==== 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 DNA RECOMBINATION 21-AUG-97 1HJP . COMPND 2 MOLECULE: RUVA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.NISHINO,M.ARIYOSHI,H.IWASAKI,H.SHINAGAWA,K.MORIKAWA . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 14.5 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 . 3 1.6 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 . 20 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 0 0 0 0 1 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 206 0, 0.0 2,-0.8 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 -13.7 36.5 34.0 4.9 2 2 A I + 0 0 45 1,-0.2 49,-0.3 46,-0.0 3,-0.1 -0.816 360.0 161.0 -92.5 109.8 39.2 33.0 2.4 3 3 A G + 0 0 34 -2,-0.8 46,-2.0 1,-0.3 2,-0.3 0.636 59.6 19.1-103.1 -18.3 38.4 29.5 1.3 4 4 A R E -A 48 0A 124 44,-0.3 2,-0.4 58,-0.0 -1,-0.3 -0.979 53.6-161.8-155.7 141.1 40.3 29.1 -2.0 5 5 A L E -A 47 0A 11 42,-2.3 42,-2.4 -2,-0.3 2,-0.4 -0.968 6.0-176.4-123.5 139.2 43.2 30.7 -3.9 6 6 A R E +A 46 0A 134 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.976 36.8 103.0-134.6 114.3 43.8 30.3 -7.6 7 7 A G E -A 45 0A 6 38,-1.6 38,-2.7 -2,-0.4 2,-0.4 -0.955 68.0 -51.8-167.6-169.6 46.9 32.0 -8.9 8 8 A I E -AB 44 20A 61 12,-2.2 12,-3.0 -2,-0.3 2,-0.7 -0.726 45.1-126.0 -90.1 126.7 50.5 31.7 -10.1 9 9 A I E + B 0 19A 0 34,-2.1 33,-3.0 -2,-0.4 10,-0.2 -0.622 32.4 174.4 -72.7 113.9 53.1 29.9 -7.9 10 10 A I E - 0 0 70 8,-3.1 2,-0.3 -2,-0.7 -1,-0.2 0.879 60.9 -2.5 -84.9 -53.2 55.9 32.5 -7.6 11 11 A E E - B 0 18A 90 7,-0.9 7,-2.4 30,-0.0 2,-0.5 -0.999 54.7-147.3-143.7 150.4 58.2 30.7 -5.1 12 12 A K E + B 0 17A 76 -2,-0.3 5,-0.2 5,-0.2 29,-0.0 -0.975 24.9 158.7-118.7 126.3 58.4 27.5 -3.1 13 13 A Q E > - B 0 16A 114 3,-3.1 3,-2.9 -2,-0.5 4,-0.1 -0.621 55.1 -96.6-142.9 74.0 60.1 27.4 0.3 14 14 A P T 3 S+ 0 0 76 0, 0.0 15,-0.1 0, 0.0 -2,-0.0 -0.061 110.6 18.1 -43.9 132.1 58.7 24.4 2.1 15 15 A P T 3 S+ 0 0 56 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.987 123.4 69.4 -87.8 14.8 56.5 24.5 3.9 16 16 A L E < -BC 13 29A 38 -3,-2.9 -3,-3.1 13,-0.2 2,-0.4 -0.644 54.0-172.9 -92.0 136.6 55.7 27.9 2.4 17 17 A V E -BC 12 28A 0 11,-2.7 11,-3.0 -2,-0.3 2,-0.7 -0.974 15.7-145.0-120.1 149.9 54.4 28.6 -1.0 18 18 A L E -BC 11 27A 39 -7,-2.4 -8,-3.1 -2,-0.4 -7,-0.9 -0.940 19.4-173.1-116.8 110.9 54.0 32.1 -2.5 19 19 A I E -BC 9 26A 0 7,-2.6 7,-3.3 -2,-0.7 2,-0.6 -0.917 13.6-146.1-107.3 130.1 50.9 32.3 -4.7 20 20 A E E +BC 8 25A 78 -12,-3.0 -12,-2.2 -2,-0.5 2,-0.5 -0.858 17.5 178.6 -98.2 119.1 50.2 35.4 -6.7 21 21 A V E > S- C 0 24A 49 3,-3.1 3,-1.7 -2,-0.6 2,-0.7 -0.967 75.8 -30.2-118.6 106.0 46.6 36.4 -7.2 22 22 A G T 3 S- 0 0 77 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.750 126.2 -42.9 81.5-113.4 46.2 39.6 -9.2 23 23 A G T 3 S+ 0 0 62 -2,-0.7 2,-0.5 -3,-0.0 -1,-0.3 0.083 116.6 111.7-130.5 20.1 49.5 41.2 -8.0 24 24 A V E < -C 21 0A 78 -3,-1.7 -3,-3.1 2,-0.0 2,-0.8 -0.868 58.2-150.0 -99.8 123.5 48.9 40.1 -4.4 25 25 A G E -C 20 0A 38 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.840 12.7-160.3 -96.6 103.8 51.4 37.5 -3.2 26 26 A Y E -C 19 0A 74 -7,-3.3 -7,-2.6 -2,-0.8 2,-0.7 -0.667 12.4-138.7 -89.1 136.5 49.9 35.3 -0.6 27 27 A E E -C 18 0A 118 -2,-0.3 33,-0.6 -9,-0.2 2,-0.5 -0.855 24.8-170.6 -89.2 115.2 52.0 33.2 1.8 28 28 A V E -Cd 17 60A 0 -11,-3.0 -11,-2.7 -2,-0.7 2,-0.6 -0.936 14.2-148.5-111.9 128.9 50.4 29.8 2.1 29 29 A H E -Cd 16 61A 44 31,-2.8 33,-2.5 -2,-0.5 -13,-0.2 -0.872 25.2-179.2 -95.1 118.7 51.6 27.3 4.7 30 30 A M - 0 0 0 -15,-2.7 33,-0.1 -2,-0.6 31,-0.0 -0.959 31.5-110.5-123.9 142.2 51.1 23.7 3.4 31 31 A P >> - 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-1.5 -0.293 37.6-113.9 -59.2 145.5 51.8 20.3 4.9 32 32 A M H 3> S+ 0 0 38 55,-0.4 4,-1.9 1,-0.3 59,-0.2 0.869 113.5 60.3 -55.4 -35.6 54.7 18.5 3.1 33 33 A T H 34 S+ 0 0 36 57,-1.2 4,-0.4 1,-0.2 -1,-0.3 0.766 111.1 40.9 -68.5 -21.3 52.5 15.8 1.7 34 34 A C H X4 S+ 0 0 1 -3,-1.5 3,-0.9 56,-0.2 4,-0.4 0.831 107.9 64.4 -86.5 -36.0 50.4 18.4 -0.2 35 35 A F H >< S+ 0 0 14 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.850 93.7 59.4 -53.0 -41.6 53.6 20.3 -1.1 36 36 A Y T 3< S+ 0 0 148 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.865 102.3 54.7 -59.8 -33.6 54.9 17.4 -3.2 37 37 A E T < S+ 0 0 144 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.539 80.6 118.5 -79.8 -5.0 51.8 17.6 -5.5 38 38 A L < - 0 0 13 -3,-1.5 3,-0.1 -4,-0.4 7,-0.1 -0.322 66.3-116.1 -66.1 144.8 52.1 21.3 -6.4 39 39 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.070 47.5 -75.3 -60.0-176.0 52.6 22.3 -10.0 40 40 A E > - 0 0 121 1,-0.1 3,-2.3 4,-0.1 -31,-0.3 -0.491 55.7 -84.0 -88.3 150.1 55.8 24.1 -11.0 41 41 A A T 3 S+ 0 0 60 1,-0.3 -31,-0.2 -2,-0.2 -1,-0.1 -0.281 120.1 33.7 -54.8 134.8 56.8 27.7 -10.3 42 42 A G T 3 S+ 0 0 43 -33,-3.0 2,-0.3 1,-0.4 -1,-0.3 0.287 101.6 102.7 97.5 -7.5 55.2 29.9 -13.0 43 43 A Q S < S- 0 0 96 -3,-2.3 -34,-2.1 -34,-0.2 -1,-0.4 -0.793 79.0 -99.4-110.0 155.1 52.2 27.6 -13.3 44 44 A E E -A 8 0A 100 -2,-0.3 2,-0.3 -36,-0.2 -36,-0.2 -0.446 38.5-172.1 -72.0 136.5 48.7 28.1 -11.9 45 45 A A E -A 7 0A 5 -38,-2.7 -38,-1.6 -2,-0.2 2,-0.5 -0.934 16.5-150.7-125.8 153.4 47.7 26.3 -8.7 46 46 A I E +A 6 0A 70 -2,-0.3 2,-0.4 -40,-0.2 -40,-0.2 -0.991 22.5 179.9-121.3 115.7 44.4 25.9 -6.8 47 47 A V E -A 5 0A 0 -42,-2.4 -42,-2.3 -2,-0.5 2,-0.4 -0.961 25.2-136.1-122.7 142.7 44.7 25.5 -3.1 48 48 A F E -AE 4 63A 42 15,-2.9 15,-2.2 -2,-0.4 2,-0.3 -0.807 35.4-155.3 -89.6 131.7 42.0 25.1 -0.5 49 49 A T E - E 0 62A 2 -46,-2.0 2,-0.5 -2,-0.4 13,-0.2 -0.828 26.4-157.4-123.8 161.2 42.7 27.4 2.5 50 50 A H E - E 0 61A 36 11,-2.4 11,-2.4 -2,-0.3 2,-0.6 -0.983 20.9-149.3-130.3 113.2 42.1 27.8 6.2 51 51 A F E - E 0 60A 48 -2,-0.5 2,-0.6 -49,-0.3 9,-0.2 -0.806 7.8-162.5 -85.8 118.8 42.5 31.3 7.4 52 52 A V E - E 0 59A 22 7,-3.3 7,-2.5 -2,-0.6 2,-0.5 -0.931 7.5-160.3-107.3 125.0 43.7 31.6 11.0 53 53 A V E + E 0 58A 91 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.881 17.0 166.3-105.2 127.2 43.0 35.0 12.5 54 54 A R - 0 0 120 3,-1.9 -2,-0.0 -2,-0.5 0, 0.0 -0.739 47.2-114.0-127.3 179.8 44.9 36.1 15.5 55 55 A E S S+ 0 0 208 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.888 118.5 36.7 -85.6 -35.2 45.4 39.5 17.2 56 56 A D S S+ 0 0 123 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.722 127.2 10.0 -84.5 -26.5 49.1 39.4 16.3 57 57 A A - 0 0 32 2,-0.0 -3,-1.9 0, 0.0 2,-0.4 -0.977 53.4-139.1-154.2 164.0 49.0 37.8 12.9 58 58 A Q E - E 0 53A 142 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.984 30.9-177.1-131.9 117.2 46.9 36.6 10.0 59 59 A L E - E 0 52A 29 -7,-2.5 -7,-3.3 -2,-0.4 2,-0.5 -0.921 22.6-149.1-127.6 146.0 47.7 33.3 8.3 60 60 A L E -dE 28 51A 12 -33,-0.6 -31,-2.8 -2,-0.4 2,-0.5 -0.902 9.4-166.8-110.5 121.8 46.7 31.0 5.5 61 61 A Y E -dE 29 50A 20 -11,-2.4 -11,-2.4 -2,-0.5 2,-0.3 -0.931 18.7-157.6-103.3 128.2 47.1 27.2 5.7 62 62 A G E + E 0 49A 0 -33,-2.5 2,-0.3 -2,-0.5 -13,-0.2 -0.817 17.1 176.1-121.3 148.3 46.7 25.5 2.3 63 63 A F E - E 0 48A 0 -15,-2.2 -15,-2.9 -2,-0.3 3,-0.0 -0.968 35.7-122.6-137.8 156.4 45.8 22.0 1.1 64 64 A N S S+ 0 0 47 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.1 0.721 91.9 17.4 -83.4 -19.1 45.1 20.3 -2.3 65 65 A N S > S- 0 0 58 -17,-0.1 4,-1.4 1,-0.0 3,-0.2 -0.956 78.8-107.7-146.6 168.2 41.6 19.1 -1.5 66 66 A K H > S+ 0 0 118 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.730 111.8 61.6 -66.9 -27.7 38.8 19.7 0.9 67 67 A Q H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.943 104.2 48.5 -67.4 -43.3 39.3 16.4 2.7 68 68 A E H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.914 111.7 50.0 -61.7 -41.8 42.8 17.4 3.8 69 69 A R H X S+ 0 0 38 -4,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.892 109.7 50.4 -62.5 -40.5 41.5 20.8 5.0 70 70 A T H X S+ 0 0 24 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.929 109.9 51.0 -63.9 -43.4 38.7 19.2 7.0 71 71 A L H X S+ 0 0 0 -4,-2.4 4,-3.5 2,-0.2 -2,-0.2 0.970 112.2 46.4 -55.9 -52.5 41.2 16.8 8.6 72 72 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.885 112.9 49.4 -56.5 -43.1 43.4 19.8 9.5 73 73 A K H X S+ 0 0 68 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.905 113.4 46.8 -65.9 -39.5 40.4 21.7 10.9 74 74 A E H >< S+ 0 0 20 -4,-3.1 3,-1.4 1,-0.2 4,-0.3 0.955 110.8 53.4 -64.9 -48.0 39.4 18.6 12.9 75 75 A L H >< S+ 0 0 0 -4,-3.5 3,-1.8 1,-0.3 -2,-0.2 0.886 103.5 54.3 -53.1 -48.8 42.9 18.2 14.2 76 76 A I H 3< S+ 0 0 42 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.671 92.5 74.4 -71.3 -6.2 43.3 21.7 15.5 77 77 A K T << S+ 0 0 117 -3,-1.4 2,-0.6 -4,-0.6 -1,-0.3 0.621 78.2 90.5 -72.9 -17.2 40.1 21.3 17.6 78 78 A T S X S- 0 0 2 -3,-1.8 3,-2.6 -4,-0.3 46,-0.1 -0.719 88.5-111.8 -92.0 124.8 42.0 19.1 20.1 79 79 A N T 3 S+ 0 0 128 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 -0.133 104.7 28.5 -48.1 134.1 43.7 20.8 23.0 80 80 A G T 3 S+ 0 0 62 1,-0.1 2,-0.5 -4,-0.1 -1,-0.3 0.273 103.7 92.1 96.2 -13.8 47.4 20.6 22.7 81 81 A V < + 0 0 8 -3,-2.6 -1,-0.1 -5,-0.2 -3,-0.1 -0.964 50.6 165.2-118.1 118.5 47.3 20.4 18.9 82 82 A G > - 0 0 28 -2,-0.5 4,-3.2 -3,-0.1 5,-0.3 -0.626 53.6 -78.6-119.8-179.1 47.6 23.6 16.9 83 83 A P H > S+ 0 0 30 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.867 126.5 50.6 -52.1 -45.4 48.3 24.6 13.3 84 84 A K H > S+ 0 0 180 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.909 115.1 43.7 -60.9 -43.5 52.1 24.1 13.5 85 85 A L H > S+ 0 0 22 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.932 114.1 49.3 -68.1 -43.2 51.6 20.6 15.0 86 86 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.895 109.2 54.3 -63.0 -37.5 48.8 19.7 12.6 87 87 A L H < S+ 0 0 15 -4,-2.7 -55,-0.4 -5,-0.3 -1,-0.2 0.910 110.6 46.0 -62.1 -41.3 51.1 20.9 9.8 88 88 A A H >X S+ 0 0 28 -4,-1.8 4,-2.4 2,-0.2 3,-1.3 0.915 109.3 54.1 -69.9 -40.4 53.9 18.5 11.1 89 89 A I H 3X S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.3 -2,-0.2 0.962 111.8 44.3 -59.8 -47.3 51.4 15.6 11.4 90 90 A L H 3< S+ 0 0 2 -4,-2.4 -57,-1.2 1,-0.2 -1,-0.3 0.430 112.2 55.0 -78.2 6.0 50.4 16.0 7.8 91 91 A S H <4 S+ 0 0 30 -3,-1.3 -1,-0.2 -59,-0.2 -2,-0.2 0.791 108.2 46.3 -98.2 -40.8 54.0 16.4 6.8 92 92 A G H < S+ 0 0 51 -4,-2.4 2,-0.3 1,-0.2 -2,-0.2 0.793 128.3 13.4 -72.3 -31.5 55.2 13.2 8.4 93 93 A M S < S- 0 0 15 -4,-1.7 -60,-0.2 -5,-0.2 -1,-0.2 -0.986 80.2-105.1-147.7 156.2 52.3 11.2 6.9 94 94 A S > - 0 0 40 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.264 40.4-105.5 -71.5 168.1 49.5 11.5 4.3 95 95 A A H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.944 122.3 50.6 -61.0 -46.0 45.9 12.2 5.3 96 96 A Q H > S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.928 110.3 48.7 -59.1 -45.5 45.1 8.5 4.4 97 97 A Q H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.872 111.3 51.4 -62.7 -37.6 48.0 7.2 6.5 98 98 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.907 111.3 45.7 -66.8 -43.8 46.9 9.4 9.4 99 99 A V H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 3,-0.3 0.955 113.4 50.9 -64.6 -41.0 43.3 8.2 9.3 100 100 A N H X S+ 0 0 81 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.945 109.9 49.1 -62.3 -43.3 44.5 4.6 9.1 101 101 A A H <>S+ 0 0 3 -4,-2.8 5,-2.4 1,-0.2 -1,-0.3 0.781 112.1 50.2 -66.7 -23.8 46.8 5.1 12.1 102 102 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.3 -3,-0.3 -2,-0.2 0.947 111.0 46.9 -77.7 -46.0 43.8 6.6 14.0 103 103 A E H 3<5S+ 0 0 72 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.865 116.9 42.9 -62.3 -39.2 41.4 3.8 13.2 104 104 A R T 3<5S- 0 0 188 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.236 110.3-124.4 -91.0 9.2 44.0 1.1 14.1 105 105 A E T < 5 + 0 0 112 -3,-1.3 2,-1.4 1,-0.2 -3,-0.2 0.838 41.3 175.7 48.1 48.1 45.0 3.1 17.2 106 106 A E < + 0 0 63 -5,-2.4 2,-0.6 -6,-0.2 4,-0.4 -0.649 6.3 169.2 -84.0 91.4 48.7 3.2 16.2 107 107 A V + 0 0 62 -2,-1.4 -1,-0.1 1,-0.2 15,-0.1 -0.495 69.6 59.4-103.0 58.1 50.0 5.4 19.0 108 108 A G S > S+ 0 0 31 -2,-0.6 4,-0.5 13,-0.1 -1,-0.2 0.235 94.3 62.6-152.1 -25.2 53.7 4.7 18.2 109 109 A A T 4 S+ 0 0 39 -3,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.766 111.5 38.5 -76.7 -29.6 53.6 6.1 14.7 110 110 A L T 4 S+ 0 0 1 -4,-0.4 3,-0.3 2,-0.1 7,-0.2 0.654 98.7 75.3 -96.3 -22.0 52.7 9.5 16.0 111 111 A V T 4 S+ 0 0 38 1,-0.2 6,-0.3 5,-0.1 5,-0.2 0.794 89.5 60.4 -65.2 -27.9 54.9 9.6 19.1 112 112 A K S < S+ 0 0 155 -4,-0.5 -1,-0.2 2,-0.1 -2,-0.1 0.901 82.6 95.2 -65.9 -44.1 58.0 10.2 16.9 113 113 A L S >> S- 0 0 31 -3,-0.3 3,-0.9 -4,-0.3 4,-0.5 -0.215 85.9-104.0 -54.2 134.0 56.7 13.5 15.5 114 114 A P T 34 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 -0.304 90.7 23.6 -67.6 143.9 57.9 16.5 17.4 115 115 A G T 34 S+ 0 0 73 -2,-0.1 -30,-0.1 1,-0.0 -2,-0.1 0.386 104.2 72.3 91.0 -1.0 55.9 18.6 19.8 116 116 A I T <4 - 0 0 23 -3,-0.9 2,-0.3 -5,-0.2 4,-0.3 0.823 65.5-167.9-111.4 -64.7 53.2 16.2 20.9 117 117 A G < - 0 0 20 -4,-0.5 -1,-0.1 -6,-0.3 -4,-0.1 -0.867 41.1 -61.2 115.3-150.4 54.3 13.4 23.2 118 118 A K S > S+ 0 0 125 -2,-0.3 4,-2.3 3,-0.1 -1,-0.1 0.772 124.2 44.5-111.4 -47.1 52.7 10.1 24.4 119 119 A K H > S+ 0 0 161 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.884 116.5 48.1 -68.9 -37.3 49.5 11.1 26.3 120 120 A T H > S+ 0 0 36 -4,-0.3 4,-3.3 2,-0.2 5,-0.2 0.903 109.2 53.9 -72.6 -33.4 48.5 13.7 23.7 121 121 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.966 112.3 44.9 -57.4 -52.0 49.2 11.1 21.0 122 122 A E H X S+ 0 0 88 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.924 114.7 47.2 -58.2 -46.4 46.8 8.7 22.9 123 123 A R H X S+ 0 0 71 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.909 109.2 55.3 -66.8 -37.4 44.2 11.5 23.4 124 124 A L H X S+ 0 0 0 -4,-3.3 4,-3.2 2,-0.2 5,-0.3 0.904 109.1 47.1 -57.3 -46.7 44.5 12.5 19.7 125 125 A I H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.973 114.5 45.4 -62.1 -53.8 43.6 8.9 18.6 126 126 A V H X S+ 0 0 100 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.941 118.6 43.2 -53.5 -54.3 40.7 8.6 21.0 127 127 A E H X S+ 0 0 60 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.922 114.6 47.6 -61.6 -47.4 39.3 12.0 20.1 128 128 A M H X S+ 0 0 0 -4,-3.2 4,-2.0 -5,-0.3 -1,-0.2 0.920 108.8 55.4 -64.4 -39.1 39.9 11.8 16.3 129 129 A K H X S+ 0 0 62 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.895 109.6 47.6 -57.8 -40.0 38.3 8.3 16.2 130 130 A D H X S+ 0 0 112 -4,-1.6 4,-0.6 -5,-0.3 3,-0.4 0.895 112.1 49.3 -68.3 -39.2 35.2 9.8 17.8 131 131 A R H < S+ 0 0 55 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.746 101.4 63.1 -71.9 -27.8 35.1 12.7 15.4 132 132 A F H >< S+ 0 0 6 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.822 88.1 71.3 -68.6 -31.5 35.4 10.6 12.3 133 133 A K H 3< S+ 0 0 165 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.925 110.4 29.9 -49.3 -54.6 32.1 8.8 13.0 134 134 A G T 3< S+ 0 0 77 -4,-0.6 2,-0.3 -3,-0.2 -1,-0.3 0.388 100.1 117.4 -88.0 4.1 30.0 11.9 12.1 135 135 A L S < S- 0 0 21 -3,-1.1 5,-0.1 -4,-0.3 -3,-0.1 -0.552 75.3-103.2 -85.4 137.5 32.6 13.2 9.6 136 136 A H - 0 0 120 -2,-0.3 2,-0.2 1,-0.1 -69,-0.0 0.636 54.5-129.7 -11.9-102.3 31.9 13.7 5.9 137 137 A G S S+ 0 0 32 3,-0.0 -1,-0.1 -70,-0.0 -3,-0.0 -0.761 71.1 92.2 151.8 165.1 33.5 10.8 4.0 138 138 A D S S+ 0 0 147 -2,-0.2 -2,-0.1 -71,-0.0 -71,-0.0 0.335 117.8 27.7 100.2 -0.4 35.8 9.4 1.2 139 139 A L 0 0 20 -72,-0.1 -3,-0.0 -44,-0.0 -40,-0.0 0.269 360.0 360.0-153.8 -30.9 38.8 9.4 3.5 140 140 A F 0 0 45 -5,-0.1 -5,-0.1 -8,-0.1 -4,-0.1 0.698 360.0 360.0 -96.7 360.0 37.1 9.0 6.9 141 ! 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 0.0 142 158 A D > 0 0 156 0, 0.0 4,-3.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.0 25.4 12.7 -1.2 143 159 A A H > + 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.821 360.0 49.0 -48.3 -45.8 22.2 14.9 -1.2 144 160 A E H > S+ 0 0 61 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.874 115.3 43.9 -67.5 -39.1 20.8 13.4 2.0 145 161 A Q H > S+ 0 0 118 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.841 112.0 53.1 -75.0 -35.0 24.1 13.8 3.9 146 162 A E H X S+ 0 0 123 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.978 109.5 50.7 -61.5 -49.6 24.6 17.3 2.5 147 163 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.817 108.3 50.1 -59.6 -36.2 21.1 18.1 3.8 148 164 A V H X S+ 0 0 15 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.950 110.4 51.5 -68.3 -44.9 21.8 16.8 7.3 149 165 A A H X S+ 0 0 52 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.924 107.6 51.9 -54.1 -48.2 25.0 18.9 7.4 150 166 A A H X S+ 0 0 30 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.937 111.6 47.5 -54.3 -47.8 23.1 22.0 6.4 151 167 A L H X>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 4,-0.8 0.803 110.1 51.2 -65.7 -33.5 20.6 21.4 9.2 152 168 A V H ><5S+ 0 0 54 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.916 108.0 53.9 -70.5 -39.8 23.4 20.7 11.7 153 169 A A H 3<5S+ 0 0 84 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.869 103.9 55.9 -59.9 -37.2 24.9 24.0 10.6 154 170 A L H 3<5S- 0 0 116 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.740 131.4 -90.4 -69.2 -22.4 21.6 25.8 11.3 155 171 A G T <<5S+ 0 0 64 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.382 82.5 131.6 129.1 -4.6 21.6 24.5 14.9 156 172 A Y < - 0 0 56 -5,-2.2 -1,-0.4 -8,-0.1 -2,-0.0 -0.442 62.5-108.2 -72.2 153.9 19.8 21.2 14.9 157 173 A K > - 0 0 122 -2,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.573 30.2-111.8 -82.0 146.0 21.6 18.3 16.7 158 174 A P H > S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.867 115.2 46.5 -44.4 -49.7 23.0 15.6 14.3 159 175 A Q H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.937 114.9 45.8 -64.0 -44.6 20.6 12.9 15.4 160 176 A E H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.850 111.6 53.0 -68.2 -32.2 17.5 15.1 15.1 161 177 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.864 108.0 50.6 -69.3 -34.3 18.7 16.4 11.8 162 178 A S H < S+ 0 0 55 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.824 108.3 54.0 -70.7 -30.6 19.0 12.8 10.6 163 179 A R H X S+ 0 0 172 -4,-1.5 4,-1.3 1,-0.2 3,-0.3 0.935 108.0 48.5 -66.1 -48.0 15.5 12.3 11.8 164 180 A M H X S+ 0 0 28 -4,-2.1 2,-1.2 1,-0.3 4,-0.8 0.869 108.5 55.1 -60.7 -41.1 14.2 15.3 9.7 165 181 A V H < S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.2 -17,-0.1 -0.586 105.6 52.9 -94.5 67.6 16.0 14.0 6.6 166 182 A S H 4 S+ 0 0 80 -2,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.087 96.6 60.6-160.0 -49.4 14.4 10.6 6.7 167 183 A K H < S+ 0 0 153 -4,-1.3 -2,-0.1 1,-0.2 -3,-0.1 0.846 126.1 19.1 -58.4 -40.0 10.7 11.4 6.9 168 184 A I S < S+ 0 0 62 -4,-0.8 2,-0.7 10,-0.1 -1,-0.2 0.337 88.6 138.2-113.8 3.7 10.9 13.2 3.5 169 185 A A + 0 0 25 -5,-0.1 -4,-0.1 1,-0.1 -25,-0.0 -0.318 27.9 179.5 -57.1 100.8 14.1 11.6 2.3 170 186 A R - 0 0 152 -2,-0.7 -1,-0.1 3,-0.1 8,-0.1 -0.854 25.8-129.9-112.7 100.0 13.4 10.9 -1.4 171 187 A P S S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.077 92.3 37.8 -45.4 139.8 16.3 9.3 -3.2 172 188 A D S S+ 0 0 150 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.886 94.6 115.7 79.4 43.6 17.1 11.0 -6.5 173 189 A A - 0 0 26 3,-0.0 -1,-0.2 4,-0.0 5,-0.1 -0.967 68.9 -98.5-150.2 131.4 16.4 14.5 -5.1 174 190 A S > - 0 0 61 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 0.078 25.7-124.3 -42.9 149.6 18.6 17.6 -4.5 175 191 A S H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.810 109.9 57.0 -67.3 -31.1 20.0 18.4 -1.1 176 192 A E H > S+ 0 0 135 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.918 106.2 46.2 -68.3 -45.4 18.4 21.9 -1.2 177 193 A T H > S+ 0 0 45 2,-0.2 4,-4.1 1,-0.2 5,-0.3 0.914 111.5 54.3 -66.2 -37.2 14.8 20.6 -1.7 178 194 A L H X S+ 0 0 8 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.915 111.4 44.5 -58.1 -44.4 15.5 18.1 1.1 179 195 A I H X S+ 0 0 34 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.912 116.3 46.8 -67.0 -42.1 16.5 21.0 3.3 180 196 A R H X S+ 0 0 114 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.959 116.9 43.0 -63.6 -49.4 13.5 23.0 2.1 181 197 A E H X S+ 0 0 78 -4,-4.1 4,-1.7 1,-0.2 -2,-0.2 0.910 115.3 49.1 -63.9 -43.4 11.1 20.1 2.6 182 198 A A H < S+ 0 0 4 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.812 113.4 45.9 -66.2 -34.0 12.7 19.1 6.0 183 199 A L H >< S+ 0 0 45 -4,-1.9 3,-0.7 -5,-0.2 4,-0.3 0.842 109.2 56.3 -78.2 -32.4 12.5 22.6 7.4 184 200 A R H >< S+ 0 0 163 -4,-2.0 3,-0.8 1,-0.3 2,-0.7 0.893 105.4 51.0 -65.9 -41.5 8.9 23.1 6.1 185 201 A A T 3< S+ 0 0 55 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 -0.320 109.2 50.4 -94.5 50.5 7.7 20.0 8.0 186 202 A A T < 0 0 53 -3,-0.7 -1,-0.2 -2,-0.7 -2,-0.2 0.246 360.0 360.0-160.3 -6.4 9.2 21.0 11.4 187 203 A L < 0 0 189 -3,-0.8 -3,-0.1 -4,-0.3 -2,-0.1 0.534 360.0 360.0-127.4 360.0 7.9 24.6 11.7