==== 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 1O3R . COMPND 2 MOLECULE: 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.CHEN,J.VOJTECHOVSKY,G.N.PARKINSON,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) . 11707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 76.0 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 . 51 25.5 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 . 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 . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 32.5 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 0 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 1 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 88 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 159.0 11.4 -9.5 32.8 2 9 A P H 3> + 0 0 109 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.951 360.0 56.1 -60.5 -55.0 8.1 -7.6 32.8 3 10 A T H 3> S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.533 99.8 67.8 -59.7 -2.7 9.0 -4.6 35.0 4 11 A L H <> S+ 0 0 30 -3,-1.0 4,-3.6 2,-0.2 5,-0.4 0.972 96.5 45.2 -81.2 -63.1 11.9 -3.9 32.6 5 12 A E H X S+ 0 0 130 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.829 115.5 54.6 -47.7 -30.9 10.0 -2.9 29.4 6 13 A W H < S+ 0 0 71 -4,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.984 111.9 38.9 -66.4 -58.9 8.0 -0.8 31.8 7 14 A F H >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.937 118.3 50.4 -55.5 -50.4 10.9 1.0 33.4 8 15 A L H >< S+ 0 0 45 -4,-3.6 3,-2.2 1,-0.3 -1,-0.2 0.888 99.6 65.2 -55.3 -42.5 12.6 1.2 30.0 9 16 A S T 3< S+ 0 0 81 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 0.633 101.9 50.7 -55.3 -18.2 9.4 2.6 28.5 10 17 A H T < S+ 0 0 65 -3,-1.9 2,-0.3 -4,-0.5 -1,-0.3 0.062 97.0 91.3-109.5 21.7 9.8 5.7 30.8 11 18 A C S < S- 0 0 23 -3,-2.2 2,-0.5 79,-0.1 79,-0.2 -0.818 74.3-121.8-119.5 157.6 13.4 6.5 29.8 12 19 A H E -A 89 0A 132 77,-3.3 77,-3.0 -2,-0.3 2,-0.5 -0.829 31.5-141.5 -91.0 126.6 15.2 8.6 27.3 13 20 A I E -A 88 0A 81 -2,-0.5 2,-0.3 75,-0.2 75,-0.2 -0.829 25.9-179.7 -93.5 129.1 17.5 6.3 25.3 14 21 A H E -A 87 0A 74 73,-3.5 73,-2.4 -2,-0.5 2,-0.4 -0.888 18.2-141.7-124.9 157.6 20.8 7.8 24.4 15 22 A K E -A 86 0A 148 -2,-0.3 71,-0.2 71,-0.2 69,-0.0 -0.909 11.8-171.6-119.7 147.5 23.8 6.7 22.5 16 23 A Y E -A 85 0A 39 69,-1.5 69,-2.3 -2,-0.4 3,-0.1 -0.977 20.5-131.9-138.2 121.4 27.5 7.3 23.4 17 24 A P > - 0 0 90 0, 0.0 3,-1.6 0, 0.0 64,-0.3 -0.327 44.0 -80.0 -70.9 158.4 30.3 6.4 21.1 18 25 A S T 3 S+ 0 0 52 1,-0.2 64,-0.2 64,-0.1 65,-0.1 -0.012 116.3 27.5 -49.4 162.8 33.3 4.6 22.5 19 26 A K T 3 S+ 0 0 179 62,-2.4 -1,-0.2 1,-0.2 63,-0.1 0.443 97.8 123.5 60.1 2.9 35.9 6.6 24.4 20 27 A S < - 0 0 27 -3,-1.6 61,-2.7 63,-0.2 2,-0.6 -0.377 62.5-109.8 -94.0 171.5 33.2 9.2 25.4 21 28 A T E +D 80 0B 50 59,-0.2 59,-0.2 1,-0.2 3,-0.1 -0.856 31.2 167.5-108.0 118.1 32.0 10.6 28.8 22 29 A L E S+ 0 0 8 57,-1.8 2,-0.4 -2,-0.6 -1,-0.2 0.858 75.7 25.5 -88.2 -41.4 28.6 9.8 30.2 23 30 A I E -D 79 0B 7 56,-1.5 56,-2.1 6,-0.0 2,-0.4 -0.979 68.1-150.9-129.9 139.7 29.2 11.2 33.7 24 31 A H > - 0 0 68 -2,-0.4 3,-1.3 54,-0.2 51,-0.3 -0.903 27.5-111.4-109.9 136.7 31.6 13.8 35.0 25 32 A Q T 3 S+ 0 0 73 -2,-0.4 51,-0.2 1,-0.2 3,-0.1 -0.288 96.6 16.1 -62.3 144.4 33.0 13.8 38.4 26 33 A G T 3 S+ 0 0 31 49,-2.8 -1,-0.2 1,-0.2 2,-0.1 0.336 91.3 125.7 78.1 -9.8 31.8 16.5 40.7 27 34 A E S < S- 0 0 110 -3,-1.3 48,-2.6 1,-0.1 -1,-0.2 -0.450 73.9 -84.6 -84.4 160.7 28.7 17.7 38.8 28 35 A K B -G 74 0C 145 46,-0.2 2,-0.5 -2,-0.1 46,-0.2 -0.413 45.1-140.3 -62.3 127.0 25.2 17.9 40.2 29 36 A A + 0 0 9 44,-2.7 44,-0.4 -2,-0.2 43,-0.1 -0.824 47.3 137.1 -95.8 126.2 23.6 14.5 39.9 30 37 A E + 0 0 106 -2,-0.5 62,-3.0 42,-0.1 63,-0.4 0.292 54.9 75.2-144.6 0.2 19.9 14.4 38.8 31 38 A T E -B 91 0A 41 60,-0.2 2,-0.4 61,-0.1 60,-0.2 -0.883 59.1-149.4-123.1 152.1 19.8 11.6 36.3 32 39 A L E -B 90 0A 0 58,-3.3 58,-1.8 -2,-0.3 2,-0.3 -0.915 15.7-154.9-116.6 144.6 19.9 7.8 36.5 33 40 A Y E -BC 89 63A 22 30,-3.2 30,-2.4 -2,-0.4 2,-0.4 -0.883 11.3-170.7-121.7 155.8 21.4 5.6 33.8 34 41 A Y E -BC 88 62A 26 54,-2.2 54,-3.3 -2,-0.3 2,-0.8 -0.964 26.2-129.8-142.5 118.2 20.8 2.0 32.8 35 42 A I E +B 87 0A 0 26,-3.3 25,-2.2 -2,-0.4 26,-0.4 -0.618 27.9 174.8 -76.5 111.2 23.1 0.4 30.3 36 43 A V E S- 0 0 37 50,-2.2 2,-0.3 -2,-0.8 51,-0.2 0.791 72.9 -6.6 -82.1 -33.4 20.9 -1.1 27.6 37 44 A K E S+B 86 0A 107 49,-1.5 49,-2.6 -3,-0.1 -1,-0.4 -0.932 105.1 36.8-164.7 140.6 23.9 -2.2 25.5 38 45 A G S S- 0 0 5 -2,-0.3 2,-0.4 47,-0.2 21,-0.2 -0.354 70.9 -85.4 106.3 173.9 27.7 -1.6 25.6 39 46 A S - 0 0 33 45,-0.4 43,-2.8 19,-0.2 44,-1.8 -0.961 34.3-175.2-125.6 140.6 30.4 -1.4 28.3 40 47 A V E -EF 57 81B 0 17,-2.4 17,-2.0 -2,-0.4 2,-0.4 -0.773 17.3-132.2-126.2 172.3 31.6 1.6 30.3 41 48 A A E -EF 56 80B 6 39,-3.5 39,-2.9 -2,-0.3 2,-0.6 -0.987 8.2-147.4-129.3 137.3 34.4 2.3 32.8 42 49 A V E +EF 55 79B 21 13,-2.9 12,-2.9 -2,-0.4 13,-1.1 -0.924 30.0 174.7-102.3 117.5 34.1 4.0 36.1 43 50 A L E -EF 53 78B 1 35,-2.6 35,-2.9 -2,-0.6 2,-0.3 -0.939 22.1-163.4-131.5 153.9 37.2 6.0 37.0 44 51 A I E -E 52 0B 56 8,-1.7 8,-2.2 -2,-0.3 2,-0.3 -0.802 19.8-141.9-120.4 165.2 38.6 8.4 39.7 45 52 A K E -E 51 0B 83 -2,-0.3 2,-0.2 6,-0.2 6,-0.2 -0.898 8.4-134.6-134.3 162.0 41.6 10.7 39.4 46 53 A D > - 0 0 43 4,-1.5 3,-0.5 -2,-0.3 6,-0.0 -0.567 47.8 -94.3-100.9 171.0 44.6 12.1 41.3 47 54 A E T 3 S+ 0 0 165 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.829 126.1 53.7 -55.5 -34.3 45.5 15.8 41.1 48 55 A E T 3 S- 0 0 136 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.846 120.6-104.3 -71.3 -35.6 47.9 15.0 38.4 49 56 A G < + 0 0 39 -3,-0.5 2,-0.2 1,-0.3 -2,-0.1 0.323 67.4 147.5 125.0 -5.7 45.4 13.2 36.1 50 57 A K - 0 0 140 1,-0.1 -4,-1.5 -5,-0.0 -1,-0.3 -0.460 40.8-139.2 -61.6 129.7 46.4 9.6 36.7 51 58 A E E -E 45 0B 41 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.655 15.7-161.2 -98.3 154.3 43.2 7.5 36.5 52 59 A M E -E 44 0B 37 -8,-2.2 -8,-1.7 -2,-0.2 2,-0.3 -0.918 14.5-142.3-135.9 105.9 42.1 4.6 38.6 53 60 A I E +E 43 0B 10 114,-2.4 -10,-0.3 -2,-0.4 3,-0.1 -0.510 18.1 180.0 -70.8 129.9 39.4 2.3 37.2 54 61 A L E - 0 0 51 -12,-2.9 2,-0.3 1,-0.4 -1,-0.2 0.576 65.5 -21.0-101.7 -20.8 37.0 1.2 40.0 55 62 A S E -E 42 0B 34 -13,-1.1 -13,-2.9 2,-0.0 -1,-0.4 -0.968 50.1-127.8-177.3 165.2 34.9 -0.9 37.9 56 63 A Y E -E 41 0B 44 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.834 30.4-156.0-117.7 156.3 33.7 -1.7 34.4 57 64 A L E -E 40 0B 11 -17,-2.0 -17,-2.4 -2,-0.3 2,-0.2 -0.997 11.6-177.5-141.2 147.3 29.9 -1.9 33.8 58 65 A N > - 0 0 61 -2,-0.3 3,-2.2 1,-0.3 -23,-0.3 -0.591 41.5 -37.3-131.0-171.4 27.7 -3.6 31.3 59 66 A Q T 3 S+ 0 0 126 1,-0.3 -1,-0.3 -21,-0.2 -23,-0.2 -0.093 124.0 29.8 -46.3 149.6 24.3 -4.3 29.9 60 67 A G T 3 S+ 0 0 27 -25,-2.2 2,-0.4 1,-0.2 -1,-0.3 0.511 94.6 122.2 75.9 1.9 21.9 -4.5 32.7 61 68 A D < - 0 0 35 -3,-2.2 -26,-3.3 -26,-0.4 2,-0.3 -0.800 54.2-140.0-103.6 143.3 23.8 -2.1 35.0 62 69 A F E -C 34 0A 1 -2,-0.4 2,-0.3 -28,-0.3 -28,-0.3 -0.662 19.7-166.1 -89.3 152.3 22.5 1.1 36.5 63 70 A I E +C 33 0A 5 -30,-2.4 -30,-3.2 -2,-0.3 16,-0.0 -0.965 64.9 27.5-135.7 152.5 24.9 4.1 36.5 64 71 A G S S+ 0 0 13 -2,-0.3 3,-0.2 -32,-0.2 -1,-0.1 0.795 75.7 129.3 68.1 30.4 24.7 7.4 38.5 65 72 A E > + 0 0 12 1,-0.2 3,-1.5 -3,-0.1 4,-0.1 0.676 52.6 75.9 -87.5 -19.6 22.6 5.8 41.2 66 73 A L G > S+ 0 0 85 1,-0.3 3,-0.7 2,-0.1 4,-0.3 0.810 91.7 51.9 -65.5 -31.2 24.7 7.1 44.1 67 74 A G G 3 S+ 0 0 7 1,-0.2 6,-0.3 -3,-0.2 -1,-0.3 0.272 88.8 87.9 -89.2 13.1 23.4 10.6 43.9 68 75 A L G < S+ 0 0 6 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.1 0.503 83.4 50.1 -87.9 -6.2 19.8 9.4 44.1 69 76 A F S < S+ 0 0 109 -3,-0.7 2,-0.4 1,-0.2 -1,-0.1 0.753 103.0 46.5-110.1 -22.7 19.4 9.3 47.8 70 77 A E S S- 0 0 129 -4,-0.3 -1,-0.2 1,-0.0 3,-0.1 -0.984 88.2-105.0-126.8 128.8 20.6 12.6 49.3 71 78 A E S S+ 0 0 167 -2,-0.4 -2,-0.1 1,-0.2 -3,-0.1 -0.021 97.0 12.6 -46.3 146.3 19.6 16.0 48.0 72 79 A G S S+ 0 0 67 1,-0.2 2,-0.3 -43,-0.1 -1,-0.2 0.944 85.3 164.8 46.2 67.1 22.2 18.0 46.1 73 80 A Q - 0 0 53 -44,-0.4 -44,-2.7 -6,-0.3 2,-0.3 -0.799 27.6-134.9-111.7 154.1 24.7 15.3 45.6 74 81 A E B -G 28 0C 132 -2,-0.3 -46,-0.2 -46,-0.2 -47,-0.1 -0.805 30.8 -92.8-111.5 151.3 27.6 15.3 43.1 75 82 A R - 0 0 23 -48,-2.6 -49,-2.8 -2,-0.3 -1,-0.1 -0.343 32.1-150.5 -57.3 136.9 28.8 12.6 40.7 76 83 A S + 0 0 71 -51,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.524 67.3 3.6 -91.2 -6.7 31.5 10.6 42.5 77 84 A A S S- 0 0 5 -53,-0.2 2,-0.3 -33,-0.1 -33,-0.2 -0.988 77.4 -90.6-166.4 168.7 33.5 9.6 39.5 78 85 A W E - F 0 43B 69 -35,-2.9 -35,-2.6 -2,-0.3 2,-0.4 -0.657 33.0-159.5 -87.1 148.3 34.0 9.8 35.8 79 86 A V E -DF 23 42B 8 -56,-2.1 -57,-1.8 -2,-0.3 -56,-1.5 -0.990 15.1-179.7-129.9 121.5 32.1 7.2 33.7 80 87 A R E -DF 21 41B 64 -39,-2.9 -39,-3.5 -2,-0.4 2,-0.4 -0.916 29.4-106.9-125.0 150.0 33.5 6.7 30.2 81 88 A A E - F 0 40B 3 -61,-2.7 -62,-2.4 -2,-0.3 -41,-0.3 -0.636 20.6-172.5 -84.1 129.0 32.5 4.4 27.4 82 89 A K S S+ 0 0 83 -43,-2.8 -42,-0.2 -2,-0.4 2,-0.2 0.831 79.8 2.3 -82.5 -38.9 34.6 1.4 26.6 83 90 A T S S- 0 0 60 -44,-1.8 -63,-0.2 1,-0.1 2,-0.1 -0.571 107.6 -57.8-130.4-166.5 32.6 0.6 23.5 84 91 A A - 0 0 58 -2,-0.2 -45,-0.4 -67,-0.1 2,-0.3 -0.526 65.2-152.7 -74.1 150.1 29.7 2.2 21.8 85 92 A C E -A 16 0A 6 -69,-2.3 -69,-1.5 -47,-0.2 2,-0.4 -0.925 30.7-163.4-133.9 157.9 26.7 2.5 24.1 86 93 A E E -AB 15 37A 61 -49,-2.6 -50,-2.2 -2,-0.3 -49,-1.5 -0.920 28.3-179.5-134.7 100.6 23.0 2.6 24.4 87 94 A V E -AB 14 35A 0 -73,-2.4 -73,-3.5 -2,-0.4 2,-0.4 -0.876 23.9-140.0-110.4 138.1 22.0 3.9 27.8 88 95 A A E -AB 13 34A 1 -54,-3.3 -54,-2.2 -2,-0.4 2,-0.4 -0.793 27.0-165.2 -91.5 136.6 18.5 4.4 29.1 89 96 A E E +AB 12 33A 19 -77,-3.0 -77,-3.3 -2,-0.4 2,-0.3 -0.951 12.2 172.6-128.4 149.6 18.4 7.6 31.0 90 97 A I E - B 0 32A 6 -58,-1.8 -58,-3.3 -2,-0.4 2,-0.3 -0.992 35.3-101.2-155.2 150.1 15.8 8.9 33.4 91 98 A S E > - B 0 31A 54 -2,-0.3 4,-3.3 -60,-0.2 -60,-0.2 -0.543 23.0-134.3 -77.1 134.2 15.3 11.8 35.8 92 99 A Y H > S+ 0 0 7 -62,-3.0 4,-3.5 -2,-0.3 5,-0.3 0.943 111.6 54.6 -48.0 -50.7 15.8 11.0 39.5 93 100 A K H > S+ 0 0 139 -63,-0.4 4,-1.0 2,-0.2 -1,-0.3 0.889 113.5 42.3 -47.9 -47.5 12.5 13.0 40.1 94 101 A K H >> S+ 0 0 61 2,-0.2 3,-1.9 1,-0.2 4,-1.3 0.997 112.9 51.0 -63.5 -65.4 10.9 10.7 37.6 95 102 A F H 3X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.3 3,-0.3 0.842 103.2 59.7 -39.5 -51.2 12.6 7.4 38.9 96 103 A R H 3< S+ 0 0 90 -4,-3.5 4,-0.3 1,-0.3 -1,-0.3 0.879 106.4 50.0 -47.9 -40.9 11.5 8.2 42.5 97 104 A Q H XX S+ 0 0 100 -3,-1.9 4,-1.7 -4,-1.0 3,-1.2 0.890 105.6 54.6 -67.3 -41.5 8.0 8.1 41.2 98 105 A L H 3X S+ 0 0 6 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.845 104.3 54.6 -62.3 -35.3 8.4 4.8 39.4 99 106 A I H 3< S+ 0 0 27 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.528 103.3 56.5 -78.4 -5.8 9.6 3.0 42.5 100 107 A Q H <4 S+ 0 0 148 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.890 110.1 43.0 -85.5 -51.9 6.5 4.1 44.4 101 108 A V H < S+ 0 0 99 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.899 142.1 9.1 -57.8 -33.7 4.2 2.5 41.8 102 109 A N >X + 0 0 30 -4,-1.9 3,-1.5 -5,-0.2 4,-0.5 -0.685 59.3 179.4-151.9 93.7 6.7 -0.3 42.1 103 110 A P H 3> S+ 0 0 78 0, 0.0 4,-1.6 0, 0.0 -4,-0.1 0.618 75.3 85.5 -67.3 -10.8 9.5 -0.4 44.8 104 111 A D H 3> S+ 0 0 84 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.802 85.2 52.8 -62.4 -29.5 10.5 -3.7 43.3 105 112 A I H <> S+ 0 0 2 -3,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.882 103.4 57.3 -74.0 -33.4 12.7 -1.9 40.8 106 113 A L H X S+ 0 0 48 -4,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.871 104.4 54.3 -61.0 -34.1 14.3 -0.0 43.7 107 114 A M H X S+ 0 0 123 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.953 102.4 55.2 -60.8 -53.1 15.2 -3.5 45.0 108 115 A R H X S+ 0 0 77 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.812 111.5 46.0 -49.6 -35.8 16.9 -4.4 41.7 109 116 A L H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 3,-0.3 0.974 108.7 52.4 -72.1 -58.7 19.1 -1.3 42.1 110 117 A S H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.790 105.7 57.4 -48.2 -35.7 20.0 -1.8 45.8 111 118 A A H X S+ 0 0 50 -4,-2.3 4,-2.8 2,-0.2 -1,-0.3 0.976 106.2 48.6 -60.4 -54.6 21.1 -5.4 44.9 112 119 A Q H X S+ 0 0 19 -4,-1.3 4,-3.4 -3,-0.3 -2,-0.2 0.890 109.5 52.2 -51.2 -44.9 23.5 -4.0 42.3 113 120 A M H X S+ 0 0 52 -4,-2.1 4,-2.7 2,-0.2 -1,-0.3 0.923 108.9 51.9 -59.9 -42.1 24.8 -1.5 44.9 114 121 A A H X S+ 0 0 50 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.967 111.5 44.9 -59.5 -53.1 25.3 -4.5 47.2 115 122 A R H X S+ 0 0 160 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.947 112.9 52.7 -56.6 -46.9 27.3 -6.4 44.7 116 123 A R H X S+ 0 0 44 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.891 108.8 48.9 -54.4 -44.2 29.3 -3.2 43.8 117 124 A L H X S+ 0 0 119 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.866 108.7 55.4 -64.9 -37.0 30.1 -2.7 47.5 118 125 A Q H X S+ 0 0 132 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.984 112.0 40.5 -59.8 -58.4 31.2 -6.3 47.8 119 126 A V H X S+ 0 0 51 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.841 112.2 54.3 -62.3 -35.0 33.7 -6.1 44.9 120 127 A T H X S+ 0 0 57 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.946 111.7 46.3 -64.8 -43.8 35.0 -2.6 45.8 121 128 A S H >X S+ 0 0 61 -4,-2.1 4,-2.2 2,-0.3 3,-0.7 0.937 110.8 51.5 -60.1 -47.0 35.8 -4.0 49.3 122 129 A E H 3X S+ 0 0 111 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.904 109.1 52.3 -56.1 -38.1 37.3 -7.0 47.7 123 130 A K H 3X S+ 0 0 52 -4,-2.6 4,-1.6 1,-0.2 -1,-0.3 0.778 104.7 56.3 -68.5 -27.4 39.3 -4.5 45.6 124 131 A V H - 0 0 107 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.525 41.6 -94.5 -88.7 160.4 51.7 -7.0 45.4 132 139 A V H > S+ 0 0 33 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.875 124.4 56.3 -42.8 -51.8 51.4 -5.8 41.8 133 140 A T H > S+ 0 0 57 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.947 110.0 45.7 -45.8 -58.0 52.3 -9.1 40.3 134 141 A G H > S+ 0 0 19 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.831 113.8 49.0 -55.9 -37.9 49.5 -10.8 42.2 135 142 A R H X S+ 0 0 30 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.924 113.1 45.8 -70.1 -47.1 47.0 -8.1 41.3 136 143 A I H >X S+ 0 0 0 -4,-3.6 4,-2.3 -5,-0.2 3,-0.6 0.967 113.3 51.8 -60.5 -49.4 48.0 -8.2 37.6 137 144 A A H 3X S+ 0 0 36 -4,-3.5 4,-1.9 -5,-0.3 -2,-0.2 0.921 109.4 48.0 -51.4 -50.9 47.8 -12.0 37.8 138 145 A Q H 3X S+ 0 0 63 -4,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.788 112.8 52.4 -61.4 -27.7 44.3 -12.0 39.3 139 146 A T H X S+ 0 0 82 -4,-1.8 3,-0.7 2,-0.2 4,-0.6 0.947 114.3 53.3 -63.3 -49.7 39.4 -12.3 35.4 143 150 A L H >< S+ 0 0 18 -4,-3.4 3,-1.1 1,-0.3 -2,-0.2 0.896 108.3 50.5 -52.7 -42.0 39.8 -10.8 32.1 144 151 A A H 3< S+ 0 0 10 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.789 104.9 55.7 -69.9 -28.0 40.2 -14.2 30.5 145 152 A K H << S+ 0 0 153 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.535 87.7 109.2 -80.9 -5.9 37.1 -15.6 32.1 146 153 A Q S X< S- 0 0 63 -3,-1.1 3,-1.5 -4,-0.6 -3,-0.0 -0.395 78.7-123.9 -71.5 149.8 35.2 -12.7 30.5 147 154 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.734 110.2 59.5 -63.1 -27.1 32.8 -13.4 27.7 148 155 A D T 3 S+ 0 0 119 -5,-0.1 2,-0.2 2,-0.1 -4,-0.1 0.486 81.9 114.0 -83.5 -1.4 34.5 -10.9 25.3 149 156 A A S < S- 0 0 16 -3,-1.5 2,-0.3 -6,-0.1 9,-0.2 -0.486 70.5-121.1 -71.6 139.9 37.7 -13.0 25.7 150 157 A M E -H 157 0D 104 7,-3.0 7,-3.7 -2,-0.2 2,-0.4 -0.598 19.8-123.8 -83.1 138.7 38.9 -14.7 22.6 151 158 A T E -H 156 0D 124 -2,-0.3 5,-0.2 5,-0.2 -1,-0.0 -0.698 35.8-179.5 -85.5 129.6 39.3 -18.4 22.6 152 159 A H E > -H 155 0D 48 3,-2.1 3,-1.4 -2,-0.4 45,-0.0 -0.934 39.1-110.6-131.2 152.5 42.8 -19.5 21.6 153 160 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.774 116.9 38.0 -50.8 -31.4 44.6 -22.9 21.2 154 161 A D T 3 S- 0 0 90 1,-0.1 46,-2.4 45,-0.0 2,-0.3 0.459 132.8 -61.8-104.5 2.0 46.8 -22.5 24.2 155 162 A G E < S-HI 152 199D 17 -3,-1.4 -3,-2.1 44,-0.3 2,-0.3 -0.945 85.8 -23.1 158.5-135.9 44.3 -20.8 26.5 156 163 A M E -HI 151 198D 62 42,-2.1 42,-2.8 -2,-0.3 2,-0.5 -0.879 49.5-145.6-114.5 147.1 42.3 -17.6 26.4 157 164 A Q E +HI 150 197D 44 -7,-3.7 -7,-3.0 -2,-0.3 2,-0.2 -0.950 19.2 175.7-117.2 125.0 43.2 -14.4 24.5 158 165 A I E - I 0 196D 13 38,-2.5 38,-2.1 -2,-0.5 2,-0.4 -0.742 19.9-141.3-120.1 165.9 42.5 -10.9 25.7 159 166 A K E + I 0 195D 126 -2,-0.2 2,-0.3 36,-0.2 36,-0.2 -0.993 41.9 120.6-132.7 126.7 43.4 -7.4 24.3 160 167 A I - 0 0 20 34,-2.2 2,-0.2 -2,-0.4 -2,-0.1 -0.915 52.5-102.5-177.5 149.7 44.4 -4.5 26.5 161 168 A T > - 0 0 48 -2,-0.3 4,-1.9 1,-0.1 5,-0.3 -0.495 22.8-124.9 -87.9 155.7 47.3 -2.1 27.1 162 169 A R H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.872 114.3 61.2 -58.6 -35.1 49.9 -2.2 29.8 163 170 A Q H > S+ 0 0 117 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.924 106.2 42.2 -58.6 -49.3 48.7 1.3 30.5 164 171 A E H 4 S+ 0 0 40 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.794 108.4 56.7 -72.8 -29.8 45.1 0.2 31.4 165 172 A I H >X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 3,-0.8 0.855 106.7 55.4 -67.1 -29.8 46.1 -2.8 33.4 166 173 A G H 3X>S+ 0 0 3 -4,-1.6 5,-2.2 -5,-0.3 4,-1.0 0.848 103.8 50.4 -68.8 -33.0 48.0 -0.2 35.3 167 174 A Q H 3<5S+ 0 0 36 -4,-0.9 -114,-2.4 3,-0.2 -1,-0.3 0.441 114.7 47.7 -82.1 -4.2 44.9 1.8 35.9 168 175 A I H <45S+ 0 0 25 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.2 0.827 120.2 31.4-100.4 -51.3 43.2 -1.3 37.1 169 176 A V H <5S- 0 0 4 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.569 110.4-117.8 -83.6 -7.7 45.9 -2.8 39.5 170 177 A G T <5S+ 0 0 38 -4,-1.0 2,-0.2 -5,-0.3 -3,-0.2 0.966 71.2 109.6 71.6 55.1 47.0 0.7 40.4 171 178 A C S > - 0 0 53 -2,-0.2 4,-1.7 1,-0.1 3,-0.9 -0.647 35.7-124.6 -86.7 145.2 52.8 2.3 36.6 173 180 A R H 3> S+ 0 0 141 -2,-0.3 4,-2.3 1,-0.3 -1,-0.1 0.765 114.8 59.2 -53.5 -28.8 52.5 1.1 33.1 174 181 A E H 3> S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.901 103.7 49.5 -67.8 -42.1 56.3 0.5 33.3 175 182 A T H <> S+ 0 0 38 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.833 110.2 51.3 -66.5 -31.3 55.7 -1.9 36.2 176 183 A V H X S+ 0 0 0 -4,-1.7 4,-3.5 2,-0.2 -2,-0.2 0.987 107.3 51.6 -67.3 -58.1 53.0 -3.7 34.2 177 184 A G H X S+ 0 0 11 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.801 113.4 46.0 -46.6 -39.4 55.2 -4.2 31.2 178 185 A R H X S+ 0 0 160 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.893 112.4 47.5 -74.5 -42.9 58.0 -5.7 33.4 179 186 A I H X S+ 0 0 17 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.898 110.7 55.7 -64.9 -37.5 55.7 -8.0 35.3 180 187 A L H X S+ 0 0 3 -4,-3.5 4,-2.0 1,-0.2 3,-0.5 0.980 105.5 49.5 -56.2 -58.2 54.2 -9.0 32.0 181 188 A K H X S+ 0 0 148 -4,-2.1 4,-3.4 1,-0.3 -1,-0.2 0.835 111.6 50.7 -49.5 -38.9 57.7 -10.0 30.7 182 189 A M H X S+ 0 0 102 -4,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.893 106.7 52.7 -68.3 -39.8 58.3 -12.0 33.9 183 190 A L H <>S+ 0 0 12 -4,-2.6 5,-3.1 -3,-0.5 6,-1.1 0.829 115.3 41.7 -67.4 -27.1 55.0 -13.8 33.5 184 191 A E H ><5S+ 0 0 72 -4,-2.0 3,-4.3 4,-0.2 -2,-0.2 0.918 107.5 60.3 -80.0 -46.5 56.0 -14.7 30.0 185 192 A D H 3<5S+ 0 0 133 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.817 108.7 47.2 -46.5 -31.3 59.5 -15.5 31.2 186 193 A Q T 3<5S- 0 0 111 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.207 117.9-116.1 -97.9 17.4 57.7 -18.0 33.4 187 194 A N T < 5S+ 0 0 131 -3,-4.3 -3,-0.2 2,-0.2 -2,-0.1 0.765 83.4 118.2 55.2 32.0 55.6 -19.4 30.5 188 195 A L S S-J 195 0D 136 3,-2.6 3,-1.3 -2,-0.4 -2,-0.0 -0.914 70.5 -46.3-139.2 106.9 52.7 -9.4 21.8 193 200 A G T 3 S- 0 0 43 -2,-0.4 -1,-0.1 1,-0.3 -33,-0.1 -0.339 121.5 -19.5 65.3-145.7 51.4 -5.8 21.7 194 201 A K T 3 S+ 0 0 130 -3,-0.1 -34,-2.2 -35,-0.1 2,-0.4 0.669 120.9 97.0 -68.7 -14.2 47.9 -5.3 23.2 195 202 A T E < +IJ 159 192D 35 -3,-1.3 -3,-2.6 -36,-0.2 2,-0.4 -0.612 50.7 176.1 -84.6 130.4 47.4 -9.1 22.7 196 203 A I E -IJ 158 191D 1 -38,-2.1 -38,-2.5 -2,-0.4 2,-0.6 -0.993 18.7-155.1-134.7 126.1 48.0 -11.4 25.6 197 204 A V E -IJ 157 190D 10 -7,-1.9 -7,-1.6 -2,-0.4 2,-0.8 -0.906 8.8-156.3-101.3 120.9 47.5 -15.0 25.7 198 205 A V E -IJ 156 189D 15 -42,-2.8 -42,-2.1 -2,-0.6 -9,-0.2 -0.895 25.3-132.3 -95.0 110.9 46.9 -16.3 29.2 199 206 A Y E I 155 0D 85 -11,-1.9 -44,-0.3 -2,-0.8 -45,-0.0 -0.337 360.0 360.0 -67.0 149.0 47.9 -19.9 29.0 200 207 A G 0 0 130 -46,-2.4 -1,-0.1 -2,-0.0 -11,-0.0 -0.929 360.0 360.0-108.2 360.0 45.6 -22.6 30.4