==== 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 TRANSFERASE 20-JUL-06 2HR8 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YAMAMOTO,M.TAKETA,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PR . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 1 0.2 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 . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 4 0 0 0 4 2 0 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 5 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 . 5 2 0 4 0 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 . 2 0 0 4 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 1 A M 0 0 144 0, 0.0 106,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 39.1 -7.3 -55.7 20.9 2 2 A V E -a 107 0A 11 104,-0.1 78,-2.0 76,-0.1 2,-0.4 -0.776 360.0-130.5-126.7 171.2 -7.2 -52.6 23.1 3 3 A L E -ab 108 80A 0 104,-2.5 106,-1.9 -2,-0.3 2,-0.4 -0.988 21.1-151.8-124.5 137.0 -9.4 -49.9 24.5 4 4 A Y E -ab 109 81A 34 76,-3.2 78,-4.0 -2,-0.4 2,-0.8 -0.916 10.2-156.0-114.7 131.3 -8.5 -46.2 24.2 5 5 A F E -ab 110 82A 0 104,-3.0 106,-3.0 -2,-0.4 2,-0.5 -0.884 25.9-177.2-102.2 102.2 -9.5 -43.3 26.5 6 6 A I E -ab 111 83A 0 76,-2.1 78,-1.4 -2,-0.8 106,-0.2 -0.904 17.0-142.9-111.0 122.1 -9.3 -40.2 24.2 7 7 A G E - b 0 84A 0 104,-2.4 10,-0.4 -2,-0.5 80,-0.2 -0.408 1.7-156.0 -75.6 153.3 -9.9 -36.7 25.5 8 8 A L - 0 0 4 76,-2.3 7,-0.3 78,-0.8 79,-0.1 0.535 36.8-129.3-106.7 -10.2 -11.7 -34.2 23.3 9 9 A G B -E 86 0B 1 77,-1.0 77,-2.9 75,-0.4 -1,-0.3 -0.328 33.4 -55.2 93.3-176.0 -10.4 -31.0 24.8 10 10 A L S S- 0 0 3 5,-0.2 30,-0.3 75,-0.2 -1,-0.1 0.925 107.8 -0.6 -73.0 -55.4 -12.0 -27.8 26.0 11 11 A Y S S+ 0 0 60 199,-0.2 30,-2.3 1,-0.2 31,-0.4 0.876 112.5 7.1-110.4 -67.4 -14.2 -26.1 23.4 12 12 A D S > S- 0 0 20 198,-0.3 3,-1.5 29,-0.2 -1,-0.2 -0.538 81.9 -86.9-114.1-174.8 -14.7 -27.6 19.9 13 13 A E G > S+ 0 0 34 1,-0.3 3,-0.8 28,-0.3 271,-0.2 0.675 117.6 67.2 -70.0 -14.5 -13.8 -30.8 18.1 14 14 A R G 3 S+ 0 0 59 1,-0.2 271,-3.0 270,-0.1 270,-0.5 0.547 77.5 83.9 -82.4 -3.4 -10.4 -29.4 17.0 15 15 A D G < + 0 0 8 -3,-1.5 -1,-0.2 -7,-0.3 2,-0.2 0.394 69.1 106.0 -78.8 6.3 -9.2 -29.3 20.6 16 16 A I S < S- 0 0 2 -3,-0.8 268,-2.9 97,-0.1 269,-0.3 -0.564 81.5-105.5 -83.7 147.6 -8.3 -33.0 20.2 17 17 A T B > -F 283 0C 1 95,-0.4 4,-2.6 -10,-0.4 266,-0.3 -0.502 23.0-122.4 -73.8 143.0 -4.6 -34.0 19.9 18 18 A V H > S+ 0 0 10 264,-2.7 4,-2.7 1,-0.3 5,-0.2 0.907 116.4 54.6 -46.4 -46.3 -3.5 -35.0 16.5 19 19 A K H > S+ 0 0 18 261,-2.9 4,-1.6 263,-0.3 -1,-0.3 0.917 108.5 48.0 -55.2 -46.6 -2.4 -38.3 18.1 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.874 111.0 50.8 -64.5 -37.8 -5.9 -38.8 19.4 21 21 A L H X S+ 0 0 15 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.907 109.9 48.6 -68.3 -40.7 -7.5 -38.0 16.1 22 22 A E H X S+ 0 0 83 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.811 113.9 46.1 -70.9 -28.5 -5.4 -40.4 14.1 23 23 A I H < S+ 0 0 29 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.880 108.9 54.7 -79.2 -38.8 -6.1 -43.3 16.6 24 24 A A H >< S+ 0 0 1 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.816 104.9 56.6 -63.0 -29.2 -9.8 -42.6 16.7 25 25 A K H 3< S+ 0 0 89 -4,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.915 104.8 49.1 -69.5 -43.6 -9.9 -42.9 12.9 26 26 A K T 3< S+ 0 0 159 -4,-1.1 2,-0.4 -3,-0.1 -1,-0.3 -0.116 91.7 117.3 -88.1 38.1 -8.4 -46.4 12.8 27 27 A C < - 0 0 0 -3,-0.9 53,-0.2 -2,-0.3 3,-0.1 -0.894 58.3-151.1-111.6 138.5 -10.9 -47.5 15.5 28 28 A D S S+ 0 0 83 51,-1.5 2,-0.3 -2,-0.4 52,-0.2 0.913 84.4 19.1 -69.5 -45.3 -13.6 -50.2 15.1 29 29 A Y E -c 80 0A 107 50,-1.6 52,-2.3 24,-0.1 2,-0.4 -0.963 64.6-161.4-130.9 147.4 -16.0 -48.7 17.6 30 30 A V E +cd 81 55A 6 24,-0.5 26,-2.5 -2,-0.3 2,-0.3 -0.971 11.8 174.1-133.5 118.7 -16.3 -45.3 19.2 31 31 A F E +cd 82 56A 7 50,-3.3 52,-2.4 -2,-0.4 2,-0.3 -0.717 6.4 177.6-113.2 169.3 -18.2 -44.5 22.4 32 32 A A E -cd 83 57A 0 24,-1.4 26,-3.7 -2,-0.3 2,-0.3 -0.983 18.7-150.5-164.3 163.6 -18.4 -41.3 24.2 33 33 A E E - d 0 58A 0 50,-1.3 26,-0.1 -2,-0.3 24,-0.0 -0.985 5.3-174.2-140.7 144.0 -20.0 -39.5 27.2 34 34 A F + 0 0 56 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.199 63.7 88.8-134.6 44.3 -20.9 -35.8 27.6 35 35 A Y S S+ 0 0 14 23,-0.1 135,-0.4 3,-0.1 3,-0.1 0.533 74.7 64.6-114.9 -15.9 -22.0 -35.6 31.2 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.774 118.7 -10.7 -81.2 -25.3 -18.7 -34.9 32.9 37 37 A S S S- 0 0 3 496,-0.1 2,-0.4 49,-0.0 -1,-0.1 -0.876 70.0-103.0-155.6-173.8 -18.2 -31.6 31.2 38 38 A L - 0 0 33 -2,-0.3 2,-1.0 -28,-0.1 -3,-0.1 -0.979 11.2-163.9-130.4 122.7 -19.5 -29.3 28.5 39 39 A M > - 0 0 14 -2,-0.4 3,-1.2 1,-0.1 -28,-0.2 -0.805 14.9-178.1-102.8 89.8 -17.9 -28.6 25.1 40 40 A A T 3 + 0 0 42 -2,-1.0 -28,-0.2 -30,-0.3 -1,-0.1 0.375 69.4 61.1 -72.0 3.6 -19.8 -25.5 24.1 41 41 A G T 3 S+ 0 0 14 -30,-2.3 -28,-0.3 -31,-0.1 -1,-0.2 0.378 102.6 35.7-115.2 9.1 -18.1 -25.1 20.7 42 42 A T < - 0 0 23 -3,-1.2 2,-0.3 -31,-0.4 -3,-0.1 -0.800 61.3-130.3-146.0-174.8 -19.1 -28.3 18.9 43 43 A T >> - 0 0 76 -2,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.988 33.5-111.7-143.6 150.2 -21.8 -30.9 18.2 44 44 A L H 3> S+ 0 0 68 -2,-0.3 4,-3.1 1,-0.3 5,-0.2 0.846 121.0 56.9 -48.5 -34.2 -21.8 -34.7 18.2 45 45 A G H 3> S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.931 105.6 46.0 -64.3 -48.2 -22.3 -34.3 14.5 46 46 A R H <> S+ 0 0 146 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.854 114.9 50.6 -63.4 -33.8 -19.2 -32.2 13.9 47 47 A I H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.977 109.4 47.0 -68.1 -55.7 -17.3 -34.7 16.0 48 48 A Q H X>S+ 0 0 46 -4,-3.1 4,-3.6 1,-0.2 5,-1.2 0.867 113.5 52.3 -52.5 -38.0 -18.5 -37.8 14.1 49 49 A K H <5S+ 0 0 183 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.971 109.7 45.8 -63.8 -54.9 -17.7 -35.9 11.0 50 50 A L H <5S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.802 120.5 41.8 -59.3 -29.9 -14.1 -35.1 12.1 51 51 A I H <5S- 0 0 7 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.891 96.7-136.5 -84.6 -43.5 -13.7 -38.7 13.2 52 52 A G T <5 + 0 0 58 -4,-3.6 2,-0.3 1,-0.4 -3,-0.2 0.859 69.9 97.0 85.1 38.5 -15.3 -40.5 10.3 53 53 A K S - 0 0 36 -2,-0.3 4,-1.7 -26,-0.1 5,-0.2 -0.362 36.2 -99.8 -90.5 176.6 -25.2 -41.9 29.9 60 60 A R H > S+ 0 0 103 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.865 124.5 51.2 -66.8 -34.2 -23.6 -41.8 33.3 61 61 A E H >>S+ 0 0 124 2,-0.2 4,-1.4 1,-0.2 5,-1.0 0.957 104.2 54.5 -66.5 -51.8 -25.6 -44.9 34.3 62 62 A D H >5S+ 0 0 40 3,-0.2 4,-1.7 1,-0.2 7,-0.3 0.902 120.0 36.1 -46.8 -45.2 -24.4 -46.9 31.2 63 63 A V H X5S+ 0 0 1 -4,-1.7 4,-1.2 3,-0.2 5,-0.2 0.977 117.4 45.7 -74.9 -60.7 -20.9 -46.1 32.3 64 64 A E H <5S+ 0 0 76 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.498 135.1 18.1 -66.5 0.6 -21.0 -46.2 36.1 65 65 A L H <5S+ 0 0 99 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.2 0.570 134.9 29.1-136.9 -36.0 -22.9 -49.4 35.9 66 66 A N H >XS+ 0 0 0 -4,-1.2 4,-2.5 1,-0.2 5,-1.8 0.953 86.6 44.9 -63.1 -47.6 -19.2 -50.0 31.2 68 68 A E H 345S+ 0 0 72 -5,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.526 118.5 44.7 -73.6 -6.1 -18.0 -53.6 31.3 69 69 A N H <45S+ 0 0 103 -3,-0.5 -2,-0.2 -7,-0.3 -1,-0.2 0.701 124.4 30.6-105.3 -31.5 -21.2 -54.9 29.8 70 70 A I H <5S+ 0 0 31 -4,-2.7 4,-0.3 -8,-0.3 -3,-0.2 0.867 134.8 14.8 -95.1 -46.3 -21.5 -52.3 27.0 71 71 A V T X5S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.4 -3,-0.2 0.902 112.0 62.2-100.1 -51.1 -18.0 -51.4 26.1 72 72 A L T >44 S+ 0 0 56 0, 0.0 3,-3.4 0, 0.0 4,-0.2 0.972 102.8 51.7 -51.0 -59.8 -16.7 -56.8 25.5 74 74 A L G >> S+ 0 0 49 -4,-0.3 4,-2.7 1,-0.3 3,-0.8 0.748 106.5 56.1 -47.2 -29.1 -16.2 -55.1 22.1 75 75 A A G << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.7 32,-0.2 0.490 89.1 74.0 -85.4 -3.4 -12.6 -54.3 23.1 76 76 A K G <4 S+ 0 0 106 -3,-3.4 -1,-0.2 -4,-0.5 -2,-0.2 0.412 119.9 13.9 -86.1 1.4 -11.9 -58.0 23.8 77 77 A E T <4 S+ 0 0 144 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.502 128.7 35.5-138.4 -46.4 -11.9 -58.4 20.0 78 78 A N S < S- 0 0 45 -4,-2.7 2,-0.7 -5,-0.2 -1,-0.2 -0.319 85.6 -92.0-106.3-172.2 -11.7 -55.0 18.3 79 79 A D - 0 0 47 -78,-0.2 -50,-1.6 -2,-0.1 -51,-1.5 -0.930 48.2-174.7-106.7 112.1 -10.1 -51.6 18.9 80 80 A V E -bc 3 29A 0 -78,-2.0 -76,-3.2 -2,-0.7 2,-0.4 -0.887 12.4-155.6-115.2 142.2 -12.5 -49.4 20.8 81 81 A A E -bc 4 30A 0 -52,-2.3 -50,-3.3 -2,-0.4 2,-0.6 -0.934 3.0-159.4-118.9 137.0 -12.3 -45.7 21.8 82 82 A F E -bc 5 31A 0 -78,-4.0 -76,-2.1 -2,-0.4 2,-0.3 -0.954 17.4-160.1-113.3 113.3 -14.0 -44.0 24.7 83 83 A L E +bc 6 32A 1 -52,-2.4 -50,-1.3 -2,-0.6 -76,-0.2 -0.679 14.8 169.6 -97.0 149.9 -14.2 -40.2 24.2 84 84 A T E -b 7 0A 0 -78,-1.4 -76,-2.3 -2,-0.3 -75,-0.4 -0.982 39.9 -91.5-151.4 155.5 -14.7 -37.6 26.9 85 85 A P S S- 0 0 1 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.351 91.8 -14.4 -67.9 153.2 -14.5 -33.7 27.1 86 86 A G B S-E 9 0B 1 -77,-2.9 -77,-1.0 -79,-0.1 -78,-0.8 -0.159 131.3 -8.4 51.9-147.7 -11.2 -32.3 28.2 87 87 A D > - 0 0 0 446,-0.9 3,-1.8 -80,-0.2 25,-0.1 -0.717 70.0-138.5 -80.8 123.2 -8.8 -34.8 29.7 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.737 99.1 43.4 -52.9 -28.6 -10.7 -38.1 30.2 89 89 A L T 3 S+ 0 0 10 5,-0.1 2,-0.7 -84,-0.1 3,-0.5 0.362 88.9 103.0-102.0 4.9 -9.1 -38.7 33.6 90 90 A V S < S- 0 0 0 -3,-1.8 26,-0.1 443,-0.3 3,-0.1 -0.803 100.1 -16.4 -99.8 117.5 -9.3 -35.2 35.2 91 91 A A S S+ 0 0 36 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.945 116.6 95.7 60.1 49.5 -12.0 -34.5 37.7 92 92 A T S S- 0 0 23 -3,-0.5 -1,-0.3 441,-0.1 3,-0.3 -0.898 80.4-124.2-152.3 168.2 -14.0 -37.6 36.7 93 93 A T S > S+ 0 0 80 -2,-0.3 3,-1.1 1,-0.2 4,-0.4 0.155 76.4 114.4-107.9 20.5 -13.9 -41.1 38.2 94 94 A H T >> + 0 0 2 -6,-0.3 3,-2.0 1,-0.2 4,-0.6 0.775 56.4 77.3 -60.7 -29.6 -13.0 -42.7 34.9 95 95 A A H >> S+ 0 0 16 1,-0.3 3,-2.0 -3,-0.3 4,-0.5 0.878 89.3 57.3 -48.2 -43.2 -9.6 -43.9 36.1 96 96 A E H X> S+ 0 0 61 -3,-1.1 4,-1.5 1,-0.3 3,-0.9 0.771 92.9 70.3 -60.1 -25.8 -11.3 -46.7 38.0 97 97 A L H <> S+ 0 0 4 -3,-2.0 4,-2.1 -4,-0.4 -1,-0.3 0.765 89.5 62.2 -62.9 -24.4 -12.7 -47.8 34.6 98 98 A R H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 3,-0.9 0.946 113.0 48.3 -57.4 -50.3 -10.7 -53.0 31.8 102 102 A K H ><5S+ 0 0 97 -4,-2.6 3,-3.9 1,-0.3 -2,-0.2 0.980 110.1 49.9 -53.6 -63.1 -7.7 -54.8 33.3 103 103 A R H 3<5S+ 0 0 153 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.657 109.7 54.9 -51.4 -15.9 -9.9 -57.2 35.3 104 104 A A T <<5S- 0 0 25 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.346 121.5-107.8-100.2 4.6 -11.7 -57.9 32.0 105 105 A G T < 5S+ 0 0 72 -3,-3.9 2,-0.5 1,-0.2 -3,-0.2 0.722 76.4 133.9 77.2 22.1 -8.5 -58.8 30.2 106 106 A V < - 0 0 4 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.905 52.0-135.0-111.0 130.4 -8.5 -55.6 28.2 107 107 A E E -a 2 0A 124 -106,-0.7 -104,-2.5 -2,-0.5 2,-0.4 -0.576 24.7-159.8 -78.8 140.7 -5.4 -53.4 27.6 108 108 A S E -a 3 0A 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.975 11.6-173.1-129.3 142.1 -6.1 -49.6 28.1 109 109 A Y E -a 4 0A 64 -106,-1.9 -104,-3.0 -2,-0.4 2,-0.5 -0.960 15.9-139.3-129.6 148.3 -4.3 -46.6 26.9 110 110 A V E -a 5 0A 8 -2,-0.3 2,-0.8 367,-0.2 -104,-0.2 -0.927 9.2-168.3-114.9 117.7 -4.9 -42.9 27.7 111 111 A I E -a 6 0A 4 -106,-3.0 -104,-2.4 -2,-0.5 -94,-0.1 -0.897 24.5-145.1-103.2 108.4 -4.6 -40.2 25.0 112 112 A H - 0 0 7 -2,-0.8 -95,-0.4 -106,-0.2 -92,-0.2 -0.023 18.1-174.8 -67.2 173.8 -4.7 -36.8 26.9 113 113 A A - 0 0 0 -97,-0.1 268,-0.3 266,-0.1 -97,-0.1 -0.959 43.8 -58.5-161.8 163.0 -6.2 -33.6 25.8 114 114 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.281 57.3-161.3 -54.7 126.6 -6.4 -29.9 27.0 115 115 A S >> - 0 0 0 264,-0.3 4,-1.5 -29,-0.2 3,-0.9 -0.803 28.4-128.9-112.2 153.7 -7.9 -29.8 30.5 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.814 105.3 71.5 -67.8 -28.1 -9.5 -27.0 32.3 117 117 A Y H 34 S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.798 112.3 26.5 -58.4 -29.6 -7.3 -27.8 35.3 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-1.6 1,-0.1 -1,-0.2 0.610 107.3 74.9-106.3 -16.6 -4.2 -26.5 33.4 119 119 A A H >< S+ 0 0 0 -4,-1.5 3,-2.2 1,-0.3 -2,-0.2 0.698 75.5 82.2 -68.4 -16.7 -6.1 -24.0 31.2 120 120 A V G ><> + 0 0 1 -4,-1.1 3,-2.4 1,-0.3 5,-0.5 0.666 67.6 85.1 -63.2 -12.7 -6.4 -21.8 34.2 121 121 A G G X 5S+ 0 0 1 -3,-1.6 3,-1.2 1,-0.3 -1,-0.3 0.737 76.7 69.1 -60.0 -19.3 -2.9 -20.6 33.4 122 122 A I G < 5S+ 0 0 7 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.603 84.6 69.1 -75.6 -10.3 -4.6 -18.2 31.0 123 123 A T G < 5S- 0 0 0 -3,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.567 113.0-115.0 -82.8 -9.9 -6.0 -16.3 34.0 124 124 A G T < 5S+ 0 0 3 -3,-1.2 2,-0.3 1,-0.3 125,-0.2 0.303 75.7 128.3 93.6 -10.3 -2.5 -15.1 34.9 125 125 A L < - 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0 0 25 -2,-0.3 2,-1.3 -3,-0.1 3,-0.1 -0.925 15.3-130.5-121.3 144.1 11.8 -30.9 26.4 305 39 B M > - 0 0 12 -2,-0.4 3,-1.5 1,-0.2 -28,-0.2 -0.753 26.5-176.8 -88.5 92.5 9.7 -33.1 24.3 306 40 B A T 3 S+ 0 0 45 -2,-1.3 -1,-0.2 -30,-0.3 -28,-0.1 0.757 75.3 63.0 -64.3 -25.0 11.7 -36.4 24.8 307 41 B G T 3 S+ 0 0 18 -30,-1.3 -28,-0.3 -31,-0.2 -1,-0.3 0.406 111.1 21.7 -83.2 6.3 9.5 -38.3 22.3 308 42 B T < - 0 0 20 -3,-1.5 2,-0.3 -31,-0.3 -30,-0.1 -0.840 66.6-119.5-153.9-171.0 10.4 -36.2 19.3 309 43 B T > - 0 0 70 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.908 32.4-110.3-137.4 164.9 12.8 -33.8 17.5 310 44 B L H > S+ 0 0 62 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.785 117.6 58.8 -65.1 -28.1 12.7 -30.3 16.1 311 45 B G H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 106.2 44.9 -69.4 -41.3 12.9 -31.9 12.6 312 46 B R H > S+ 0 0 147 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.853 112.5 52.0 -72.4 -33.9 9.7 -33.9 13.1 313 47 B I H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.953 111.8 47.4 -65.5 -47.0 7.9 -30.8 14.5 314 48 B Q H X>S+ 0 0 45 -4,-2.4 4,-2.8 1,-0.2 5,-1.1 0.886 111.8 49.4 -61.3 -39.8 9.0 -28.8 11.5 315 49 B K H <5S+ 0 0 179 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.930 110.8 50.8 -65.7 -43.9 7.9 -31.5 9.0 316 50 B L H <5S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.926 118.9 35.0 -60.0 -47.9 4.5 -31.8 10.7 317 51 B I H <5S- 0 0 5 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.869 100.8-137.5 -74.6 -36.5 3.8 -28.1 10.6 318 52 B G T <5 + 0 0 53 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.885 64.5 103.3 79.5 40.8 5.6 -27.6 7.3 319 53 B K S - 0 0 50 -2,-0.4 4,-2.3 -26,-0.1 5,-0.2 -0.386 30.5-104.8 -83.4 164.5 16.6 -19.1 24.0 326 60 B R H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.892 127.4 47.7 -53.8 -40.0 15.4 -18.4 27.5 327 61 B E H >>S+ 0 0 120 2,-0.2 4,-2.9 1,-0.2 5,-0.9 0.901 105.3 58.4 -67.2 -43.7 17.2 -15.1 27.2 328 62 B D H >5S+ 0 0 37 3,-0.2 4,-1.4 2,-0.2 7,-0.2 0.917 116.0 35.1 -51.4 -49.0 15.7 -14.4 23.8 329 63 B V H X5S+ 0 0 1 -4,-2.3 4,-1.7 3,-0.2 5,-0.2 0.994 121.3 42.7 -70.4 -66.8 12.2 -14.6 25.2 330 64 B E H <5S+ 0 0 73 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.833 128.3 29.0 -53.0 -38.8 12.7 -13.2 28.7 331 65 B L H <5S+ 0 0 102 -4,-2.9 -1,-0.2 -5,-0.3 -3,-0.2 0.864 135.9 17.0 -94.6 -37.4 14.9 -10.3 27.6 332 66 B N H >XS+ 0 0 1 -4,-1.7 4,-1.9 1,-0.3 5,-1.7 0.890 81.8 54.1 -55.3 -38.9 10.4 -11.1 23.2 334 68 B E H 345S+ 0 0 77 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.638 113.5 41.9 -71.7 -13.5 9.3 -7.6 22.1 335 69 B N H <45S+ 0 0 106 -3,-1.7 -2,-0.2 -7,-0.2 -1,-0.2 0.695 123.6 32.2-105.8 -21.1 12.2 -7.3 19.7 336 70 B I H <5S+ 0 0 26 -4,-2.1 4,-0.3 -8,-0.2 -3,-0.2 0.827 132.8 17.7-102.1 -41.9 12.3 -10.7 18.2 337 71 B V T >X5S+ 0 0 0 -4,-1.9 4,-0.7 -5,-0.4 3,-0.6 0.917 116.7 54.0 -97.1 -60.4 8.6 -11.9 18.2 338 72 B L G >44 S+ 0 0 63 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.936 102.3 49.8 -46.6 -55.3 7.5 -6.8 15.7 340 74 B L G X> S+ 0 0 50 -3,-0.6 4,-0.5 1,-0.3 3,-0.5 0.677 100.9 64.6 -58.3 -20.5 6.5 -9.4 13.1 341 75 B A G << S+ 0 0 1 -3,-1.6 -1,-0.3 -4,-0.7 32,-0.2 0.433 85.9 73.4 -86.0 2.6 3.0 -9.7 14.6 342 76 B K G <4 S+ 0 0 98 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.794 119.1 13.6 -82.1 -28.6 2.2 -6.1 13.7 343 77 B E T <4 S+ 0 0 147 -3,-0.5 2,-0.3 -4,-0.4 -2,-0.2 0.228 130.2 42.3-130.1 11.2 1.9 -7.0 10.0 344 78 B N S < S- 0 0 45 -4,-0.5 2,-0.7 -5,-0.1 -51,-0.1 -0.885 80.6-103.5-147.4 175.1 1.7 -10.8 10.2 345 79 B D - 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