==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION/DNA 18-MAR-03 1O3S . COMPND 2 MOLECULE: 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.CHEN,R.H.EBRIGHT,H.M.BERMAN . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 75.0 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 . 52 26.0 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 . 1 0.5 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-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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 31.0 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 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 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 . 1 1 2 2 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 3 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 8 A D 0 0 102 0, 0.0 4,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.1 -41.2 52.2 7.9 2 9 A P > + 0 0 107 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.928 360.0 47.0 -71.4 -49.8 -41.3 55.9 8.8 3 10 A T H >> S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 3,-1.8 0.987 110.4 46.1 -59.2 -68.5 -38.3 56.3 11.2 4 11 A L H 3> S+ 0 0 22 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.711 109.0 59.5 -50.0 -22.7 -35.5 54.5 9.5 5 12 A E H 3> S+ 0 0 144 -4,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.867 105.6 47.2 -73.7 -36.5 -36.4 56.2 6.3 6 13 A W H << S+ 0 0 74 -3,-1.8 -2,-0.2 -4,-1.2 -1,-0.2 0.846 112.9 52.7 -68.9 -34.7 -35.8 59.5 8.1 7 14 A F H >< S+ 0 0 1 -4,-1.8 3,-3.1 2,-0.2 -2,-0.2 0.986 106.9 47.2 -63.5 -65.6 -32.5 58.0 9.3 8 15 A L H >< S+ 0 0 49 -4,-2.6 3,-4.6 1,-0.3 -2,-0.2 0.902 98.5 69.5 -45.4 -51.6 -31.0 56.9 6.0 9 16 A S T 3< S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.694 102.0 49.6 -42.6 -19.3 -31.8 60.2 4.5 10 17 A H T < S+ 0 0 62 -3,-3.1 2,-0.3 -4,-0.2 -1,-0.3 0.379 100.5 78.8-103.2 2.2 -29.0 61.4 6.8 11 18 A C S < S- 0 0 14 -3,-4.6 79,-0.2 -4,-0.2 2,-0.2 -0.859 74.7-129.0-113.2 145.7 -26.5 58.8 5.9 12 19 A H E -A 89 0A 136 77,-1.7 77,-2.1 -2,-0.3 2,-0.4 -0.530 30.5-131.2 -80.1 158.0 -24.2 58.6 2.9 13 20 A I E +A 88 0A 72 75,-0.2 2,-0.3 -2,-0.2 75,-0.2 -0.905 26.3 179.2-114.5 145.2 -24.4 55.2 1.1 14 21 A H E -A 87 0A 76 73,-1.4 73,-3.2 -2,-0.4 2,-0.4 -0.964 15.5-145.0-138.5 152.5 -21.4 53.1 0.2 15 22 A K E -A 86 0A 150 -2,-0.3 71,-0.2 71,-0.2 69,-0.1 -0.898 8.0-160.7-121.1 151.7 -21.2 49.8 -1.5 16 23 A Y E -A 85 0A 45 69,-1.9 69,-1.3 -2,-0.4 3,-0.1 -1.000 20.1-124.9-132.4 130.6 -18.6 47.1 -0.8 17 24 A P > - 0 0 93 0, 0.0 3,-1.9 0, 0.0 64,-0.3 -0.392 47.5 -83.4 -70.4 154.6 -17.9 44.2 -3.2 18 25 A S T 3 S+ 0 0 56 1,-0.2 64,-0.2 64,-0.1 66,-0.1 -0.193 116.5 26.4 -56.1 156.3 -18.2 40.8 -1.6 19 26 A K T 3 S+ 0 0 176 62,-3.2 -1,-0.2 1,-0.3 63,-0.1 0.221 95.6 120.5 73.5 -12.9 -15.1 39.6 0.3 20 27 A S < - 0 0 27 -3,-1.9 61,-3.0 60,-0.1 2,-0.6 -0.253 65.1-117.5 -75.2 170.5 -14.1 43.2 1.0 21 28 A T E +D 80 0B 56 59,-0.2 59,-0.2 1,-0.1 3,-0.1 -0.931 27.6 177.7-120.6 116.8 -13.7 44.5 4.6 22 29 A L E S+ 0 0 9 57,-1.3 2,-0.5 -2,-0.6 58,-0.1 0.843 73.8 36.3 -77.4 -43.4 -15.9 47.3 5.9 23 30 A I E S-D 79 0B 7 56,-1.3 56,-1.8 52,-0.0 2,-0.4 -0.976 70.7-150.1-122.2 129.9 -14.7 47.5 9.5 24 31 A H > - 0 0 100 -2,-0.5 3,-0.6 54,-0.2 51,-0.3 -0.806 22.8-123.0 -97.1 133.2 -11.1 47.0 10.6 25 32 A Q T 3 S+ 0 0 70 -2,-0.4 51,-0.2 1,-0.2 3,-0.1 -0.434 92.4 20.3 -75.4 149.0 -10.5 45.6 14.0 26 33 A G T 3 S+ 0 0 22 49,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.037 94.9 125.1 83.6 -28.4 -8.4 47.6 16.4 27 34 A E S < S- 0 0 126 -3,-0.6 48,-2.3 47,-0.1 -1,-0.3 -0.317 73.9 -89.4 -71.1 146.9 -9.0 50.7 14.5 28 35 A K B -G 74 0C 138 46,-0.2 2,-0.5 -3,-0.1 46,-0.2 -0.236 44.9-133.3 -53.8 136.2 -10.4 53.9 16.1 29 36 A A + 0 0 8 44,-2.4 44,-0.4 1,-0.1 43,-0.2 -0.843 50.2 132.4-105.0 129.3 -14.2 54.0 16.0 30 37 A E + 0 0 101 -2,-0.5 62,-2.3 1,-0.1 2,-0.3 0.348 55.6 73.7-148.2 -1.1 -16.3 57.0 14.9 31 38 A T E -B 91 0A 41 60,-0.3 2,-0.3 61,-0.1 60,-0.3 -0.916 59.2-143.6-126.4 151.3 -18.9 55.8 12.4 32 39 A L E -B 90 0A 1 58,-4.0 58,-1.8 -2,-0.3 2,-0.3 -0.850 15.9-152.8-110.5 144.1 -22.1 53.8 12.6 33 40 A Y E -BC 89 63A 24 30,-3.0 30,-2.6 -2,-0.3 2,-0.3 -0.898 14.0-176.8-121.5 151.5 -23.3 51.3 9.9 34 41 A Y E -BC 88 62A 30 54,-1.5 54,-2.0 -2,-0.3 2,-0.7 -0.916 28.8-130.5-142.9 110.3 -26.7 50.0 8.8 35 42 A I E +BC 87 61A 0 26,-3.0 25,-2.3 -2,-0.3 26,-0.5 -0.490 25.4 178.3 -70.5 108.0 -26.8 47.3 6.2 36 43 A V E S- 0 0 41 50,-1.3 2,-0.3 -2,-0.7 51,-0.2 0.798 72.9 -4.7 -76.6 -30.6 -29.2 48.4 3.5 37 44 A K E S+B 86 0A 126 49,-2.2 49,-2.3 -3,-0.1 -1,-0.3 -0.952 105.5 36.7-163.8 142.8 -28.6 45.3 1.4 38 45 A G S S- 0 0 5 -2,-0.3 2,-0.3 47,-0.2 47,-0.1 -0.241 70.5 -96.2 100.8 165.5 -26.3 42.3 1.5 39 46 A S - 0 0 22 45,-0.4 43,-2.3 19,-0.1 44,-1.5 -0.891 33.9-172.7-122.2 155.1 -25.0 40.1 4.3 40 47 A V E -EF 57 81B 0 17,-2.1 17,-1.4 -2,-0.3 2,-0.4 -0.758 17.9-125.0-134.5-178.8 -21.6 40.3 6.2 41 48 A A E -EF 56 80B 8 39,-2.5 39,-2.5 -2,-0.2 2,-0.5 -0.999 9.3-150.2-137.9 133.0 -19.6 38.4 8.8 42 49 A V E +EF 55 79B 24 13,-2.1 12,-1.9 -2,-0.4 13,-1.2 -0.877 31.5 169.8 -98.7 124.8 -18.2 39.6 12.1 43 50 A L E -EF 53 78B 2 35,-3.1 35,-3.0 -2,-0.5 2,-0.4 -0.994 29.4-153.6-146.6 150.8 -15.1 37.8 13.0 44 51 A I E -E 52 0B 56 8,-1.9 8,-1.9 -2,-0.4 2,-0.3 -0.909 20.4-145.6-115.9 144.7 -12.2 37.8 15.4 45 52 A K E -E 51 0B 80 -2,-0.4 6,-0.3 6,-0.2 2,-0.2 -0.721 9.7-125.4-109.5 159.0 -8.8 36.3 14.6 46 53 A D > - 0 0 35 4,-2.9 3,-2.3 -2,-0.3 -1,-0.0 -0.528 40.5 -93.5 -96.0 169.5 -6.3 34.5 16.8 47 54 A E T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.818 127.0 52.9 -48.3 -36.7 -2.6 35.5 17.1 48 55 A E T 3 S- 0 0 141 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.509 125.7 -97.3 -81.0 -8.5 -1.8 33.0 14.3 49 56 A G S < S+ 0 0 41 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.0 0.226 75.0 145.8 109.2 -13.1 -4.3 34.4 11.9 50 57 A K - 0 0 130 -5,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.297 37.9-140.0 -60.0 137.4 -7.1 31.8 12.6 51 58 A E E -E 45 0B 46 -6,-0.3 2,-0.4 -8,-0.0 -6,-0.2 -0.719 17.0-167.4-107.8 155.0 -10.6 33.2 12.4 52 59 A M E -E 44 0B 42 -8,-1.9 -8,-1.9 -2,-0.3 2,-0.7 -0.949 20.8-135.7-141.6 114.6 -13.8 32.7 14.4 53 60 A I E -E 43 0B 8 114,-3.4 -10,-0.2 -2,-0.4 3,-0.1 -0.608 19.9-179.4 -77.2 109.4 -17.2 33.9 13.1 54 61 A L E - 0 0 53 -12,-1.9 2,-0.3 -2,-0.7 -1,-0.2 0.710 65.1 -38.7 -78.6 -21.6 -19.1 35.6 15.9 55 62 A S E -E 42 0B 33 -13,-1.2 -13,-2.1 -3,-0.1 2,-0.3 -0.984 46.1-116.3 175.4 172.9 -22.0 36.2 13.7 56 63 A Y E -E 41 0B 47 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.935 30.0-160.4-126.0 148.4 -23.5 37.1 10.3 57 64 A L E -E 40 0B 11 -17,-1.4 -17,-2.1 -2,-0.3 2,-0.2 -0.965 10.7-179.6-133.1 155.2 -25.6 40.3 9.9 58 65 A N > - 0 0 72 -2,-0.3 3,-1.4 1,-0.3 -23,-0.3 -0.634 40.0 -24.1-137.1-167.7 -28.1 41.3 7.2 59 66 A Q T 3 S+ 0 0 97 1,-0.3 -1,-0.3 -2,-0.2 -23,-0.2 -0.067 125.3 20.7 -41.6 137.6 -30.6 43.9 5.9 60 67 A G T 3 S+ 0 0 24 -25,-2.3 2,-0.4 1,-0.2 -1,-0.3 0.707 96.8 127.4 71.3 18.2 -31.8 46.2 8.6 61 68 A D E < -C 35 0A 33 -3,-1.4 -26,-3.0 -26,-0.5 -1,-0.2 -0.884 51.5-138.8-108.9 142.5 -28.8 45.4 10.8 62 69 A F E -C 34 0A 1 -2,-0.4 2,-0.3 -28,-0.3 -28,-0.3 -0.628 20.3-171.3 -92.5 155.3 -26.5 48.0 12.4 63 70 A I E +C 33 0A 6 -30,-2.6 -30,-3.0 -2,-0.2 16,-0.0 -0.958 61.4 29.3-141.0 161.7 -22.7 47.6 12.6 64 71 A G S S+ 0 0 12 -2,-0.3 3,-0.4 -32,-0.2 -1,-0.1 0.809 78.6 127.2 60.3 28.9 -19.9 49.4 14.3 65 72 A E > + 0 0 15 1,-0.2 3,-1.6 2,-0.1 4,-0.1 0.641 45.1 82.0 -91.4 -13.8 -22.2 50.4 17.0 66 73 A L T 3 S+ 0 0 94 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.648 89.4 51.6 -68.7 -14.6 -20.2 49.2 20.0 67 74 A G T > S+ 0 0 5 -3,-0.4 3,-0.5 1,-0.2 -1,-0.3 0.240 82.7 95.8-104.3 15.1 -18.0 52.2 20.1 68 75 A L T < S+ 0 0 6 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.519 79.6 52.0 -82.1 -4.0 -20.8 54.7 20.1 69 76 A F T 3 S+ 0 0 116 -3,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.443 107.3 39.7-116.3 3.4 -21.0 55.2 23.9 70 77 A E S < S- 0 0 133 -3,-0.5 -1,-0.2 -4,-0.0 0, 0.0 -0.779 81.6-117.2-158.0 107.9 -17.5 56.0 25.0 71 78 A E S S+ 0 0 137 -2,-0.3 -41,-0.1 -3,-0.1 -3,-0.1 0.093 95.1 28.1 -38.7 147.5 -14.9 58.3 23.3 72 79 A G S S+ 0 0 67 -43,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.987 83.1 153.3 55.2 77.1 -11.7 56.6 22.1 73 80 A Q - 0 0 61 -44,-0.4 -44,-2.4 -6,-0.1 2,-0.3 -0.967 34.3-135.5-133.5 145.1 -13.0 53.1 21.6 74 81 A E B -G 28 0C 138 -2,-0.3 -46,-0.2 -46,-0.2 -47,-0.1 -0.779 30.0 -92.5-109.9 153.6 -11.6 50.6 19.2 75 82 A R - 0 0 25 -48,-2.3 -49,-2.0 -2,-0.3 -1,-0.1 -0.340 31.7-148.4 -55.5 133.6 -13.4 48.3 16.7 76 83 A S - 0 0 75 -51,-0.2 2,-0.3 -50,-0.1 -1,-0.2 0.554 67.8 -6.9 -86.6 -7.4 -14.0 45.0 18.5 77 84 A A S S- 0 0 5 -53,-0.1 2,-0.3 -33,-0.1 -33,-0.2 -0.969 76.7 -81.2-167.9-179.4 -13.7 42.8 15.4 78 85 A W E - F 0 43B 66 -35,-3.0 -35,-3.1 -2,-0.3 2,-0.4 -0.734 31.4-159.1 -96.0 149.6 -13.4 42.5 11.7 79 86 A V E -DF 23 42B 6 -56,-1.8 -56,-1.3 -2,-0.3 -57,-1.3 -0.968 12.9-176.0-133.1 113.4 -16.4 42.8 9.5 80 87 A R E -DF 21 41B 69 -39,-2.5 -39,-2.5 -2,-0.4 2,-0.4 -0.886 29.2-111.1-114.5 141.1 -16.1 41.3 6.0 81 88 A A E - F 0 40B 4 -61,-3.0 -62,-3.2 -2,-0.4 -41,-0.3 -0.578 21.7-170.4 -76.5 126.1 -18.7 41.4 3.2 82 89 A K S S+ 0 0 80 -43,-2.3 2,-0.2 -2,-0.4 -42,-0.2 0.814 76.1 2.6 -81.6 -33.8 -20.3 38.0 2.5 83 90 A T S S- 0 0 65 -44,-1.5 -67,-0.1 1,-0.3 -64,-0.1 -0.788 108.2 -54.5-139.0 179.9 -22.0 39.3 -0.7 84 91 A A - 0 0 70 -2,-0.2 -45,-0.4 -66,-0.1 2,-0.4 -0.201 67.8-150.5 -50.9 160.4 -22.2 42.6 -2.6 85 92 A C E -A 16 0A 7 -69,-1.3 -69,-1.9 -47,-0.1 2,-0.6 -0.960 29.7-167.6-150.5 132.4 -23.2 45.2 -0.1 86 93 A E E +AB 15 37A 66 -49,-2.3 -49,-2.2 -2,-0.4 -50,-1.3 -0.975 28.1 179.9-112.4 119.5 -25.1 48.5 0.1 87 94 A V E -AB 14 35A 0 -73,-3.2 -73,-1.4 -2,-0.6 -52,-0.2 -0.956 22.8-141.8-133.0 119.6 -24.4 50.1 3.5 88 95 A A E -AB 13 34A 0 -54,-2.0 -54,-1.5 -2,-0.4 2,-0.4 -0.379 24.7-163.1 -70.4 151.8 -25.6 53.4 5.0 89 96 A E E +AB 12 33A 24 -77,-2.1 -77,-1.7 -56,-0.2 2,-0.3 -0.997 16.8 164.3-146.2 140.2 -23.1 55.2 7.1 90 97 A I E - B 0 32A 11 -58,-1.8 -58,-4.0 -2,-0.4 2,-0.3 -0.972 35.9-106.4-149.3 156.0 -23.3 58.0 9.6 91 98 A S E > - B 0 31A 49 -2,-0.3 4,-4.3 -60,-0.3 -60,-0.3 -0.610 24.1-125.9 -86.8 146.3 -21.0 59.5 12.2 92 99 A Y H > S+ 0 0 6 -62,-2.3 4,-4.3 -2,-0.3 5,-0.4 0.982 115.1 52.3 -50.3 -60.0 -21.6 58.9 15.9 93 100 A K H > S+ 0 0 151 -63,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.869 115.2 40.8 -40.0 -52.1 -21.5 62.6 16.4 94 101 A K H >> S+ 0 0 66 2,-0.2 4,-1.4 1,-0.2 3,-0.7 0.969 117.3 49.0 -62.9 -53.2 -24.1 63.0 13.6 95 102 A F H 3X S+ 0 0 0 -4,-4.3 4,-2.0 1,-0.3 -2,-0.2 0.908 103.7 58.8 -53.3 -49.7 -26.0 60.0 14.9 96 103 A R H 3X S+ 0 0 78 -4,-4.3 4,-1.8 -5,-0.2 -1,-0.3 0.862 102.2 57.4 -51.3 -36.5 -26.1 61.2 18.5 97 104 A Q H XX S+ 0 0 114 -4,-1.2 4,-1.8 -3,-0.7 3,-1.1 0.994 103.5 49.8 -57.4 -66.5 -27.8 64.3 17.2 98 105 A L H 3X S+ 0 0 6 -4,-1.4 4,-3.1 1,-0.3 -1,-0.2 0.818 104.8 61.2 -37.1 -46.4 -30.7 62.2 15.7 99 106 A I H 3< S+ 0 0 22 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.941 106.1 44.8 -48.2 -55.7 -31.0 60.4 19.0 100 107 A Q H << S+ 0 0 160 -4,-1.8 -1,-0.3 -3,-1.1 -2,-0.2 0.841 114.1 50.3 -61.7 -33.4 -31.8 63.7 20.8 101 108 A V H < S+ 0 0 108 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.998 134.7 3.0 -65.0 -65.2 -34.2 64.6 18.0 102 109 A N >< - 0 0 51 -4,-3.1 3,-0.7 1,-0.1 4,-0.4 -0.985 61.7-164.9-123.7 123.4 -36.1 61.3 18.1 103 110 A P T >> S+ 0 0 84 0, 0.0 4,-1.7 0, 0.0 3,-0.9 0.770 76.3 86.9 -77.2 -26.2 -35.1 58.6 20.8 104 111 A D H 3> S+ 0 0 66 1,-0.3 4,-1.0 2,-0.2 -5,-0.1 0.786 84.4 57.0 -43.1 -34.7 -37.0 55.9 18.9 105 112 A I H X> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 3,-0.8 0.930 102.9 50.5 -68.9 -44.1 -33.9 55.2 16.8 106 113 A L H <> S+ 0 0 49 -3,-0.9 4,-2.7 -4,-0.4 -1,-0.2 0.841 106.9 58.6 -60.8 -29.2 -31.6 54.5 19.8 107 114 A M H 3X S+ 0 0 131 -4,-1.7 4,-1.3 1,-0.2 -1,-0.3 0.814 105.1 48.8 -69.2 -31.0 -34.4 52.2 20.8 108 115 A R H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 3,-1.0 0.992 111.1 50.0 -62.3 -62.9 -30.1 50.1 18.0 110 117 A S H 3X S+ 0 0 47 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.817 105.1 57.7 -45.2 -43.0 -30.4 48.9 21.6 111 118 A A H 3X S+ 0 0 43 -4,-1.3 4,-2.9 1,-0.2 -1,-0.3 0.924 108.4 46.3 -57.3 -43.7 -32.8 46.1 20.6 112 119 A Q H X S+ 0 0 136 -4,-2.0 4,-2.5 1,-0.2 3,-0.6 0.992 111.1 42.1 -58.3 -61.9 -28.6 36.7 23.7 119 126 A V H 3X S+ 0 0 53 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.842 113.4 52.4 -55.8 -37.6 -27.2 34.7 20.8 120 127 A T H 3X S+ 0 0 52 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.847 111.4 47.4 -68.7 -32.0 -23.5 35.4 21.7 121 128 A S H - 0 0 110 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.387 38.0 -93.5 -87.3 170.8 -19.2 18.7 21.4 132 139 A V H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 127.7 54.4 -58.0 -34.1 -18.1 19.7 17.9 133 140 A T H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.951 111.3 46.3 -63.3 -46.7 -20.5 17.1 16.4 134 141 A G H > S+ 0 0 21 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.890 112.9 48.9 -60.8 -43.1 -23.3 18.7 18.4 135 142 A R H X S+ 0 0 27 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.869 115.1 43.8 -66.0 -39.8 -22.2 22.2 17.4 136 143 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.942 110.0 55.0 -71.2 -47.0 -21.9 21.3 13.7 137 144 A A H X S+ 0 0 37 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.786 111.2 47.7 -55.2 -27.6 -25.2 19.4 13.7 138 145 A Q H X S+ 0 0 67 -4,-1.1 4,-2.0 -5,-0.2 -1,-0.2 0.828 108.7 51.9 -83.8 -34.0 -26.8 22.5 15.0 139 146 A T H X S+ 0 0 16 -4,-1.4 4,-3.4 -3,-0.3 5,-0.3 0.905 108.3 51.2 -67.8 -43.0 -25.2 24.9 12.5 140 147 A L H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.870 110.7 49.9 -61.5 -36.7 -26.4 22.7 9.6 141 148 A L H < S+ 0 0 84 -4,-0.9 4,-0.4 -5,-0.3 -1,-0.2 0.913 114.4 44.1 -66.9 -44.9 -29.9 22.8 11.0 142 149 A N H >< S+ 0 0 94 -4,-2.0 3,-1.2 1,-0.2 4,-0.4 0.930 115.7 46.0 -66.8 -48.9 -29.8 26.6 11.4 143 150 A L H >< S+ 0 0 15 -4,-3.4 3,-1.4 1,-0.3 -2,-0.2 0.867 104.9 61.3 -62.8 -38.5 -28.3 27.2 8.0 144 151 A A T 3< S+ 0 0 9 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.691 107.4 48.1 -63.0 -14.0 -30.8 24.8 6.4 145 152 A K T < S+ 0 0 161 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.453 88.0 102.7-104.0 -7.1 -33.4 27.2 7.7 146 153 A Q S X S- 0 0 69 -3,-1.4 3,-1.1 -4,-0.4 -3,-0.0 -0.206 87.6-102.1 -70.3 171.8 -32.0 30.5 6.5 147 154 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.738 115.3 61.6 -68.4 -23.0 -33.4 32.2 3.4 148 155 A D T 3 S+ 0 0 118 -5,-0.1 2,-0.3 2,-0.1 -4,-0.1 0.350 76.3 112.4 -88.2 9.2 -30.6 31.1 1.0 149 156 A A < - 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0 0 17 34,-2.3 2,-0.1 -2,-0.4 -2,-0.1 -0.982 48.4-108.9-160.0 146.9 -20.7 26.1 2.4 161 168 A T > - 0 0 43 -2,-0.3 4,-1.4 1,-0.1 5,-0.2 -0.367 26.1-124.5 -75.9 156.5 -16.9 25.2 2.7 162 169 A R H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.801 109.2 67.1 -70.6 -25.5 -15.7 23.1 5.6 163 170 A Q H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.943 103.7 44.2 -56.7 -50.5 -13.3 25.9 6.5 164 171 A E H > S+ 0 0 31 2,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.862 107.3 55.5 -63.1 -42.3 -16.2 28.0 7.5 165 172 A I H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 3,-0.4 0.886 110.7 49.8 -61.0 -30.6 -18.1 25.3 9.4 166 173 A G H X>S+ 0 0 3 -4,-1.9 5,-1.6 1,-0.2 4,-1.1 0.903 110.1 49.0 -70.6 -38.1 -14.8 25.2 11.2 167 174 A Q H <5S+ 0 0 35 -4,-1.7 -114,-3.4 3,-0.2 -1,-0.2 0.484 114.4 46.8 -78.1 -6.7 -14.8 28.9 11.7 168 175 A I H <5S+ 0 0 19 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.2 0.837 120.9 30.7-101.0 -48.0 -18.4 28.9 13.0 169 176 A V H <5S- 0 0 5 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.1 0.564 110.1-112.8 -88.9 -8.2 -18.4 26.0 15.5 170 177 A G T <5S+ 0 0 41 -4,-1.1 2,-0.2 -5,-0.3 -3,-0.2 0.866 76.8 106.4 83.1 35.9 -14.8 26.5 16.5 171 178 A C S > - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 3,-1.6 -0.833 30.6-114.3-111.6 150.6 -10.7 22.7 12.3 173 180 A R H 3> S+ 0 0 146 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.806 118.7 56.4 -42.7 -41.0 -11.5 22.0 8.7 174 181 A D H 3> S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.841 109.0 43.5 -64.1 -37.0 -10.1 18.6 9.3 175 182 A T H <> S+ 0 0 46 -3,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.894 110.3 55.8 -78.1 -36.7 -12.5 17.8 12.1 176 183 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.980 109.8 46.4 -54.1 -60.5 -15.5 19.3 10.2 177 184 A G H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.877 111.9 49.4 -49.3 -50.0 -14.9 17.0 7.3 178 185 A R H X S+ 0 0 140 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.924 114.1 47.0 -56.7 -46.6 -14.4 13.9 9.4 179 186 A I H X S+ 0 0 16 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.862 108.4 56.4 -62.4 -39.6 -17.7 14.8 11.3 180 187 A L H X S+ 0 0 2 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.866 104.0 51.8 -63.2 -37.7 -19.4 15.4 7.9 181 188 A K H X S+ 0 0 126 -4,-2.1 4,-3.6 -5,-0.2 -1,-0.2 0.939 110.4 50.4 -65.8 -42.5 -18.6 11.9 6.7 182 189 A M H X S+ 0 0 84 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.914 106.3 52.7 -57.6 -50.5 -20.1 10.4 10.0 183 190 A L H <>S+ 0 0 11 -4,-2.4 5,-2.9 2,-0.2 6,-1.3 0.834 116.2 40.9 -58.3 -33.0 -23.3 12.4 9.7 184 191 A E H ><5S+ 0 0 72 -4,-1.4 3,-3.5 4,-0.2 -2,-0.2 0.929 107.2 61.5 -77.2 -46.6 -23.7 11.0 6.2 185 192 A D H 3<5S+ 0 0 141 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.754 107.3 48.5 -47.0 -25.6 -22.5 7.6 7.4 186 193 A Q T 3<5S- 0 0 101 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 -0.077 116.7-116.2-106.0 29.7 -25.6 7.9 9.6 187 194 A N T < 5S+ 0 0 139 -3,-3.5 -3,-0.2 1,-0.2 -2,-0.1 0.777 86.1 118.4 39.1 33.4 -27.9 8.9 6.7 188 195 A L S S-J 195 0D 138 3,-2.5 3,-2.2 -2,-0.4 2,-0.1 -0.915 70.2 -56.6-138.0 104.3 -20.4 16.3 -1.9 193 200 A G T 3 S- 0 0 46 -2,-0.4 -33,-0.1 1,-0.3 -1,-0.1 -0.357 122.2 -11.3 60.6-129.9 -17.8 19.1 -1.6 194 201 A K T 3 S+ 0 0 119 -2,-0.1 -34,-2.3 -3,-0.1 2,-0.5 0.505 119.1 94.5 -81.2 -4.6 -19.4 22.4 -0.6 195 202 A T E < +IJ 159 192D 45 -3,-2.2 -3,-2.5 -36,-0.2 2,-0.4 -0.772 48.8 173.5 -97.8 133.0 -22.9 21.0 -1.2 196 203 A I E -IJ 158 191D 1 -38,-2.4 -38,-3.3 -2,-0.5 2,-0.6 -0.991 19.0-158.8-139.7 129.1 -24.9 19.5 1.7 197 204 A V E -IJ 157 190D 8 -7,-2.3 -7,-1.1 -2,-0.4 2,-0.9 -0.926 14.6-149.7-104.5 120.0 -28.4 18.3 1.8 198 205 A V E -IJ 156 189D 15 -42,-3.8 -42,-2.1 -2,-0.6 -9,-0.2 -0.846 22.6-133.3 -93.2 110.5 -29.7 18.2 5.3 199 206 A Y E I 155 0D 93 -11,-1.2 -44,-0.3 -2,-0.9 -45,-0.0 -0.329 360.0 360.0 -65.4 144.1 -32.3 15.4 5.3 200 207 A G 0 0 128 -46,-1.9 -1,-0.0 -2,-0.1 -2,-0.0 -0.998 360.0 360.0 148.0 360.0 -35.7 15.9 6.9