==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-FEB-04 1SD5 . COMPND 2 MOLECULE: PUTATIVE ANTITERMINATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.P.MORTH,V.FENG,L.J.PERRY,D.I.SVERGUN,P.A.TUCKER,TB STRUCTU . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 80.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.2 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 . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.7 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 0 1 0 0 1 1 1 1 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 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 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 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 13 A P 0 0 72 0, 0.0 3,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 151.2 14.3 19.3 44.1 2 14 A R + 0 0 166 1,-0.2 25,-2.8 24,-0.1 2,-0.6 0.516 360.0 72.6-126.7 -36.2 14.0 21.5 47.1 3 15 A R E -a 27 0A 97 23,-0.2 45,-1.8 25,-0.1 46,-1.1 -0.749 66.3-168.9 -93.8 118.6 11.1 20.0 49.2 4 16 A V E -ab 28 49A 0 23,-2.9 25,-2.2 -2,-0.6 26,-1.3 -0.857 20.3-159.2-118.0 132.8 12.0 16.7 50.9 5 17 A L E -ab 30 50A 3 44,-2.6 46,-2.6 -2,-0.4 2,-0.4 -0.941 18.3-163.4 -97.0 126.8 10.1 14.0 52.8 6 18 A I E -ab 31 51A 0 24,-2.4 26,-3.0 -2,-0.5 2,-0.4 -0.922 8.9-171.6-113.1 139.2 12.3 11.9 55.0 7 19 A A E +ab 32 52A 0 44,-2.6 46,-2.2 -2,-0.4 2,-0.3 -0.950 26.7 137.1-132.2 111.4 11.2 8.5 56.4 8 20 A E - 0 0 3 24,-2.3 26,-0.1 -2,-0.4 48,-0.1 -0.945 40.0-155.7-161.7 127.4 13.5 7.0 59.0 9 21 A D S S+ 0 0 79 46,-0.3 2,-0.7 -2,-0.3 -1,-0.1 0.705 76.6 83.5 -83.9 -21.6 12.8 5.2 62.3 10 22 A E S > S- 0 0 111 1,-0.2 4,-2.6 2,-0.0 5,-0.2 -0.765 70.1-151.0 -90.8 117.8 16.1 5.9 64.0 11 23 A A H > S+ 0 0 46 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.866 92.1 51.3 -58.7 -42.3 15.9 9.4 65.5 12 24 A L H > S+ 0 0 113 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 112.3 44.3 -63.7 -47.5 19.7 10.1 65.2 13 25 A I H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 114.7 51.3 -60.6 -43.6 19.9 9.2 61.5 14 26 A R H X S+ 0 0 59 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.934 112.9 43.7 -58.9 -48.6 16.7 11.2 60.8 15 27 A M H X S+ 0 0 116 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.884 115.3 48.9 -65.8 -39.7 17.9 14.3 62.6 16 28 A D H X S+ 0 0 82 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.892 111.3 49.6 -70.0 -39.4 21.4 14.1 60.9 17 29 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.918 110.6 50.9 -60.4 -45.6 19.8 13.6 57.5 18 30 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.893 111.2 47.6 -61.5 -40.7 17.5 16.6 58.1 19 31 A E H X S+ 0 0 91 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.921 110.1 52.2 -70.1 -44.7 20.5 18.8 59.1 20 32 A M H X S+ 0 0 27 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.914 112.1 47.0 -49.2 -50.2 22.6 17.7 56.1 21 33 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-0.8 0.928 110.8 49.9 -66.5 -46.4 19.7 18.6 53.8 22 34 A R H ><5S+ 0 0 134 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.895 107.5 55.3 -58.0 -40.0 19.0 22.0 55.3 23 35 A E H 3<5S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.760 108.6 49.1 -66.7 -24.7 22.7 22.9 55.1 24 36 A E T <<5S- 0 0 100 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.176 129.1 -92.4-105.2 14.1 22.6 22.1 51.4 25 37 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.509 79.7 133.1 98.5 9.2 19.5 24.2 50.7 26 38 A Y < - 0 0 38 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.3 -0.510 47.1-137.6 -86.2 156.5 16.7 21.8 51.0 27 39 A E E -a 3 0A 107 -25,-2.8 -23,-2.9 -2,-0.2 2,-0.8 -0.975 13.3-136.9-111.7 129.8 13.5 22.3 53.0 28 40 A I E +a 4 0A 26 -2,-0.5 -23,-0.2 -25,-0.2 3,-0.1 -0.792 29.9 168.5 -86.8 111.8 12.2 19.4 55.1 29 41 A V E + 0 0 57 -25,-2.2 2,-0.3 -2,-0.8 -24,-0.2 0.581 62.6 18.2-104.3 -13.9 8.4 19.3 54.4 30 42 A G E -a 5 0A 16 -26,-1.3 -24,-2.4 2,-0.0 2,-0.4 -0.982 54.0-165.8-155.6 147.9 7.6 16.0 56.0 31 43 A E E -a 6 0A 83 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.991 12.7-177.8-133.4 127.5 9.1 13.4 58.4 32 44 A A E -a 7 0A 2 -26,-3.0 -24,-2.3 -2,-0.4 3,-0.1 -0.882 22.6-159.5-121.1 153.5 7.8 9.9 58.8 33 45 A G S S+ 0 0 25 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.1 0.343 78.2 32.0-110.1 3.2 8.9 7.1 61.2 34 46 A D S > S- 0 0 29 22,-0.1 4,-1.8 -26,-0.1 24,-0.2 -0.977 80.2-109.1-156.0 169.8 7.4 4.3 59.1 35 47 A G H > S+ 0 0 0 22,-1.7 4,-2.0 24,-0.6 5,-0.2 0.783 110.9 57.1 -75.4 -29.9 6.6 3.1 55.6 36 48 A Q H > S+ 0 0 103 21,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.949 111.0 42.9 -66.9 -49.2 2.8 3.4 55.8 37 49 A E H > S+ 0 0 85 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.873 110.4 58.2 -62.1 -37.6 3.0 7.1 56.8 38 50 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.927 109.0 44.4 -59.4 -45.5 5.7 7.7 54.1 39 51 A V H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.927 114.4 49.2 -64.3 -45.4 3.4 6.5 51.4 40 52 A E H X S+ 0 0 107 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 113.8 44.9 -60.9 -48.3 0.4 8.4 52.7 41 53 A L H X S+ 0 0 36 -4,-3.0 4,-2.5 1,-0.2 5,-0.4 0.922 113.4 50.0 -64.1 -45.2 2.3 11.7 53.0 42 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.913 114.0 44.2 -60.6 -43.5 4.0 11.4 49.6 43 55 A E H < S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.833 118.6 43.8 -74.1 -31.5 0.7 10.6 47.8 44 56 A L H < S+ 0 0 106 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.849 128.7 23.1 -75.6 -37.7 -1.2 13.4 49.6 45 57 A H H < S- 0 0 120 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.498 87.2-139.5-120.7 -11.8 1.4 16.2 49.4 46 58 A K < - 0 0 114 -4,-2.0 -4,-0.1 -5,-0.4 -3,-0.1 0.900 23.3-159.6 53.2 64.3 3.7 15.3 46.5 47 59 A P - 0 0 7 0, 0.0 -43,-0.2 0, 0.0 3,-0.1 -0.154 23.7-120.1 -65.2 164.3 7.1 16.3 47.8 48 60 A D S S+ 0 0 62 -45,-1.8 2,-0.3 1,-0.2 -44,-0.2 0.674 92.8 10.2 -75.7 -20.6 10.1 16.9 45.4 49 61 A L E -b 4 0A 0 -46,-1.1 -44,-2.6 25,-0.2 2,-0.4 -0.974 63.2-152.6-162.2 139.1 12.2 14.1 46.8 50 62 A V E -bc 5 76A 0 25,-2.2 27,-2.5 -2,-0.3 2,-0.5 -0.991 7.1-173.1-122.8 130.9 11.8 11.2 49.2 51 63 A I E +bc 6 77A 0 -46,-2.6 -44,-2.6 -2,-0.4 2,-0.4 -0.988 19.4 168.2-122.8 122.9 14.5 9.7 51.3 52 64 A M E -bc 7 78A 0 25,-2.5 27,-2.6 -2,-0.5 -44,-0.2 -0.979 35.6-112.2-139.0 143.7 13.5 6.5 53.1 53 65 A D E - c 0 79A 4 -46,-2.2 27,-0.2 -2,-0.4 25,-0.0 -0.491 22.1-133.7 -70.8 142.5 15.1 3.7 55.1 54 66 A V S S+ 0 0 1 25,-2.9 8,-1.1 -2,-0.2 7,-0.6 0.789 97.3 49.5 -65.4 -29.5 15.0 0.2 53.5 55 67 A K S S+ 0 0 95 24,-0.3 -46,-0.3 5,-0.2 -1,-0.2 -0.966 74.1 143.7-117.5 121.7 13.9 -1.2 56.8 56 68 A M - 0 0 13 -2,-0.5 -22,-0.1 -48,-0.1 6,-0.1 -0.986 47.4 -91.9-152.9 154.0 11.0 0.4 58.6 57 69 A P S S+ 0 0 58 0, 0.0 2,-2.5 0, 0.0 -22,-1.7 -0.244 97.5 8.2 -60.6 152.1 8.0 -0.5 60.8 58 70 A R S S+ 0 0 194 -24,-0.2 2,-0.4 -23,-0.1 -24,-0.1 -0.343 136.1 24.8 86.1 -62.0 4.5 -1.1 59.4 59 71 A R S S- 0 0 84 -2,-2.5 -24,-0.6 4,-0.0 -21,-0.1 -0.974 94.2-116.8-136.2 121.1 5.4 -1.1 55.7 60 72 A D > - 0 0 62 -2,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.193 24.3-114.7 -63.2 151.7 9.0 -2.0 54.9 61 73 A G H > S+ 0 0 0 -7,-0.6 4,-2.4 1,-0.2 -6,-0.2 0.826 115.1 52.6 -56.2 -34.9 11.0 0.8 53.2 62 74 A I H > S+ 0 0 24 -8,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.911 109.9 46.2 -71.2 -43.6 11.3 -1.3 50.0 63 75 A D H > S+ 0 0 94 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.925 115.8 47.0 -63.0 -45.3 7.5 -1.9 49.7 64 76 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.907 112.0 50.7 -60.8 -42.0 6.8 1.7 50.4 65 77 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.3 -2,-0.2 0.918 109.5 50.5 -65.1 -42.9 9.5 2.8 47.9 66 78 A S H X S+ 0 0 26 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.916 110.7 49.4 -59.5 -44.3 8.0 0.6 45.2 67 79 A E H X S+ 0 0 51 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.953 114.5 43.4 -61.5 -50.0 4.6 2.0 45.8 68 80 A I H ><>S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 5,-0.8 0.911 113.1 53.2 -63.4 -40.2 5.8 5.6 45.6 69 81 A A H ><5S+ 0 0 6 -4,-3.1 3,-1.7 1,-0.2 27,-0.3 0.903 102.9 58.4 -58.4 -42.4 8.0 4.7 42.6 70 82 A S H 3<5S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.738 101.7 55.3 -60.8 -24.1 4.9 3.2 40.8 71 83 A K T <<5S- 0 0 106 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.514 98.8-138.6 -89.9 -6.5 3.1 6.6 41.0 72 84 A R T < 5 + 0 0 78 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.872 61.4 127.8 49.5 47.5 5.9 8.5 39.3 73 85 A I < - 0 0 40 -5,-0.8 -4,-0.1 1,-0.3 -1,-0.1 0.715 67.0 -4.1-104.6 -23.7 5.7 11.4 41.7 74 86 A A S S- 0 0 4 -6,-0.3 -1,-0.3 22,-0.1 -25,-0.2 -0.983 71.7 -92.1-164.2 152.0 9.2 11.9 43.0 75 87 A P - 0 0 5 0, 0.0 -25,-2.2 0, 0.0 2,-0.4 -0.403 43.9-150.6 -61.4 149.3 12.8 10.7 43.0 76 88 A I E -c 50 0A 0 20,-0.3 22,-1.9 40,-0.2 2,-0.5 -0.993 15.5-165.8-134.2 127.4 13.6 8.3 45.8 77 89 A V E -cd 51 98A 0 -27,-2.5 -25,-2.5 -2,-0.4 2,-0.6 -0.967 14.0-156.6-107.7 126.7 16.8 7.5 47.7 78 90 A V E -cd 52 99A 0 20,-2.8 22,-2.3 -2,-0.5 2,-0.3 -0.924 9.2-141.4-107.2 119.4 16.6 4.3 49.8 79 91 A L E +cd 53 100A 0 -27,-2.6 -25,-2.9 -2,-0.6 2,-0.3 -0.625 32.7 165.2 -80.4 133.1 19.0 4.1 52.8 80 92 A T E - d 0 101A 0 20,-2.5 22,-2.4 -2,-0.3 2,-0.1 -0.998 42.2-109.3-147.0 146.6 20.5 0.6 53.3 81 93 A A E > - d 0 102A 38 -2,-0.3 3,-1.9 20,-0.2 4,-0.3 -0.457 46.9-108.9 -62.8 151.9 23.3 -1.3 55.0 82 94 A F G > S+ 0 0 125 20,-0.5 3,-1.6 1,-0.3 4,-0.2 0.903 119.9 56.3 -51.2 -44.6 25.8 -2.4 52.5 83 95 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.604 106.8 49.6 -68.4 -13.2 24.6 -6.0 52.9 84 96 A Q G X> S+ 0 0 62 -3,-1.9 3,-1.8 1,-0.1 4,-0.5 0.326 75.1 106.5-105.5 5.9 21.0 -5.1 52.0 85 97 A R H X> + 0 0 70 -3,-1.6 4,-1.6 -4,-0.3 3,-1.0 0.792 68.7 66.9 -58.9 -31.3 21.6 -3.1 48.8 86 98 A D H 3> S+ 0 0 101 1,-0.3 4,-2.3 -4,-0.2 -1,-0.3 0.721 87.8 68.6 -65.2 -22.7 20.3 -5.9 46.6 87 99 A L H <> S+ 0 0 70 -3,-1.8 4,-1.0 2,-0.2 -1,-0.3 0.883 104.6 42.2 -60.6 -38.9 16.8 -5.4 48.0 88 100 A V H < S+ 0 0 78 -4,-1.6 3,-0.9 1,-0.3 -2,-0.2 0.920 108.6 49.3 -58.9 -41.9 18.3 -3.3 43.0 90 102 A R H >< S+ 0 0 220 -4,-2.3 3,-0.8 1,-0.2 -1,-0.3 0.859 106.9 56.9 -56.9 -38.1 15.5 -5.9 42.9 91 103 A A H >< S+ 0 0 6 -4,-1.0 3,-1.8 -3,-0.3 4,-0.3 0.518 77.7 90.7 -80.1 -5.3 12.8 -3.2 43.4 92 104 A R G X< + 0 0 40 -3,-0.9 3,-0.7 -4,-0.7 -1,-0.2 0.599 65.3 80.5 -76.8 -7.4 13.7 -0.9 40.5 93 105 A D G < S+ 0 0 130 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.822 89.2 59.8 -57.4 -28.1 11.3 -2.7 38.2 94 106 A A G < S- 0 0 18 -3,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.763 122.1 -85.9 -72.9 -27.5 8.7 -0.5 40.0 95 107 A G S < S- 0 0 0 -3,-0.7 2,-0.6 -4,-0.3 -1,-0.2 -0.998 74.0 -3.9 153.1-156.4 10.4 2.7 38.9 96 108 A A + 0 0 5 -27,-0.3 -20,-0.3 -2,-0.3 2,-0.3 -0.605 67.6 130.3 -82.0 117.5 13.1 5.3 39.6 97 109 A M - 0 0 0 -2,-0.6 2,-0.3 -22,-0.1 -20,-0.2 -0.975 32.1-158.4-152.9 162.9 15.1 4.8 42.9 98 110 A A E -d 77 0A 0 -22,-1.9 -20,-2.8 -2,-0.3 2,-0.2 -0.995 17.6-129.0-137.5 143.7 18.7 4.7 44.1 99 111 A Y E -d 78 0A 80 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.581 12.5-161.0 -86.8 156.5 20.2 3.2 47.2 100 112 A L E -d 79 0A 12 -22,-2.3 -20,-2.5 -2,-0.2 2,-0.3 -0.978 20.0-130.4-135.9 120.3 22.6 5.0 49.6 101 113 A V E -d 80 0A 44 -2,-0.4 -20,-0.2 -22,-0.2 -22,-0.1 -0.550 34.0-103.1 -77.0 130.3 24.7 2.9 51.9 102 114 A K E S+d 81 0A 55 -22,-2.4 -20,-0.5 -2,-0.3 2,-0.1 -0.740 97.5 52.3 -89.3 150.3 24.7 3.8 55.6 103 115 A P S S+ 0 0 132 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.590 83.7 165.2 -73.0 156.0 26.6 5.1 57.3 104 116 A F - 0 0 31 -2,-0.1 2,-0.2 -4,-0.1 -2,-0.1 -0.935 27.1-155.5-139.4 152.8 26.8 8.2 55.0 105 117 A S >> - 0 0 51 -2,-0.3 4,-2.2 -3,-0.0 3,-1.3 -0.689 46.6 -90.8-116.1 177.7 27.9 11.8 55.0 106 118 A I H 3> S+ 0 0 44 1,-0.3 4,-2.5 -2,-0.2 -1,-0.0 0.868 124.9 62.6 -60.6 -32.9 26.8 14.7 52.8 107 119 A S H 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.748 110.9 39.3 -66.5 -23.2 29.5 13.8 50.3 108 120 A D H <> S+ 0 0 75 -3,-1.3 4,-1.4 2,-0.1 -1,-0.2 0.791 113.9 54.5 -84.5 -38.1 27.8 10.4 49.8 109 121 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.889 100.7 57.6 -68.4 -41.0 24.2 11.8 49.9 110 122 A I H X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.938 107.8 45.6 -60.6 -51.1 24.6 14.4 47.2 111 123 A P H > S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.858 111.0 54.8 -58.5 -34.7 25.6 11.9 44.5 112 124 A A H X S+ 0 0 10 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.898 109.0 47.3 -65.7 -40.5 22.8 9.5 45.6 113 125 A I H X S+ 0 0 6 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.935 109.8 53.3 -63.0 -45.7 20.3 12.4 45.1 114 126 A E H X S+ 0 0 80 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.886 112.1 46.1 -54.0 -40.2 21.8 13.2 41.7 115 127 A L H X S+ 0 0 36 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.921 112.0 48.4 -72.9 -44.4 21.4 9.5 40.7 116 128 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 113.2 49.4 -62.1 -41.2 17.8 9.2 42.0 117 129 A V H X S+ 0 0 14 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.928 109.4 51.2 -64.9 -44.4 16.9 12.5 40.2 118 130 A S H X S+ 0 0 5 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.925 111.5 47.5 -57.1 -47.3 18.5 11.3 36.9 119 131 A R H X S+ 0 0 22 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 111.2 51.2 -64.4 -37.9 16.5 8.0 37.1 120 132 A F H X S+ 0 0 42 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.913 108.8 51.1 -65.2 -42.3 13.3 9.9 37.9 121 133 A R H X S+ 0 0 123 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.877 109.9 51.6 -60.2 -35.8 13.9 12.2 34.9 122 134 A E H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.936 111.9 43.9 -68.0 -47.6 14.4 9.1 32.7 123 135 A I H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.926 114.6 50.6 -64.7 -41.3 11.1 7.4 33.8 124 136 A T H X S+ 0 0 64 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.903 111.6 47.8 -60.3 -44.1 9.3 10.7 33.5 125 137 A A H X S+ 0 0 18 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.888 112.3 49.1 -65.2 -41.3 10.7 11.2 30.0 126 138 A L H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.888 110.1 51.1 -65.7 -39.4 9.8 7.6 29.0 127 139 A E H < S+ 0 0 70 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.886 120.1 36.0 -64.0 -38.0 6.2 8.0 30.3 128 140 A G H < S+ 0 0 68 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.881 122.3 38.8 -84.1 -41.1 5.8 11.2 28.3 129 141 A E H < S+ 0 0 91 -4,-3.0 2,-0.5 -5,-0.1 -3,-0.2 0.739 100.7 72.2 -91.4 -28.4 7.7 10.6 25.1 130 142 A V S < S- 0 0 14 -4,-1.5 6,-0.1 -5,-0.3 -1,-0.0 -0.816 70.1-149.6 -94.0 127.7 6.9 7.0 24.3 131 143 A A S S+ 0 0 85 -2,-0.5 2,-0.3 4,-0.0 -1,-0.2 0.930 70.8 32.5 -63.9 -51.5 3.3 6.5 23.1 132 144 A T S > S- 0 0 63 1,-0.1 4,-2.3 0, 0.0 5,-0.1 -0.764 71.7-124.2-118.4 157.3 2.6 3.0 24.3 133 145 A L H > S+ 0 0 107 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.886 109.2 54.5 -64.9 -42.8 3.6 0.8 27.3 134 146 A S H > S+ 0 0 90 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.915 114.2 42.8 -61.3 -40.5 4.9 -2.2 25.2 135 147 A E H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 112.7 54.8 -63.0 -43.6 7.2 0.3 23.4 136 148 A R H X S+ 0 0 34 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.901 102.8 54.1 -64.1 -40.8 8.1 2.0 26.7 137 149 A L H X S+ 0 0 106 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.910 115.3 40.4 -62.2 -42.2 9.2 -1.2 28.4 138 150 A E H X S+ 0 0 108 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.829 111.3 56.3 -76.6 -31.6 11.6 -1.9 25.6 139 151 A T H X S+ 0 0 12 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.896 105.2 53.4 -66.3 -39.1 12.7 1.7 25.2 140 152 A R H X S+ 0 0 59 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.943 109.6 47.9 -56.4 -47.8 13.7 1.7 28.9 141 153 A K H X S+ 0 0 123 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.919 113.1 48.6 -59.3 -43.9 15.8 -1.4 28.3 142 154 A L H X S+ 0 0 20 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 110.8 48.6 -63.4 -46.5 17.4 0.3 25.3 143 155 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.902 110.1 53.4 -63.2 -37.7 18.2 3.5 27.0 144 156 A E H X S+ 0 0 57 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.899 109.4 48.2 -64.7 -38.1 19.7 1.6 29.9 145 157 A R H X S+ 0 0 159 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.904 112.3 48.8 -64.7 -42.5 22.0 -0.3 27.5 146 158 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.929 110.2 50.8 -66.7 -43.4 23.0 3.0 25.8 147 159 A K H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.920 108.3 54.4 -54.5 -46.0 23.7 4.6 29.2 148 160 A G H X S+ 0 0 26 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.889 107.9 48.1 -56.4 -43.9 25.9 1.5 30.1 149 161 A L H X>S+ 0 0 31 -4,-1.9 4,-2.8 2,-0.2 5,-0.6 0.882 110.7 50.7 -66.6 -39.3 28.0 1.9 27.0 150 162 A L H X5S+ 0 0 2 -4,-2.1 6,-1.6 3,-0.2 4,-1.2 0.893 113.7 46.8 -66.8 -37.9 28.5 5.7 27.6 151 163 A Q H X5S+ 0 0 59 -4,-2.5 4,-0.8 4,-0.2 -2,-0.2 0.952 121.9 33.1 -65.8 -52.3 29.6 4.9 31.2 152 164 A T H <5S+ 0 0 106 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.895 127.5 35.7 -74.9 -42.9 31.9 2.0 30.3 153 165 A K H <5S+ 0 0 131 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.772 131.5 27.5 -87.0 -28.6 33.3 3.2 26.9 154 166 A H H < - 0 0 77 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.383 35.3-104.5 -68.8 163.3 28.8 8.8 35.3 158 170 A E H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.934 120.9 45.7 -59.2 -48.9 25.3 7.3 35.1 159 171 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.907 113.3 50.2 -62.3 -37.9 23.5 10.7 35.5 160 172 A D H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.876 108.2 54.2 -68.3 -35.1 25.9 12.3 32.9 161 173 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.942 112.0 42.5 -63.4 -48.5 25.2 9.4 30.5 162 174 A F H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.918 112.5 53.5 -65.7 -39.9 21.5 9.9 30.6 163 175 A K H X S+ 0 0 73 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.919 106.6 54.0 -58.5 -40.5 21.8 13.7 30.5 164 176 A W H X S+ 0 0 94 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.932 108.4 48.8 -58.9 -45.3 23.9 13.2 27.3 165 177 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.924 114.1 45.3 -61.6 -45.8 21.1 11.2 25.7 166 178 A Q H X S+ 0 0 62 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 114.5 47.4 -65.9 -41.9 18.5 13.8 26.6 167 179 A R H X S+ 0 0 189 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.884 112.5 50.0 -69.8 -38.7 20.6 16.7 25.4 168 180 A A H X S+ 0 0 10 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.933 111.8 47.4 -61.3 -48.2 21.5 14.9 22.2 169 181 A A H X>S+ 0 0 4 -4,-2.5 5,-2.3 -5,-0.2 4,-0.6 0.916 114.9 46.6 -62.4 -41.2 17.8 14.1 21.5 170 182 A M H ><5S+ 0 0 153 -4,-2.4 3,-0.8 3,-0.2 -2,-0.2 0.963 116.7 41.8 -65.4 -49.7 16.7 17.7 22.2 171 183 A D H 3<5S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.892 117.2 46.9 -69.9 -37.3 19.4 19.4 20.2 172 184 A R H 3<5S- 0 0 142 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.475 108.6-126.7 -79.9 -4.0 19.2 17.0 17.3 173 185 A R T <<5S+ 0 0 235 -3,-0.8 2,-0.2 -4,-0.6 -3,-0.2 0.951 73.0 100.4 55.9 53.9 15.4 17.3 17.3 174 186 A T S - 0 0 53 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.674 27.8-118.7-109.8 158.4 13.9 11.0 20.2 176 188 A M H > S+ 0 0 3 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.909 116.2 58.7 -54.4 -42.2 15.7 9.3 23.1 177 189 A K H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.927 106.9 44.0 -55.2 -50.1 15.0 6.0 21.3 178 190 A R H > S+ 0 0 163 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 114.5 49.1 -64.8 -43.5 16.8 7.1 18.1 179 191 A V H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.939 113.4 47.3 -60.2 -45.3 19.8 8.5 20.0 180 192 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.900 109.5 53.2 -64.7 -41.2 20.0 5.4 22.1 181 193 A E H X S+ 0 0 84 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.919 109.7 49.0 -60.2 -41.5 19.8 3.1 19.0 182 194 A V H X S+ 0 0 66 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.884 108.0 53.4 -68.5 -37.9 22.7 5.1 17.4 183 195 A V H X>S+ 0 0 9 -4,-2.2 4,-3.0 2,-0.2 5,-0.6 0.922 110.0 48.6 -57.7 -45.7 24.8 4.8 20.6 184 196 A L H X5S+ 0 0 30 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.933 111.2 49.9 -61.3 -45.4 24.3 1.0 20.5 185 197 A E H <5S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 119.5 37.8 -56.7 -41.2 25.2 0.9 16.8 186 198 A T H <5S+ 0 0 108 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.912 131.2 21.3 -82.4 -45.2 28.4 2.9 17.4 187 199 A L H <5 0 0 38 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.593 360.0 360.0-104.8 -17.2 29.7 1.6 20.8 188 200 A G << 0 0 83 -4,-1.9 -42,-0.0 -5,-0.6 -4,-0.0 -0.433 360.0 360.0 -76.0 360.0 28.0 -1.8 21.1