==== 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 23-JAN-07 2E8Q . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,H.SHIMADA,M.TAKETA,T.NAKAMOTO,N.KUNISHIMA,RIKEN STRU . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.2 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 . 2 0.4 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 7 2 0 0 4 3 0 4 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 2 3 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 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 0 151 0, 0.0 106,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -5.7 56.1 96.9 55.9 2 2 A V E -a 107 0A 11 76,-0.4 78,-2.2 104,-0.1 2,-0.4 -0.897 360.0-138.7-130.1 157.3 52.7 97.4 57.6 3 3 A L E -ab 108 80A 0 104,-2.5 106,-2.3 -2,-0.3 2,-0.5 -0.947 15.0-158.7-115.1 130.8 49.9 95.5 59.2 4 4 A Y E -ab 109 81A 34 76,-2.6 78,-2.6 -2,-0.4 2,-0.7 -0.930 7.3-159.4-113.8 122.9 46.2 96.3 58.7 5 5 A F E -ab 110 82A 0 104,-3.4 106,-3.9 -2,-0.5 2,-0.5 -0.882 24.7-175.8 -94.9 115.5 43.4 95.2 61.0 6 6 A I E -ab 111 83A 0 76,-2.1 78,-1.9 -2,-0.7 106,-0.2 -0.954 18.8-144.5-123.8 123.0 40.3 95.4 58.8 7 7 A G E - b 0 84A 0 104,-2.7 10,-0.4 -2,-0.5 80,-0.2 -0.484 2.4-158.8 -77.5 151.2 36.7 94.8 59.9 8 8 A L - 0 0 2 76,-2.3 7,-0.2 78,-0.5 2,-0.2 0.524 40.2-121.3-106.6 -11.9 34.4 93.2 57.4 9 9 A G B -E 86 0B 1 77,-1.1 77,-3.5 75,-0.3 -1,-0.3 -0.521 32.8 -55.8 107.4-172.1 31.1 94.3 58.9 10 10 A L S S- 0 0 2 75,-0.2 30,-0.4 -2,-0.2 -1,-0.1 0.876 111.0 -2.9 -81.6 -44.8 27.9 92.8 60.3 11 11 A Y S S+ 0 0 55 1,-0.3 30,-2.0 199,-0.2 31,-0.4 0.767 114.8 10.9-120.0 -67.6 26.4 90.5 57.7 12 12 A D S > S- 0 0 9 198,-0.2 3,-2.1 29,-0.2 -1,-0.3 -0.655 79.8 -89.6-117.6 177.3 28.0 90.1 54.2 13 13 A E G > S+ 0 0 17 1,-0.3 3,-1.2 28,-0.2 271,-0.2 0.787 117.5 64.7 -53.9 -34.3 31.2 91.1 52.5 14 14 A R G 3 S+ 0 0 101 1,-0.3 271,-1.9 270,-0.1 270,-0.7 0.623 78.5 84.0 -66.4 -15.1 29.9 94.4 51.3 15 15 A D G < + 0 0 10 -3,-2.1 -1,-0.3 -7,-0.2 2,-0.2 0.418 69.5 106.6 -71.6 5.2 29.6 95.7 54.9 16 16 A I S < S- 0 0 1 -3,-1.2 268,-3.0 97,-0.1 269,-0.3 -0.556 79.9-109.3 -78.8 150.0 33.3 96.5 54.5 17 17 A T B > -F 283 0C 1 -10,-0.4 4,-2.5 95,-0.4 266,-0.3 -0.511 21.2-116.5 -80.3 152.1 34.1 100.2 54.3 18 18 A V H > S+ 0 0 13 264,-3.0 4,-2.3 1,-0.2 5,-0.2 0.894 119.2 55.7 -51.1 -41.1 35.3 101.7 51.0 19 19 A M H > S+ 0 0 19 261,-2.8 4,-1.7 263,-0.3 -1,-0.2 0.969 109.0 47.1 -55.1 -54.6 38.6 102.5 52.8 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.8 92,-0.2 -2,-0.2 0.875 109.9 51.4 -55.5 -45.2 38.9 98.9 53.8 21 21 A L H X S+ 0 0 13 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.940 110.5 47.8 -61.3 -47.7 38.2 97.4 50.4 22 22 A E H X S+ 0 0 78 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.807 114.1 48.0 -64.3 -29.2 40.8 99.6 48.6 23 23 A I H >< S+ 0 0 23 -4,-1.7 3,-0.7 -5,-0.2 -2,-0.2 0.941 113.0 46.0 -76.7 -48.4 43.4 98.7 51.2 24 24 A A H >< S+ 0 0 0 -4,-2.8 3,-2.8 1,-0.2 -2,-0.2 0.986 105.6 61.1 -55.2 -60.4 42.8 95.0 51.2 25 25 A K H 3< S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.740 109.2 44.0 -35.6 -36.6 42.8 94.9 47.3 26 26 A K T << S+ 0 0 166 -3,-0.7 2,-0.3 -4,-0.7 -1,-0.3 -0.085 89.8 113.3-106.7 34.7 46.4 96.2 47.4 27 27 A C < - 0 0 0 -3,-2.8 53,-0.2 1,-0.1 3,-0.1 -0.788 60.0-142.7-104.9 150.4 47.8 94.0 50.1 28 28 A D S S+ 0 0 81 51,-2.4 2,-0.4 -2,-0.3 52,-0.2 0.966 86.0 19.9 -74.0 -54.4 50.4 91.4 49.6 29 29 A Y E -c 80 0A 112 50,-0.9 52,-2.4 24,-0.1 2,-0.5 -0.927 68.0-156.5-121.2 145.0 49.1 88.8 52.0 30 30 A V E +c 81 0A 8 24,-0.5 26,-2.4 -2,-0.4 2,-0.3 -0.955 14.1 172.9-126.8 116.3 45.6 88.4 53.5 31 31 A F E +cd 82 56A 9 50,-3.3 52,-3.5 -2,-0.5 2,-0.3 -0.733 5.9 171.6-112.9 165.2 44.7 86.7 56.8 32 32 A A E -cd 83 57A 0 24,-1.3 26,-3.1 50,-0.3 2,-0.3 -0.977 19.9-146.9-168.0 157.0 41.4 86.5 58.7 33 33 A E - 0 0 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.964 6.1-173.3-131.7 149.2 39.5 84.9 61.6 34 34 A F + 0 0 59 24,-0.5 50,-0.1 -2,-0.3 5,-0.1 -0.296 64.5 87.2-136.9 49.3 35.9 83.9 61.9 35 35 A Y S S+ 0 0 16 135,-0.1 135,-0.4 3,-0.0 3,-0.1 0.555 74.8 64.7-120.6 -19.0 35.6 82.8 65.5 36 36 A T S S- 0 0 15 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.592 119.8 -9.4 -82.0 -8.8 34.9 86.1 67.3 37 37 A S - 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.981 68.2-106.2-170.5 176.5 31.6 86.5 65.5 38 38 A L - 0 0 32 -2,-0.3 2,-1.0 -28,-0.1 -3,-0.0 -0.961 12.4-162.7-125.6 118.3 29.3 85.2 62.7 39 39 A M > - 0 0 15 -2,-0.5 3,-0.9 1,-0.1 -28,-0.2 -0.846 13.3-173.0 -96.0 101.6 28.7 87.0 59.4 40 40 A A T 3 S+ 0 0 39 -2,-1.0 -28,-0.1 -30,-0.4 -1,-0.1 0.447 71.7 57.6 -78.3 -0.1 25.5 85.2 58.3 41 41 A G T 3 S+ 0 0 11 -30,-2.0 2,-0.3 -31,-0.1 -1,-0.2 0.295 101.9 47.2-114.2 12.5 25.3 86.7 54.8 42 42 A T < - 0 0 22 -3,-0.9 2,-0.3 -31,-0.4 -3,-0.1 -0.844 57.4-143.1-143.1 179.4 28.6 85.8 53.2 43 43 A T > - 0 0 75 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.937 37.8-104.4-140.8 160.3 31.2 83.1 52.5 44 44 A L H > S+ 0 0 68 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.895 119.2 56.8 -53.2 -41.1 35.0 83.0 52.3 45 45 A G H > S+ 0 0 38 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.960 103.4 48.6 -55.9 -59.6 34.7 82.9 48.6 46 46 A R H > S+ 0 0 122 1,-0.2 4,-3.9 2,-0.2 5,-0.3 0.907 112.6 51.4 -48.4 -45.7 32.6 86.1 48.1 47 47 A I H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.969 113.6 42.6 -56.7 -55.5 35.1 87.8 50.4 48 48 A Q H X>S+ 0 0 53 -4,-2.9 4,-3.2 1,-0.2 5,-1.2 0.913 116.7 48.6 -56.8 -44.5 38.1 86.5 48.3 49 49 A K H <5S+ 0 0 188 -4,-4.0 -2,-0.2 1,-0.2 -1,-0.2 0.937 114.0 46.2 -61.0 -46.9 36.2 87.3 45.1 50 50 A L H <5S+ 0 0 48 -4,-3.9 -2,-0.2 -5,-0.3 -1,-0.2 0.830 121.7 36.6 -64.8 -35.7 35.3 90.8 46.3 51 51 A I H <5S- 0 0 4 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.755 101.4-131.8 -89.8 -28.1 38.9 91.5 47.5 52 52 A G T <5S+ 0 0 53 -4,-3.2 2,-0.3 -5,-0.3 -3,-0.2 0.906 70.2 95.1 76.8 42.6 40.6 89.7 44.7 53 53 A K S - 0 0 40 -2,-0.2 4,-2.1 -26,-0.1 5,-0.2 -0.476 32.9-101.3 -93.5 169.4 42.1 79.7 64.2 60 60 A R H > S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.906 125.8 50.3 -57.4 -40.2 41.8 81.2 67.7 61 61 A E H >>S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.9 0.964 104.7 54.4 -62.6 -54.1 44.9 79.2 68.5 62 62 A D H >5S+ 0 0 44 3,-0.2 4,-1.6 1,-0.2 8,-0.3 0.892 119.1 37.8 -44.9 -45.0 46.9 80.4 65.5 63 63 A V H X5S+ 0 0 2 -4,-2.1 4,-1.7 3,-0.2 5,-0.3 0.983 117.0 42.8 -73.5 -64.6 46.2 84.0 66.7 64 64 A E H <5S+ 0 0 75 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.669 133.4 24.3 -61.1 -16.2 46.3 84.0 70.5 65 65 A L H <5S+ 0 0 101 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.2 0.677 135.9 22.4-119.7 -29.5 49.5 81.9 70.4 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.5 1,-0.3 5,-1.8 0.942 87.1 48.3 -55.8 -47.7 50.1 85.7 65.5 68 68 A E H 345S+ 0 0 72 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.424 118.1 42.8 -73.0 0.9 53.6 87.0 65.9 69 69 A N H <45S+ 0 0 96 -3,-1.8 -2,-0.2 -7,-0.3 -1,-0.2 0.654 122.8 33.3-114.4 -32.8 54.9 83.8 64.3 70 70 A I H <5S+ 0 0 29 -4,-3.3 4,-0.2 -8,-0.3 -3,-0.2 0.859 134.5 13.4 -93.0 -41.4 52.4 83.4 61.4 71 71 A V T X5S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.4 3,-0.4 0.851 114.3 61.4-106.0 -46.3 51.5 86.9 60.4 72 72 A L H >4 S+ 0 0 58 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.900 107.5 49.5 -45.8 -46.9 57.1 88.1 60.1 74 74 A L H >> S+ 0 0 50 -3,-0.4 3,-2.0 1,-0.2 4,-1.1 0.929 103.5 57.8 -59.1 -48.1 55.4 88.6 56.8 75 75 A A H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 3,-0.2 0.787 91.0 76.1 -54.1 -27.8 54.4 92.2 57.5 76 76 A K T << S+ 0 0 106 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.817 115.4 15.0 -54.9 -33.9 58.1 92.9 58.1 77 77 A E T <4 S+ 0 0 154 -3,-2.0 2,-0.3 -4,-0.5 -1,-0.2 0.324 130.9 40.5-124.0 5.4 58.7 92.9 54.3 78 78 A N S < S- 0 0 44 -4,-1.1 2,-0.8 -3,-0.2 -76,-0.4 -0.890 83.8 -99.3-144.7 173.7 55.2 93.2 52.9 79 79 A D - 0 0 46 -2,-0.3 -51,-2.4 -78,-0.2 -50,-0.9 -0.879 49.2-174.5-101.1 104.9 51.9 94.9 53.4 80 80 A V E -bc 3 29A 0 -78,-2.2 -76,-2.6 -2,-0.8 2,-0.3 -0.756 13.1-155.2-107.4 150.3 49.7 92.4 55.2 81 81 A A E -bc 4 30A 0 -52,-2.4 -50,-3.3 -2,-0.3 2,-0.4 -0.891 5.8-162.6-122.2 152.0 46.0 92.4 56.2 82 82 A F E -bc 5 31A 0 -78,-2.6 -76,-2.1 -2,-0.3 -50,-0.3 -0.926 18.0-155.7-134.6 104.0 44.1 90.6 58.9 83 83 A L E +bc 6 32A 0 -52,-3.5 -50,-1.9 -2,-0.4 -76,-0.2 -0.560 16.1 172.1 -85.7 147.4 40.3 90.5 58.4 84 84 A T E -b 7 0A 0 -78,-1.9 -76,-2.3 -2,-0.2 -75,-0.3 -0.957 35.4 -95.2-146.8 161.9 37.7 90.2 61.1 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.346 89.3 -11.8 -74.4 161.8 33.9 90.3 61.5 86 86 A G B S-E 9 0B 1 -77,-3.5 -77,-1.1 -79,-0.1 -78,-0.5 -0.095 129.6 -16.0 45.6-142.6 32.3 93.6 62.7 87 87 A D > - 0 0 0 446,-2.7 3,-0.9 -80,-0.2 25,-0.1 -0.794 69.4-132.3 -89.6 134.1 34.8 96.1 64.0 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.689 100.9 42.7 -60.9 -21.3 38.1 94.3 64.7 89 89 A L T > S+ 0 0 10 444,-0.1 2,-0.6 5,-0.1 3,-0.6 0.515 87.7 102.7-105.0 -4.2 38.6 95.8 68.2 90 90 A V T < S- 0 0 0 -3,-0.9 26,-0.1 443,-0.3 3,-0.1 -0.702 99.9 -13.8 -88.0 118.6 35.1 95.6 69.6 91 91 A A T 3 S+ 0 0 43 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.922 117.1 89.8 59.8 47.8 34.5 92.8 72.1 92 92 A T S < S- 0 0 25 -3,-0.6 -1,-0.3 441,-0.1 3,-0.2 -0.876 80.6-119.4-150.2 179.6 37.7 90.9 71.3 93 93 A T S > S+ 0 0 81 -2,-0.3 3,-1.1 1,-0.1 4,-0.5 0.182 78.3 111.0-112.3 16.8 41.3 90.8 72.4 94 94 A H T >> + 0 0 0 -6,-0.3 3,-0.7 1,-0.2 4,-0.7 0.718 62.7 74.3 -64.4 -17.8 42.7 91.8 69.0 95 95 A A H >> S+ 0 0 15 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.935 91.0 57.1 -60.4 -39.4 43.8 95.2 70.5 96 96 A E H X> S+ 0 0 53 -3,-1.1 4,-1.2 1,-0.3 3,-0.8 0.777 92.3 70.0 -61.4 -26.2 46.6 93.4 72.3 97 97 A L H <> S+ 0 0 2 -3,-0.7 4,-1.9 -4,-0.5 -1,-0.3 0.827 89.4 63.3 -61.2 -29.4 47.8 92.1 68.9 98 98 A R H S+ 0 0 0 -4,-1.9 5,-3.7 2,-0.2 3,-0.3 0.921 111.1 48.1 -63.8 -42.6 53.1 94.4 66.2 102 102 A K H ><5S+ 0 0 98 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.938 111.2 49.0 -62.6 -47.7 54.9 97.2 67.9 103 103 A R H 3<5S+ 0 0 163 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.645 110.8 52.6 -68.9 -14.6 57.3 94.8 69.8 104 104 A A T 3<5S- 0 0 27 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.289 119.8-111.7 -99.0 7.4 57.9 93.2 66.4 105 105 A G T < 5S+ 0 0 69 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.776 74.1 136.4 73.0 21.5 58.8 96.5 64.8 106 106 A V < - 0 0 3 -5,-3.7 2,-0.3 -6,-0.2 -1,-0.2 -0.905 50.5-138.4-108.6 126.8 55.6 96.5 62.7 107 107 A E E -a 2 0A 132 -106,-0.8 -104,-2.5 -2,-0.5 2,-0.3 -0.652 27.2-162.3 -80.0 134.4 53.5 99.6 62.2 108 108 A S E -a 3 0A 10 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.864 13.7-167.0-122.7 156.6 49.8 98.8 62.4 109 109 A Y E -a 4 0A 65 -106,-2.3 -104,-3.4 -2,-0.3 2,-0.5 -0.993 13.9-140.1-139.6 145.4 46.5 100.4 61.4 110 110 A V E -a 5 0A 11 -2,-0.3 2,-0.7 -106,-0.2 -104,-0.2 -0.907 7.0-163.7-109.4 125.7 42.9 99.7 62.1 111 111 A I E -a 6 0A 2 -106,-3.9 -104,-2.7 -2,-0.5 -94,-0.1 -0.916 23.1-145.3-110.1 105.6 40.2 100.0 59.5 112 112 A H - 0 0 10 -2,-0.7 -95,-0.4 -106,-0.2 -92,-0.2 -0.074 17.6-174.0 -64.9 166.1 36.9 100.1 61.3 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.949 43.9 -62.8-154.1 164.7 33.6 98.7 60.1 114 114 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.356 58.1-156.4 -58.3 131.9 30.0 98.7 61.3 115 115 A S >> - 0 0 0 264,-0.3 4,-1.9 -29,-0.2 3,-1.5 -0.851 27.6-126.6-113.2 149.1 29.9 97.0 64.7 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.3 -1,-0.1 0.800 106.5 72.2 -60.7 -26.2 27.0 95.2 66.5 117 117 A Y H 34 S+ 0 0 13 1,-0.2 -1,-0.3 416,-0.2 -26,-0.0 0.805 112.5 23.7 -61.4 -30.6 27.8 97.5 69.4 118 118 A S H X4 S+ 0 0 0 -3,-1.5 3,-1.6 1,-0.1 -1,-0.2 0.608 108.8 75.0-106.5 -17.6 26.4 100.6 67.6 119 119 A A H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.3 -2,-0.2 0.720 77.1 79.0 -66.7 -20.7 24.0 98.7 65.2 120 120 A V G ><> + 0 0 2 -4,-1.0 3,-2.1 1,-0.3 5,-0.6 0.566 68.6 87.7 -64.1 -7.6 21.7 98.1 68.1 121 121 A G G X 5S+ 0 0 1 -3,-1.6 3,-1.6 1,-0.3 -1,-0.3 0.737 72.5 72.1 -62.9 -20.8 20.6 101.7 67.6 122 122 A I G < 5S+ 0 0 9 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.603 81.1 73.0 -68.6 -9.6 18.1 100.2 65.1 123 123 A T G < 5S- 0 0 0 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.519 112.2-117.2 -80.0 -5.0 16.2 98.9 68.2 124 124 A G T < 5S+ 0 0 4 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.487 73.7 132.9 84.6 -2.6 15.1 102.5 68.9 125 125 A L < - 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0 0 44 49,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.981 61.3-124.1-172.2 167.2 28.0 115.9 63.1 304 38 B L - 0 0 10 -2,-0.3 2,-1.0 -3,-0.1 3,-0.1 -0.841 21.0-125.5-121.7 158.6 30.5 116.8 60.4 305 39 B M > - 0 0 11 -2,-0.3 3,-1.6 1,-0.1 -28,-0.1 -0.815 29.5-176.5-101.2 87.9 32.9 114.7 58.4 306 40 B A T 3 S+ 0 0 42 -2,-1.0 -1,-0.1 -30,-0.3 -28,-0.1 0.638 77.1 58.3 -63.8 -13.1 36.1 116.7 59.2 307 41 B G T 3 S+ 0 0 18 -30,-2.0 -28,-0.3 -31,-0.1 -1,-0.3 0.111 115.1 18.8-104.5 23.1 38.1 114.6 56.9 308 42 B T S < S- 0 0 12 -3,-1.6 2,-0.3 -30,-0.2 -3,-0.1 -0.900 71.0-117.6-164.7-169.8 36.1 115.3 53.7 309 43 B T > - 0 0 70 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.946 30.1-108.1-143.6 165.0 33.6 117.7 52.1 310 44 B L H > S+ 0 0 63 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.881 120.6 54.2 -60.3 -36.8 30.1 117.7 50.6 311 45 B G H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 107.6 47.6 -64.1 -43.4 31.8 118.0 47.2 312 46 B R H > S+ 0 0 153 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.821 112.5 49.2 -69.3 -31.0 34.0 115.0 47.7 313 47 B I H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 5,-0.3 0.910 110.5 50.9 -73.7 -40.9 31.0 112.9 48.9 314 48 B Q H X>S+ 0 0 62 -4,-2.5 4,-2.9 1,-0.2 5,-0.9 0.909 110.0 50.6 -60.8 -41.4 28.9 114.0 45.9 315 49 B K H <5S+ 0 0 175 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 109.3 50.7 -64.0 -39.3 31.7 113.0 43.6 316 50 B L H <5S+ 0 0 39 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 120.0 35.0 -69.1 -31.4 32.0 109.6 45.2 317 51 B I H <5S- 0 0 7 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.745 96.2-138.3 -94.0 -27.5 28.3 108.9 44.9 318 52 B G T <5 + 0 0 64 -4,-2.9 2,-0.4 1,-0.3 -3,-0.2 0.788 67.1 108.6 73.4 27.5 27.8 110.7 41.6 319 53 B K S - 0 0 46 -2,-0.3 4,-1.8 -26,-0.1 5,-0.2 -0.313 32.9 -98.7 -88.0 175.3 18.9 121.4 58.4 326 60 B R H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.806 129.5 46.7 -63.4 -27.5 18.0 120.3 61.9 327 61 B E H >>S+ 0 0 121 2,-0.2 4,-2.0 3,-0.2 5,-0.9 0.877 104.8 58.3 -81.5 -39.1 14.7 122.0 61.4 328 62 B D H 45S+ 0 0 42 3,-0.2 4,-0.4 2,-0.2 8,-0.2 0.858 118.2 34.0 -57.2 -35.3 14.2 120.5 57.9 329 63 B V H X5S+ 0 0 2 -4,-1.8 4,-1.5 3,-0.2 5,-0.2 0.962 120.6 42.0 -85.3 -61.5 14.4 117.1 59.5 330 64 B E H <5S+ 0 0 77 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.730 130.9 26.5 -61.4 -24.6 12.8 117.4 63.0 331 65 B L T <5S+ 0 0 95 -4,-2.0 -1,-0.2 -5,-0.2 -3,-0.2 0.730 136.0 20.0-110.9 -28.9 9.9 119.5 61.8 332 66 B N T >>S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.3 5,-1.7 0.910 83.8 51.8 -55.7 -42.0 11.0 115.2 57.3 334 68 B E H 345S+ 0 0 84 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.669 113.1 43.7 -70.9 -16.6 7.5 114.0 56.2 335 69 B N H <45S+ 0 0 107 -3,-1.2 -1,-0.2 -7,-0.2 -2,-0.2 0.637 124.4 31.9-100.4 -17.3 7.1 117.0 53.8 336 70 B I H <5S+ 0 0 25 -4,-1.8 4,-0.2 -8,-0.2 -3,-0.2 0.832 131.1 16.8-105.1 -45.6 10.6 117.0 52.3 337 71 B V T X5S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.3 3,-0.2 0.865 116.9 54.3 -99.1 -47.6 11.9 113.4 52.2 338 72 B L H >> S+ 0 0 67 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.930 109.7 43.6 -54.4 -43.1 6.8 112.3 49.8 340 74 B L H 34 S+ 0 0 54 -4,-0.2 4,-0.5 1,-0.2 3,-0.3 0.766 107.6 60.7 -70.0 -27.0 9.6 111.5 47.3 341 75 B A H 3< S+ 0 0 0 -4,-1.2 32,-0.3 -3,-0.2 -1,-0.2 0.651 91.6 70.4 -74.3 -14.5 10.2 108.2 49.1 342 76 B K H << S+ 0 0 81 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.906 116.1 17.9 -69.1 -41.2 6.6 107.2 48.2 343 77 B E S < S+ 0 0 153 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.2 0.182 127.7 35.9-118.4 18.2 7.3 106.8 44.5 344 78 B N S S- 0 0 56 -4,-0.5 -76,-1.2 -3,-0.0 2,-0.7 -0.932 84.9 -90.8-155.8 176.4 11.1 106.5 44.3 345 79 B D E -n 268 0H 58 -2,-0.3 -51,-2.7 -78,-0.2 -50,-1.5 -0.896 48.8-174.2 -98.8 114.4 14.2 105.1 46.1 346 80 B V E -np 269 295H 0 -78,-2.5 -76,-3.5 -2,-0.7 2,-0.4 -0.896 14.0-152.9-116.3 144.0 15.5 107.8 48.4 347 81 B A E -np 270 296H 0 -52,-2.0 -50,-3.8 -2,-0.4 2,-0.6 -0.935 3.7-165.0-116.7 133.1 18.7 107.9 50.5 348 82 B F E -np 271 297H 0 -78,-3.2 -76,-2.2 -2,-0.4 2,-0.3 -0.968 17.8-160.8-115.4 109.9 19.1 109.9 53.7 349 83 B L E +np 272 298H 0 -52,-2.9 -50,-1.4 -2,-0.6 -76,-0.2 -0.753 14.7 170.3 -95.4 140.0 22.8 110.1 54.5 350 84 B T E -n 273 0H 4 -78,-1.8 -76,-2.6 -2,-0.3 -75,-0.4 -0.983 37.3 -98.4-144.0 153.0 24.2 110.9 58.0 351 85 B P S S+ 0 0 11 0, 0.0 -75,-0.2 0, 0.0 -46,-0.1 -0.239 90.1 2.6 -65.1 163.4 27.6 110.8 59.6 352 86 B G B S-R 275 0I 16 -77,-3.7 -77,-1.6 -79,-0.1 -78,-0.3 -0.248 120.5 -21.7 62.3-146.1 28.5 107.8 61.7 353 87 B D S > S- 0 0 4 -80,-0.2 3,-1.5 -79,-0.1 4,-0.4 -0.867 76.1-106.1-102.6 129.0 26.0 104.9 62.0 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.166 100.5 19.1 -54.7 146.8 22.3 105.6 61.2 355 89 B L T 3 S+ 0 0 5 2,-0.1 -228,-0.2 1,-0.1 6,-0.2 0.533 93.2 102.6 69.4 10.5 19.9 105.7 64.2 356 90 B V < + 0 0 21 -3,-1.5 2,-0.6 -230,-0.1 -229,-0.5 0.858 58.2 86.9 -85.7 -39.3 22.7 106.3 66.7 357 91 B A S >> S- 0 0 32 -4,-0.4 3,-2.3 1,-0.2 4,-0.5 -0.479 95.2-121.6 -62.1 109.8 21.8 110.0 66.9 358 92 B T T 34 S+ 0 0 70 -2,-0.6 4,-0.2 1,-0.3 -1,-0.2 0.474 103.5 42.5 -34.2 -15.5 19.1 109.9 69.6 359 93 B T T >4 S+ 0 0 56 2,-0.1 3,-0.7 1,-0.1 4,-0.4 0.662 91.2 79.0-111.8 -16.6 16.4 111.4 67.5 360 94 B H T X> S+ 0 0 4 -3,-2.3 3,-1.0 1,-0.2 4,-0.6 0.746 80.8 71.3 -63.0 -23.8 16.8 109.8 64.1 361 95 B A H >X S+ 0 0 10 -4,-0.5 3,-1.5 1,-0.2 4,-0.8 0.920 90.5 57.6 -60.1 -43.9 15.0 106.6 65.3 362 96 B E H <> S+ 0 0 57 -3,-0.7 4,-1.7 1,-0.3 -1,-0.2 0.687 92.0 72.2 -63.9 -14.4 11.6 108.2 65.4 363 97 B L H <> S+ 0 0 2 -3,-1.0 4,-2.4 -4,-0.4 -1,-0.3 0.881 91.3 56.4 -66.6 -36.6 12.0 109.1 61.7 364 98 B R H S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 -2,-0.2 0.941 110.4 49.2 -66.4 -46.8 8.3 106.6 57.4 368 102 B K H ><5S+ 0 0 100 -4,-2.9 3,-2.5 1,-0.2 -2,-0.2 0.953 109.1 53.2 -55.5 -51.2 6.1 103.7 58.6 369 103 B R H 3<5S+ 0 0 168 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.833 107.0 52.1 -53.1 -37.0 3.2 106.1 59.2 370 104 B A T 3<5S- 0 0 39 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.396 119.4-111.2 -82.6 3.5 3.6 107.4 55.6 371 105 B G T < 5S+ 0 0 38 -3,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.786 72.7 142.5 71.8 25.8 3.4 103.8 54.3 372 106 B V < - 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