==== 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 27-JUL-06 2HUQ . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SUGAHARA,P.KARTHE,T.S.KUMAREVEL,N.KUNISHIMA,RIKEN STRUCTUR . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21783.0 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 . 48 9.0 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 . 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.6 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 . 16 3.0 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 7 1 0 0 4 2 1 4 0 0 0 2 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 2 2 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 0 150 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -17.0 55.8 97.0 55.6 2 2 A V E -a 107 0A 8 76,-0.5 78,-3.3 104,-0.1 2,-0.4 -0.915 360.0-139.7-137.4 156.8 52.5 97.3 57.4 3 3 A L E -ab 108 80A 0 104,-2.3 106,-2.1 -2,-0.3 2,-0.5 -0.974 17.8-155.4-120.0 132.3 49.7 95.3 59.1 4 4 A Y E -ab 109 81A 32 76,-3.7 78,-2.9 -2,-0.4 2,-0.9 -0.894 10.2-157.9-109.5 123.9 46.0 96.2 58.7 5 5 A F E -ab 110 82A 0 104,-3.4 106,-3.3 -2,-0.5 2,-0.6 -0.848 27.2-175.8 -91.0 102.4 43.2 95.4 61.1 6 6 A I E -ab 111 83A 0 76,-2.0 78,-1.6 -2,-0.9 106,-0.2 -0.886 18.9-142.1-113.5 118.8 40.2 95.5 58.8 7 7 A G E - b 0 84A 0 104,-2.8 10,-0.4 -2,-0.6 80,-0.2 -0.449 5.0-160.5 -68.9 142.6 36.6 95.1 60.0 8 8 A L - 0 0 2 76,-2.3 7,-0.3 78,-0.6 2,-0.3 0.666 38.9-120.3-100.9 -22.4 34.3 93.2 57.7 9 9 A G B -E 86 0B 1 77,-1.1 77,-3.9 75,-0.4 -1,-0.3 -0.784 29.4 -64.1 120.9-161.7 30.9 94.4 59.0 10 10 A L S S+ 0 0 2 -2,-0.3 30,-0.3 75,-0.2 -1,-0.1 0.897 109.7 1.2 -95.3 -54.6 27.8 92.9 60.6 11 11 A Y S S+ 0 0 50 1,-0.2 30,-1.6 199,-0.2 31,-0.4 0.870 116.5 5.0-106.3 -69.6 26.0 90.7 58.0 12 12 A D S > S- 0 0 17 198,-0.2 3,-1.9 29,-0.2 -1,-0.2 -0.570 79.9 -86.1-120.7-178.1 27.7 90.2 54.7 13 13 A E G > S+ 0 0 32 1,-0.3 3,-1.0 28,-0.2 271,-0.2 0.705 118.2 67.6 -65.9 -14.9 30.8 91.1 52.7 14 14 A R G 3 S+ 0 0 63 1,-0.2 271,-2.6 270,-0.1 272,-0.3 0.571 80.6 78.4 -82.9 -0.7 29.2 94.5 51.7 15 15 A D G < S+ 0 0 1 -3,-1.9 -1,-0.2 -7,-0.3 2,-0.2 0.455 70.1 103.8 -83.5 -0.2 29.4 95.7 55.3 16 16 A I S < S- 0 0 2 -3,-1.0 268,-2.6 97,-0.1 269,-0.3 -0.544 81.8-109.5 -76.7 147.2 33.1 96.4 54.9 17 17 A T B > -F 283 0C 0 -10,-0.4 4,-2.5 95,-0.4 266,-0.3 -0.413 21.4-115.7 -75.6 157.5 33.8 100.1 54.5 18 18 A V H > S+ 0 0 8 264,-2.5 4,-2.4 262,-0.3 5,-0.2 0.902 119.3 55.4 -57.6 -41.1 35.0 101.4 51.1 19 19 A K H > S+ 0 0 2 261,-2.7 4,-1.9 263,-0.3 -1,-0.2 0.922 109.2 46.5 -57.0 -46.4 38.3 102.4 52.8 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.6 92,-0.2 -2,-0.2 0.891 110.7 51.6 -65.4 -41.7 38.7 98.8 54.0 21 21 A L H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.932 112.1 45.4 -62.5 -46.6 37.8 97.2 50.6 22 22 A E H X S+ 0 0 83 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.859 115.2 46.4 -68.9 -34.2 40.3 99.3 48.7 23 23 A I H >< S+ 0 0 20 -4,-1.9 3,-0.7 -5,-0.2 4,-0.5 0.914 111.9 51.6 -72.6 -40.9 43.1 98.8 51.2 24 24 A A H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.867 104.4 58.4 -61.5 -36.7 42.4 95.0 51.4 25 25 A K H 3< S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.788 108.6 45.0 -63.0 -30.3 42.6 94.9 47.6 26 26 A K T << S+ 0 0 170 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.381 88.4 108.1 -97.6 2.2 46.1 96.2 47.6 27 27 A C < - 0 0 0 -3,-1.0 53,-0.2 -4,-0.5 3,-0.1 -0.440 63.1-141.8 -78.5 155.4 47.6 94.1 50.4 28 28 A D S S+ 0 0 86 51,-2.4 2,-0.4 1,-0.3 52,-0.2 0.883 86.1 24.8 -83.0 -42.3 50.0 91.3 49.6 29 29 A Y E -c 80 0A 106 50,-1.6 52,-2.4 24,-0.1 2,-0.5 -0.981 68.5-160.3-127.3 138.4 48.7 88.8 52.1 30 30 A V E +c 81 0A 8 24,-0.5 26,-2.3 -2,-0.4 2,-0.3 -0.967 11.9 175.8-124.5 119.4 45.2 88.6 53.6 31 31 A F E +cd 82 56A 7 50,-3.3 52,-3.0 -2,-0.5 2,-0.3 -0.729 5.4 173.8-111.9 165.4 44.5 86.7 56.8 32 32 A A E -cd 83 57A 0 24,-1.6 26,-3.1 50,-0.3 2,-0.4 -0.982 20.4-148.5-167.6 157.8 41.1 86.5 58.7 33 33 A E - 0 0 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.980 5.9-174.2-133.0 145.2 39.3 84.9 61.6 34 34 A F + 0 0 58 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.132 64.9 88.4-131.4 36.0 35.7 84.0 61.8 35 35 A Y S S+ 0 0 16 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.578 73.6 65.5-107.3 -15.2 35.4 82.8 65.4 36 36 A T S S- 0 0 14 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.660 119.1 -12.0 -82.3 -13.8 34.7 86.1 67.3 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.968 70.6-101.2-168.2 177.7 31.3 86.4 65.6 38 38 A L - 0 0 34 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.962 11.3-162.2-122.4 125.7 29.1 85.2 62.8 39 39 A M > - 0 0 13 -2,-0.5 3,-1.3 1,-0.1 -28,-0.2 -0.785 16.0-177.3-102.5 86.6 28.5 86.9 59.4 40 40 A A T 3 S+ 0 0 40 -2,-1.0 -28,-0.1 -30,-0.3 -1,-0.1 0.536 70.9 57.1 -63.1 -12.0 25.3 85.0 58.5 41 41 A G T 3 S+ 0 0 16 -30,-1.6 -1,-0.2 -31,-0.1 2,-0.2 0.290 104.6 40.6-107.5 12.6 24.9 86.6 55.1 42 42 A T < - 0 0 20 -3,-1.3 2,-0.3 -31,-0.4 -3,-0.1 -0.820 60.3-138.6-144.9-177.0 28.1 85.7 53.3 43 43 A T > - 0 0 73 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.929 36.1-105.7-142.3 163.5 30.8 83.1 52.7 44 44 A L H > S+ 0 0 63 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.927 120.5 58.1 -57.3 -42.4 34.6 83.1 52.5 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 105.6 46.5 -53.9 -46.4 34.2 82.7 48.8 46 46 A R H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 113.1 50.0 -66.1 -38.2 32.2 85.9 48.4 47 47 A I H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.959 111.6 47.6 -64.0 -50.5 34.6 87.8 50.6 48 48 A Q H X>S+ 0 0 52 -4,-3.1 4,-2.9 1,-0.2 5,-1.1 0.885 111.2 52.1 -56.9 -41.1 37.6 86.6 48.6 49 49 A K H <5S+ 0 0 186 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.893 110.2 47.9 -63.5 -41.2 35.8 87.5 45.3 50 50 A L H <5S+ 0 0 47 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.885 119.9 37.6 -67.5 -39.8 35.1 91.0 46.5 51 51 A I H <5S- 0 0 5 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.763 99.6-135.4 -83.7 -27.4 38.7 91.5 47.7 52 52 A G T <5S+ 0 0 60 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.794 70.8 97.2 76.9 27.9 40.3 89.6 44.8 53 53 A K S - 0 0 35 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.358 33.3-101.0 -87.9 174.0 41.8 79.5 64.2 60 60 A R H > S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.889 126.1 49.3 -62.9 -39.0 41.6 80.9 67.7 61 61 A E H >>S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 5,-1.0 0.899 107.0 54.9 -67.8 -39.8 44.7 79.0 68.6 62 62 A D H >5S+ 0 0 38 3,-0.2 4,-1.2 2,-0.2 7,-0.2 0.940 117.7 36.7 -57.1 -46.7 46.5 80.3 65.5 63 63 A V H X5S+ 0 0 1 -4,-2.2 4,-1.7 3,-0.2 5,-0.2 0.991 121.0 40.9 -69.8 -64.5 45.8 83.8 66.6 64 64 A E H <5S+ 0 0 75 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.792 131.8 24.7 -59.4 -31.6 46.1 83.7 70.4 65 65 A L H <5S+ 0 0 107 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.773 135.7 24.7-104.7 -30.5 49.2 81.5 70.4 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 5,-1.4 0.942 86.6 46.7 -53.4 -49.6 49.8 85.5 65.6 68 68 A E H 345S+ 0 0 77 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.538 114.9 48.5 -71.1 -5.4 53.4 86.7 65.8 69 69 A N H <45S+ 0 0 103 -3,-1.6 -1,-0.2 -7,-0.2 -2,-0.2 0.667 123.9 26.0-105.0 -23.9 54.6 83.5 64.2 70 70 A I H <5S+ 0 0 29 -4,-2.2 4,-0.4 -3,-0.4 -3,-0.2 0.833 133.6 21.2-105.3 -47.5 52.1 83.4 61.3 71 71 A V T >X5S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.4 3,-0.7 0.942 114.2 56.2 -89.9 -59.2 51.1 87.0 60.5 72 72 A L H 3>4 S+ 0 0 69 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.941 104.2 48.8 -57.1 -46.7 56.7 87.9 60.0 74 74 A L H X> S+ 0 0 50 -3,-0.7 4,-2.0 -4,-0.4 3,-0.9 0.749 102.3 65.0 -63.6 -24.5 55.1 88.6 56.6 75 75 A A H 3< S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.5 32,-0.1 0.744 89.3 65.9 -70.8 -24.7 54.3 92.2 57.7 76 76 A K T << S+ 0 0 111 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.698 120.0 20.9 -70.9 -17.6 58.0 93.0 57.9 77 77 A E T <4 S+ 0 0 151 -3,-0.9 2,-0.2 -4,-0.4 -2,-0.2 0.530 129.4 31.9-123.8 -16.6 58.4 92.5 54.2 78 78 A N S < S- 0 0 40 -4,-2.0 2,-0.6 -5,-0.1 -76,-0.5 -0.810 81.7 -97.2-136.7 175.6 54.8 93.0 52.9 79 79 A D - 0 0 54 -2,-0.2 -51,-2.4 -78,-0.2 -50,-1.6 -0.882 47.2-169.7 -97.6 120.8 51.5 94.8 53.5 80 80 A V E -bc 3 29A 0 -78,-3.3 -76,-3.7 -2,-0.6 2,-0.4 -0.920 13.6-159.4-120.4 141.6 49.3 92.4 55.4 81 81 A A E -bc 4 30A 0 -52,-2.4 -50,-3.3 -2,-0.4 2,-0.5 -0.911 2.2-164.0-117.4 146.0 45.6 92.6 56.3 82 82 A F E -bc 5 31A 0 -78,-2.9 -76,-2.0 -2,-0.4 -50,-0.3 -0.966 17.0-159.0-130.5 105.3 43.8 90.7 59.1 83 83 A L E +bc 6 32A 0 -52,-3.0 -50,-1.7 -2,-0.5 -76,-0.2 -0.623 13.5 174.8 -90.4 149.6 40.1 90.7 58.6 84 84 A T E -b 7 0A 0 -78,-1.6 -76,-2.3 -2,-0.2 -75,-0.4 -0.976 37.0 -93.7-146.8 157.4 37.5 90.1 61.3 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.318 92.6 -11.9 -67.6 159.3 33.6 90.2 61.6 86 86 A G B S-E 9 0B 1 -77,-3.9 -77,-1.1 -79,-0.1 -78,-0.6 -0.159 129.1 -14.6 51.0-139.0 32.1 93.4 62.8 87 87 A D > - 0 0 0 446,-2.3 3,-1.5 -80,-0.2 25,-0.1 -0.883 68.1-132.4 -98.4 127.8 34.7 95.9 64.2 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.684 100.7 39.6 -50.4 -29.6 38.1 94.2 65.0 89 89 A L T 3 S+ 0 0 10 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.428 90.6 101.5-105.3 0.9 38.5 95.6 68.5 90 90 A V S < S- 0 0 0 -3,-1.5 -3,-0.1 443,-0.3 3,-0.1 -0.754 101.2 -13.8 -95.8 122.0 35.0 95.4 69.8 91 91 A A S S+ 0 0 43 -2,-0.6 2,-0.2 1,-0.3 -1,-0.2 0.763 118.9 95.5 65.7 20.2 34.1 92.6 72.2 92 92 A T S S- 0 0 21 -3,-0.5 3,-0.3 441,-0.1 -1,-0.3 -0.799 80.1-124.2-129.6 177.4 37.3 90.8 71.2 93 93 A T S > S+ 0 0 83 -2,-0.2 3,-0.7 1,-0.1 4,-0.4 0.089 78.8 109.2-105.7 22.1 40.9 90.5 72.5 94 94 A H T >> + 0 0 1 -6,-0.4 3,-1.3 1,-0.2 4,-0.6 0.740 58.5 76.4 -72.4 -23.6 42.4 91.7 69.3 95 95 A A H >> S+ 0 0 12 1,-0.3 3,-1.6 -3,-0.3 4,-0.6 0.915 90.4 57.5 -52.3 -40.1 43.5 95.0 70.7 96 96 A E H <> S+ 0 0 62 -3,-0.7 4,-1.4 1,-0.3 3,-0.5 0.749 91.7 69.9 -62.9 -24.6 46.3 93.2 72.4 97 97 A L H <> S+ 0 0 3 -3,-1.3 4,-1.9 -4,-0.4 -1,-0.3 0.771 91.6 59.9 -66.0 -23.8 47.5 91.9 69.0 98 98 A R H <>S+ 0 0 0 -4,-1.9 5,-3.0 2,-0.2 3,-0.8 0.929 111.6 46.6 -60.8 -45.5 52.8 94.0 66.4 102 102 A K H ><5S+ 0 0 91 -4,-2.4 3,-3.0 1,-0.2 -2,-0.2 0.965 107.8 54.2 -61.6 -53.5 54.6 96.9 68.0 103 103 A R H 3<5S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.621 109.5 52.0 -57.9 -10.5 57.0 94.8 70.1 104 104 A A T <<5S- 0 0 43 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.171 121.7-106.1-110.1 14.5 57.9 93.1 66.8 105 105 A G T < 5S+ 0 0 45 -3,-3.0 2,-0.5 1,-0.2 -3,-0.2 0.749 77.0 135.2 68.7 23.9 58.7 96.4 64.9 106 106 A V < - 0 0 4 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.915 49.3-140.1-110.7 126.2 55.5 96.2 62.9 107 107 A E E -a 2 0A 118 -106,-0.6 -104,-2.3 -2,-0.5 2,-0.3 -0.635 22.4-160.6 -81.3 137.6 53.3 99.3 62.4 108 108 A S E -a 3 0A 13 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.898 10.4-166.1-123.0 152.3 49.5 98.6 62.5 109 109 A Y E -a 4 0A 62 -106,-2.1 -104,-3.4 -2,-0.3 2,-0.5 -0.966 12.7-141.4-132.3 147.3 46.5 100.4 61.3 110 110 A V E -a 5 0A 9 -2,-0.3 2,-0.7 367,-0.2 366,-0.2 -0.949 9.3-169.4-118.1 121.2 42.8 99.9 62.2 111 111 A I E -a 6 0A 5 -106,-3.3 -104,-2.8 -2,-0.5 -94,-0.1 -0.929 21.8-146.3-108.7 112.1 40.0 100.2 59.7 112 112 A H - 0 0 8 -2,-0.7 -95,-0.4 -106,-0.2 -92,-0.2 -0.149 16.7-175.2 -71.1 168.1 36.6 100.1 61.5 113 113 A A - 0 0 0 -97,-0.1 268,-0.3 266,-0.1 266,-0.1 -0.938 45.7 -57.0-155.1 166.3 33.4 98.6 60.3 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.2 -0.275 58.9-159.3 -53.4 133.7 29.8 98.5 61.5 115 115 A S >> - 0 0 0 264,-0.3 4,-2.4 -29,-0.2 3,-1.0 -0.871 28.9-127.4-118.1 150.6 29.7 96.9 65.0 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.834 106.9 71.4 -62.7 -28.5 26.9 95.2 66.9 117 117 A Y H 34 S+ 0 0 12 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.819 112.2 24.5 -58.0 -35.0 27.8 97.6 69.8 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-2.5 1,-0.1 -1,-0.2 0.731 108.6 73.8-100.8 -28.3 26.4 100.6 67.9 119 119 A A H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.678 75.6 84.2 -58.1 -15.3 23.9 98.7 65.7 120 120 A V G ><> + 0 0 1 -4,-0.9 3,-2.3 1,-0.3 5,-0.6 0.711 69.2 82.4 -61.4 -15.8 21.8 98.4 68.8 121 121 A G G X 5S+ 0 0 1 -3,-2.5 3,-1.9 1,-0.3 -1,-0.3 0.798 75.3 69.6 -58.9 -27.5 20.5 101.8 67.9 122 122 A I G < 5S+ 0 0 5 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.616 85.9 68.5 -67.8 -10.2 18.1 100.1 65.5 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.583 111.8-118.3 -82.4 -11.3 16.2 98.8 68.6 124 124 A G T < 5S+ 0 0 2 -3,-1.9 2,-0.5 1,-0.3 125,-0.2 0.394 72.3 132.7 90.8 -6.3 15.1 102.3 69.4 125 125 A M < - 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0 0 44 -4,-0.1 2,-0.3 132,-0.0 -1,-0.2 -0.979 61.7-120.3-167.8 169.6 28.1 115.9 63.5 304 38 B L - 0 0 16 -2,-0.3 2,-1.1 -3,-0.1 3,-0.1 -0.902 20.8-124.9-121.6 158.1 30.4 116.7 60.7 305 39 B M > - 0 0 12 -2,-0.3 3,-1.8 1,-0.2 -28,-0.1 -0.752 30.1-174.3 -99.2 85.1 32.8 114.6 58.6 306 40 B A T 3 S+ 0 0 44 -2,-1.1 -1,-0.2 1,-0.3 -28,-0.1 0.586 74.6 60.3 -59.4 -13.2 35.9 116.5 59.2 307 41 B G T 3 S+ 0 0 18 -30,-1.7 -28,-0.3 -31,-0.1 -1,-0.3 0.240 112.7 21.8-101.6 15.8 38.0 114.5 56.8 308 42 B T S < S- 0 0 17 -3,-1.8 2,-0.3 -31,-0.2 -3,-0.1 -0.855 71.0-118.4-157.7-170.7 36.0 115.3 53.7 309 43 B T > - 0 0 72 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.900 31.9-107.9-137.8 167.4 33.6 117.7 52.1 310 44 B L H > S+ 0 0 68 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.874 119.6 57.8 -62.9 -36.1 30.1 117.6 50.7 311 45 B G H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 108.1 43.5 -60.4 -46.8 31.6 117.9 47.3 312 46 B R H > S+ 0 0 150 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 115.4 48.0 -69.1 -38.2 33.7 114.8 47.7 313 47 B I H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.967 113.7 48.7 -63.9 -47.4 30.9 112.8 49.2 314 48 B Q H X>S+ 0 0 73 -4,-3.3 4,-2.2 1,-0.2 5,-0.8 0.886 110.9 50.4 -57.8 -41.4 28.7 114.0 46.4 315 49 B K H <5S+ 0 0 174 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.902 110.9 49.3 -64.9 -42.0 31.3 113.0 43.8 316 50 B L H <5S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 115.1 42.7 -65.4 -41.1 31.6 109.5 45.4 317 51 B I H <5S- 0 0 4 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.844 96.2-139.4 -74.8 -34.3 27.9 108.9 45.4 318 52 B G T <5 + 0 0 63 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.671 68.1 103.9 80.6 17.8 27.3 110.3 42.0 319 53 B K S - 0 0 55 -2,-0.4 4,-2.0 -26,-0.1 5,-0.2 -0.329 34.3 -98.2 -86.1 173.1 19.0 121.4 58.7 326 60 B R H > S+ 0 0 125 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.900 127.1 46.5 -57.4 -42.5 18.1 120.3 62.2 327 61 B E H >>S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-1.4 0.886 105.9 58.7 -68.6 -39.3 14.7 121.9 61.8 328 62 B D H 45S+ 0 0 48 3,-0.2 4,-0.3 2,-0.2 7,-0.2 0.902 117.8 33.8 -54.4 -43.3 14.1 120.3 58.4 329 63 B V H X5S+ 0 0 1 -4,-2.0 4,-1.5 3,-0.2 -2,-0.2 0.975 122.8 40.7 -77.3 -61.7 14.6 116.9 60.0 330 64 B E H <5S+ 0 0 74 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.840 131.9 23.1 -59.7 -38.4 13.0 117.3 63.5 331 65 B L T <5S+ 0 0 101 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.835 135.3 25.8 -98.8 -38.2 10.1 119.4 62.4 332 66 B N T >>X>S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.3 5,-1.6 0.901 81.7 52.3 -48.4 -47.7 10.9 115.2 58.0 334 68 B E H 345S+ 0 0 73 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.657 114.9 40.5 -66.2 -17.4 7.4 114.0 56.9 335 69 B N H <45S+ 0 0 107 -3,-1.8 -1,-0.2 -7,-0.2 -2,-0.2 0.531 124.6 34.5-107.6 -8.6 6.9 116.9 54.5 336 70 B I H <<5S+ 0 0 47 -4,-1.5 4,-0.3 -3,-0.6 -3,-0.2 0.797 132.2 16.5-108.4 -49.7 10.4 117.1 53.0 337 71 B V T >X5S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.3 3,-0.6 0.918 118.5 55.0 -92.8 -51.2 11.7 113.5 52.9 338 72 B L T 344 S+ 0 0 68 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.921 107.6 45.5 -56.5 -43.2 6.6 112.4 50.4 340 74 B L G X4 S+ 0 0 44 -3,-0.6 3,-0.9 -4,-0.3 4,-0.4 0.783 103.2 64.1 -69.3 -29.1 9.3 111.5 47.8 341 75 B A G 3< S+ 0 0 0 -4,-1.1 -1,-0.2 1,-0.2 32,-0.2 0.552 88.7 73.0 -73.4 -5.8 9.8 108.1 49.4 342 76 B K G < S+ 0 0 91 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.791 116.6 13.8 -78.3 -30.2 6.2 107.2 48.4 343 77 B E S < S+ 0 0 166 -3,-0.9 2,-0.3 -4,-0.3 -2,-0.2 0.097 129.0 43.2-133.0 21.9 7.0 106.9 44.7 344 78 B N S S- 0 0 44 -4,-0.4 -76,-1.2 -49,-0.0 2,-0.6 -0.955 84.3 -98.3-156.0 169.0 10.8 106.7 44.7 345 79 B D E -n 268 0H 54 -2,-0.3 -51,-1.5 -78,-0.2 -50,-1.5 -0.870 46.2-169.3 -95.9 126.0 13.8 105.2 46.5 346 80 B V E -np 269 295H 0 -78,-3.1 -76,-3.9 -2,-0.6 2,-0.4 -0.945 12.1-158.2-123.5 142.3 15.1 107.7 49.0 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-2.9 -2,-0.4 2,-0.5 -0.888 2.9-163.8-116.9 148.1 18.3 107.8 51.0 348 82 B F E -np 271 297H 0 -78,-2.7 -76,-2.2 -2,-0.4 2,-0.3 -0.949 15.5-157.4-132.1 104.6 19.0 109.8 54.2 349 83 B L E +np 272 298H 0 -52,-3.3 -50,-1.6 -2,-0.5 -76,-0.2 -0.693 14.4 174.8 -89.6 139.0 22.7 110.0 55.0 350 84 B T E -n 273 0H 3 -78,-1.8 -76,-2.5 -2,-0.3 -75,-0.4 -0.983 37.6-101.4-138.2 147.3 24.0 110.8 58.5 351 85 B P S S- 0 0 14 0, 0.0 2,-0.2 0, 0.0 -75,-0.1 -0.379 91.4 -1.5 -65.4 149.4 27.6 110.8 59.9 352 86 B G B S-R 275 0I 15 -77,-1.9 -77,-1.3 -79,-0.1 -78,-0.4 -0.455 122.4 -15.9 75.6-142.6 28.5 107.7 61.8 353 87 B D S > S- 0 0 4 -80,-0.2 3,-1.4 -2,-0.2 4,-0.4 -0.844 77.1-107.9-102.8 132.5 25.9 104.9 62.3 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.230 99.5 21.5 -58.8 149.2 22.2 105.6 61.6 355 89 B L T 3 S+ 0 0 9 1,-0.1 6,-0.3 -233,-0.1 -228,-0.3 0.522 89.7 106.2 72.2 6.1 19.9 105.9 64.7 356 90 B V < + 0 0 22 -3,-1.4 -229,-0.4 -230,-0.1 -228,-0.2 0.911 57.6 85.6 -79.2 -44.5 22.8 106.5 67.1 357 91 B A S >> S- 0 0 29 -4,-0.4 3,-2.0 1,-0.1 4,-0.6 -0.395 94.6-120.5 -56.9 123.7 21.7 110.2 67.4 358 92 B T T 34 S+ 0 0 61 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.748 105.0 44.2 -37.6 -43.8 19.1 110.1 70.1 359 93 B T T 34 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.618 93.0 80.0 -86.9 -11.6 16.2 111.5 68.1 360 94 B H T X> S+ 0 0 4 -3,-2.0 3,-1.9 1,-0.2 4,-0.6 0.862 78.6 65.3 -65.9 -38.3 16.7 109.6 64.8 361 95 B A H >X S+ 0 0 7 -4,-0.6 3,-2.0 -3,-0.3 4,-0.7 0.913 95.6 62.4 -49.4 -42.1 15.0 106.3 65.8 362 96 B E H >> S+ 0 0 48 -3,-0.3 4,-1.6 -4,-0.3 3,-0.7 0.775 89.3 69.3 -55.5 -28.2 11.8 108.2 66.0 363 97 B L H <> S+ 0 0 3 -3,-1.9 4,-2.0 -4,-0.4 -1,-0.3 0.785 92.3 58.3 -63.1 -28.0 12.1 109.1 62.3 364 98 B R H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 3,-1.3 0.959 109.2 48.3 -59.2 -52.0 8.0 106.7 58.1 368 102 B K H ><5S+ 0 0 100 -4,-2.3 3,-2.3 1,-0.3 -1,-0.2 0.925 107.7 55.7 -53.7 -47.4 5.8 103.8 59.2 369 103 B R H 3<5S+ 0 0 157 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.717 106.9 51.7 -58.9 -22.1 3.0 106.4 59.9 370 104 B A T <<5S- 0 0 35 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.309 120.1-107.5 -97.6 7.3 3.3 107.6 56.3 371 105 B G T < 5S+ 0 0 41 -3,-2.3 2,-0.5 1,-0.3 -3,-0.2 0.782 76.6 138.9 72.1 25.3 3.0 104.1 54.8 372 106 B V < - 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