161 180 A N H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 111.3 45.5 -55.9 -47.3 42.5 15.3 71.3 162 181 A K H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.859 109.9 56.2 -69.9 -32.7 40.5 18.5 70.7 163 182 A K H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.950 109.5 45.3 -59.0 -50.0 37.3 16.4 70.3 164 183 A H H X S+ 0 0 83 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.862 112.1 51.6 -63.6 -34.9 37.8 14.8 73.7 165 184 A A H X S+ 0 0 52 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.850 106.4 54.2 -71.2 -37.1 38.5 18.2 75.3 166 185 A A H X S+ 0 0 22 -4,-2.2 4,-1.4 2,-0.2 3,-0.4 0.956 111.3 44.6 -59.9 -49.3 35.3 19.7 73.7 167 186 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.920 108.0 62.4 -60.6 -36.7 33.3 16.9 75.3 168 187 A G H X S+ 0 0 34 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.868 99.6 52.6 -55.2 -38.7 35.3 17.5 78.5 169 188 A K H X S+ 0 0 166 -4,-1.7 4,-1.8 -3,-0.4 -1,-0.2 0.923 111.8 44.0 -67.0 -41.7 34.0 21.1 78.8 170 189 A Y H X S+ 0 0 27 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.836 110.2 56.3 -73.8 -31.0 30.4 20.0 78.6 171 190 A K H X S+ 0 0 76 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.881 106.7 50.7 -65.0 -35.5 31.1 17.1 81.1 172 191 A G H X S+ 0 0 29 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 109.1 50.9 -62.9 -42.6 32.3 19.8 83.5 173 192 A R H X S+ 0 0 109 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.887 108.0 52.5 -63.9 -40.0 29.1 21.7 82.9 174 193 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.947 109.9 48.9 -58.5 -49.3 27.1 18.5 83.7 175 194 A N H X S+ 0 0 65 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.859 110.1 49.5 -58.2 -42.5 29.0 18.1 87.0 176 195 A N H X S+ 0 0 114 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.890 111.7 50.5 -64.6 -41.3 28.5 21.7 88.1 177 196 A Y H X S+ 0 0 39 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.919 111.7 46.3 -59.3 -49.1 24.8 21.3 87.3 178 197 A L H <>S+ 0 0 2 -4,-2.6 5,-2.1 2,-0.2 -2,-0.2 0.931 113.2 49.1 -65.5 -42.6 24.4 18.1 89.3 179 198 A A H ><5S+ 0 0 52 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.948 109.2 52.9 -62.8 -44.8 26.4 19.5 92.3 180 199 A K H 3<5S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 104.9 57.0 -58.9 -28.8 24.2 22.7 92.2 181 200 A R T 3<5S- 0 0 101 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.211 128.9 -96.3 -89.5 17.9 21.2 20.3 92.3 182 201 A G T < 5S+ 0 0 67 -3,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.398 75.9 141.2 91.0 -0.8 22.4 18.8 95.6 183 202 A Y < - 0 0 30 -5,-2.1 2,-0.8 1,-0.1 -1,-0.3 -0.559 45.1-143.9 -74.5 139.8 24.2 15.7 94.3 184 203 A N > - 0 0 77 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.867 14.9-170.4-100.3 97.5 27.5 14.7 96.1 185 204 A L H > S+ 0 0 30 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.858 81.0 56.9 -65.9 -34.1 29.6 13.4 93.2 186 205 A T H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.957 112.3 43.2 -57.7 -48.9 32.4 12.0 95.4 187 206 A K H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 110.2 55.1 -64.1 -41.6 29.9 9.9 97.2 188 207 A E H X S+ 0 0 41 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.911 109.0 49.0 -59.3 -42.3 28.1 8.9 94.0 189 208 A R H X S+ 0 0 124 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.855 109.2 52.3 -64.2 -38.8 31.4 7.6 92.7 190 209 A E H X S+ 0 0 91 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.958 111.5 46.0 -60.8 -47.9 32.1 5.6 95.9 191 210 A E H X S+ 0 0 83 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.811 110.4 53.7 -66.9 -31.5 28.8 3.9 95.8 192 211 A W H X S+ 0 0 72 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.882 105.0 54.1 -68.5 -42.7 29.1 3.1 92.1 193 212 A A H X S+ 0 0 50 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.914 111.2 46.9 -51.8 -45.5 32.5 1.5 92.8 194 213 A K H X S+ 0 0 118 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.902 110.6 51.2 -66.4 -42.6 30.7 -0.7 95.3 195 214 A R H X S+ 0 0 73 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.912 107.1 55.0 -60.8 -40.0 27.9 -1.5 92.9 196 215 A V H X S+ 0 0 57 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.937 112.3 42.2 -60.0 -47.7 30.5 -2.5 90.3 197 216 A K H >< S+ 0 0 178 -4,-2.0 3,-1.9 2,-0.2 -2,-0.2 0.978 114.8 47.5 -60.7 -59.9 32.1 -5.1 92.6 198 217 A A H 3< S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 109.3 56.8 -51.5 -33.6 28.8 -6.5 94.1 199 218 A R H 3< 0 0 136 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.734 360.0 360.0 -68.5 -26.9 27.6 -6.7 90.4 200 219 A G << 0 0 102 -3,-1.9 -1,-0.2 -4,-0.8 -2,-0.1 -0.082 360.0 360.0 53.7 360.0 30.8 -8.9 89.8