==== 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 17-MAR-07 2P6D . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YAMAMOTO,M.TAKETA,Y.MORIKAWA,Y.MATSUURA,N.KUNISHIMA,RIKEN . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.4 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 . 49 9.2 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 . 70 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 23.9 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 6 0 0 0 4 4 0 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 0 3 3 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 1 3 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 0 131 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 50.3 55.6 96.8 55.5 2 2 A V E -a 107 0A 16 76,-0.4 78,-3.0 104,-0.1 2,-0.4 -0.935 360.0-122.9-134.2 169.0 52.6 97.6 57.9 3 3 A L E -ab 108 80A 0 104,-3.1 106,-2.1 -2,-0.3 2,-0.5 -0.933 18.2-156.1-114.5 132.5 49.7 95.7 59.4 4 4 A Y E -ab 109 81A 31 76,-3.7 78,-3.5 -2,-0.4 2,-0.8 -0.911 6.7-158.1-110.1 125.5 46.1 96.7 58.9 5 5 A F E -ab 110 82A 0 104,-3.2 106,-2.9 -2,-0.5 2,-0.5 -0.901 26.3-176.0 -96.4 109.4 43.3 95.7 61.4 6 6 A I E -ab 111 83A 0 76,-2.2 78,-1.5 -2,-0.8 2,-0.2 -0.931 18.7-141.1-119.0 122.7 40.2 95.9 59.2 7 7 A G E - b 0 84A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.482 4.6-161.3 -76.8 145.0 36.6 95.4 60.4 8 8 A L - 0 0 2 76,-2.6 7,-0.3 78,-0.5 3,-0.2 0.511 39.1-127.1-101.7 -8.9 34.2 93.6 58.1 9 9 A G B -E 86 0B 1 77,-1.5 77,-3.8 75,-0.3 -1,-0.3 -0.379 33.0 -52.6 98.0-173.7 31.0 94.8 59.7 10 10 A L S S- 0 0 2 75,-0.2 30,-0.3 -2,-0.1 -1,-0.1 0.871 110.8 -4.7 -76.9 -45.2 27.8 93.3 61.1 11 11 A Y S S+ 0 0 54 1,-0.3 30,-2.0 199,-0.2 31,-0.3 0.779 113.0 13.2-125.1 -51.6 26.2 90.9 58.5 12 12 A D S > S- 0 0 22 29,-0.2 3,-2.0 198,-0.1 -1,-0.3 -0.753 81.3 -87.5-130.4-179.8 27.7 90.6 55.0 13 13 A E G > S+ 0 0 29 1,-0.3 3,-0.5 -2,-0.2 271,-0.1 0.566 118.6 66.2 -66.1 -5.3 30.8 91.5 53.0 14 14 A R G 3 S+ 0 0 91 1,-0.2 271,-2.5 270,-0.1 270,-0.5 0.598 77.5 77.9 -97.1 -10.9 29.3 94.8 52.2 15 15 A D G < S+ 0 0 2 -3,-2.0 -1,-0.2 -7,-0.3 2,-0.2 0.362 72.5 106.8 -74.0 4.0 29.3 96.2 55.7 16 16 A I S < S- 0 0 1 -3,-0.5 268,-2.7 97,-0.1 269,-0.4 -0.614 80.2-110.6 -75.6 152.5 33.0 96.8 55.2 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.4 95,-0.3 266,-0.3 -0.522 18.4-118.1 -82.5 152.7 33.8 100.5 54.7 18 18 A V H > S+ 0 0 11 264,-2.5 4,-2.5 262,-0.4 5,-0.3 0.934 117.9 56.7 -52.1 -42.9 34.9 101.7 51.4 19 19 A K H > S+ 0 0 12 261,-2.5 4,-1.2 263,-0.4 -1,-0.2 0.913 108.5 46.8 -54.7 -43.2 38.2 102.7 53.2 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -1,-0.2 0.882 111.3 50.7 -67.8 -38.9 38.6 99.2 54.3 21 21 A L H X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.938 110.4 47.1 -65.8 -47.6 37.9 97.6 50.9 22 22 A M H X S+ 0 0 83 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.770 117.3 43.2 -67.4 -26.2 40.3 99.8 48.9 23 23 A I H >< S+ 0 0 30 -4,-1.2 3,-0.6 -5,-0.3 4,-0.4 0.867 112.5 52.3 -85.1 -39.4 43.1 99.2 51.4 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.876 104.9 57.7 -61.8 -37.1 42.3 95.5 51.7 25 25 A K H 3< S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 109.1 45.9 -62.3 -31.2 42.5 95.3 47.9 26 26 A K T << S+ 0 0 166 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.367 86.7 108.2 -96.0 3.6 46.0 96.6 48.0 27 27 A C < - 0 0 0 -3,-1.1 53,-0.2 -4,-0.4 3,-0.1 -0.476 63.2-141.5 -79.2 154.3 47.5 94.5 50.7 28 28 A D S S+ 0 0 92 51,-2.1 2,-0.4 1,-0.2 52,-0.2 0.857 86.0 25.0 -83.4 -36.0 50.0 91.8 49.8 29 29 A Y E -c 80 0A 106 50,-1.8 52,-1.9 24,-0.1 2,-0.5 -0.980 68.6-159.2-130.8 142.3 48.7 89.3 52.4 30 30 A V E +cd 81 55A 9 24,-0.5 26,-2.2 -2,-0.4 2,-0.3 -0.968 11.9 175.3-128.9 119.7 45.3 88.9 53.9 31 31 A F E +cd 82 56A 9 50,-3.4 52,-3.0 -2,-0.5 2,-0.3 -0.732 6.4 175.6-113.4 165.5 44.5 87.1 57.2 32 32 A A E -cd 83 57A 0 24,-1.6 26,-3.9 50,-0.3 2,-0.3 -0.992 20.4-148.6-164.9 161.3 41.2 86.8 59.1 33 33 A E E - d 0 58A 0 50,-1.6 26,-0.1 -2,-0.3 24,-0.0 -0.989 6.6-176.4-136.3 143.6 39.3 85.2 62.0 34 34 A F + 0 0 56 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.198 65.4 86.8-133.4 42.2 35.7 84.3 62.3 35 35 A Y S S+ 0 0 18 23,-0.1 135,-0.4 3,-0.1 136,-0.1 0.578 75.7 63.8-114.3 -19.3 35.5 83.1 65.9 36 36 A T S S- 0 0 16 1,-0.2 2,-0.3 133,-0.1 -2,-0.1 0.645 119.6 -7.4 -81.0 -14.7 34.8 86.4 67.7 37 37 A S - 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.2 -0.983 70.0-105.6-167.8 171.4 31.5 86.9 66.0 38 38 A L - 0 0 33 -2,-0.3 2,-1.2 -3,-0.1 3,-0.1 -0.935 11.6-163.7-118.7 119.5 29.1 85.5 63.3 39 39 A M > - 0 0 14 -2,-0.5 3,-1.3 1,-0.2 -28,-0.2 -0.731 16.0-177.3 -97.0 84.7 28.5 87.2 59.9 40 40 A A T 3 + 0 0 40 -2,-1.2 -1,-0.2 -30,-0.3 -28,-0.1 0.592 69.1 57.4 -60.0 -17.1 25.3 85.4 59.0 41 41 A G T 3 S+ 0 0 18 -30,-2.0 2,-0.3 -3,-0.1 -1,-0.2 0.260 103.5 41.1-105.0 16.4 24.8 86.9 55.5 42 42 A T < - 0 0 21 -3,-1.3 2,-0.3 -31,-0.3 -3,-0.1 -0.889 61.8-134.7-148.7 177.7 28.1 86.1 53.7 43 43 A T > - 0 0 70 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.863 34.5-107.3-132.4 167.1 30.7 83.4 53.0 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.886 119.3 57.9 -62.5 -36.4 34.5 83.4 52.9 45 45 A G H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 104.4 48.0 -59.9 -45.6 34.2 83.1 49.1 46 46 A R H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 112.5 49.5 -65.7 -35.9 32.2 86.3 48.7 47 47 A I H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.956 112.7 47.6 -66.5 -47.2 34.6 88.2 50.9 48 48 A Q H X>S+ 0 0 44 -4,-2.8 4,-2.6 1,-0.2 5,-1.1 0.893 112.8 49.2 -59.5 -40.1 37.5 86.9 48.9 49 49 A K H <5S+ 0 0 189 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.890 112.5 47.2 -66.6 -38.8 35.7 87.7 45.6 50 50 A L H <5S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.819 120.2 37.4 -72.8 -33.7 35.0 91.3 46.8 51 51 A I H <5S- 0 0 5 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.769 102.4-129.9 -92.3 -27.7 38.5 92.0 48.0 52 52 A G T <5S+ 0 0 57 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.816 70.4 96.9 82.6 28.3 40.3 90.1 45.2 53 53 A K S - 0 0 35 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.443 34.0-100.5 -90.7 169.2 41.9 80.0 64.6 60 60 A R H > S+ 0 0 108 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.882 125.6 46.1 -58.0 -40.3 41.7 81.5 68.1 61 61 A E H >>S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 5,-1.3 0.905 107.2 56.0 -72.1 -39.7 44.9 79.7 69.1 62 62 A D H >5S+ 0 0 40 3,-0.2 4,-0.7 1,-0.2 8,-0.3 0.943 119.4 35.4 -53.5 -40.8 46.7 80.7 65.9 63 63 A V H X5S+ 0 0 1 -4,-2.3 4,-1.0 3,-0.2 -2,-0.2 0.950 120.9 42.7 -75.3 -58.3 45.9 84.3 66.9 64 64 A E H <5S+ 0 0 68 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.653 133.6 19.1 -68.0 -19.6 46.1 84.3 70.7 65 65 A L H <5S+ 0 0 105 -4,-2.1 -3,-0.2 -5,-0.2 3,-0.2 0.689 135.2 29.6-116.6 -38.5 49.3 82.2 70.8 66 66 A N H >XS+ 0 0 0 -4,-1.0 4,-2.1 1,-0.3 5,-1.6 0.960 84.3 47.5 -55.4 -48.1 49.9 85.9 65.9 68 68 A E H 345S+ 0 0 81 1,-0.2 -1,-0.3 3,-0.2 -2,-0.1 0.517 116.5 45.2 -71.4 -4.9 53.6 87.1 66.1 69 69 A N H <45S+ 0 0 100 -3,-1.3 -1,-0.2 -7,-0.2 -2,-0.2 0.707 123.7 30.0-104.9 -33.4 54.7 83.9 64.3 70 70 A I H <5S+ 0 0 31 -4,-2.7 4,-0.4 -8,-0.3 -3,-0.2 0.879 134.2 17.5 -92.2 -51.4 52.1 83.7 61.6 71 71 A V T >X5S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.4 3,-0.6 0.917 115.7 57.8 -93.4 -53.5 51.1 87.3 60.8 72 72 A L H >>4 S+ 0 0 66 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.945 104.4 47.1 -53.5 -48.3 56.7 88.2 60.2 74 74 A L H X> S+ 0 0 51 -3,-0.6 4,-3.1 -4,-0.4 3,-0.9 0.738 104.2 63.0 -65.7 -23.3 55.1 89.0 56.8 75 75 A A H << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.6 32,-0.2 0.770 88.4 67.3 -74.0 -25.5 54.3 92.6 57.9 76 76 A K T << S+ 0 0 95 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.677 122.0 18.6 -68.2 -11.8 58.0 93.5 58.3 77 77 A E T <4 S+ 0 0 141 -3,-0.9 -2,-0.2 -4,-0.3 2,-0.2 0.691 127.9 36.6-119.0 -50.0 58.3 93.1 54.5 78 78 A N S < S- 0 0 39 -4,-3.1 2,-0.6 -5,-0.1 -76,-0.4 -0.503 82.5 -98.5-108.0 175.7 54.7 93.4 53.1 79 79 A D - 0 0 49 -78,-0.3 -51,-2.1 -2,-0.2 -50,-1.8 -0.887 48.0-171.0 -99.0 118.2 51.5 95.1 53.7 80 80 A V E -bc 3 29A 0 -78,-3.0 -76,-3.7 -2,-0.6 2,-0.4 -0.892 14.0-158.6-119.1 146.9 49.2 92.8 55.7 81 81 A A E -bc 4 30A 0 -52,-1.9 -50,-3.4 -2,-0.4 2,-0.5 -0.957 3.6-161.5-123.3 140.0 45.6 93.0 56.6 82 82 A F E -bc 5 31A 0 -78,-3.5 -76,-2.2 -2,-0.4 2,-0.3 -0.963 18.5-158.2-121.0 108.3 43.9 91.1 59.5 83 83 A L E +bc 6 32A 0 -52,-3.0 -50,-1.6 -2,-0.5 -76,-0.2 -0.654 15.1 172.0 -91.6 146.2 40.1 91.0 59.0 84 84 A T E -b 7 0A 0 -78,-1.5 -76,-2.6 -2,-0.3 -75,-0.3 -0.976 37.5 -94.4-146.6 157.2 37.5 90.5 61.7 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.337 92.0 -12.0 -68.8 158.5 33.7 90.6 62.0 86 86 A G B S-E 9 0B 2 -77,-3.8 -77,-1.5 -79,-0.1 -78,-0.5 -0.176 129.4 -13.5 51.8-138.6 32.2 93.9 63.1 87 87 A D > - 0 0 0 446,-2.5 3,-1.0 -80,-0.2 25,-0.1 -0.827 69.0-130.1 -94.9 133.8 34.8 96.3 64.5 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.3 0, 0.0 7,-0.1 0.724 101.2 38.9 -56.0 -25.9 38.2 94.7 65.2 89 89 A L T > S+ 0 0 9 5,-0.1 3,-0.8 444,-0.1 2,-0.7 0.495 86.6 108.4-105.5 -3.5 38.6 96.0 68.8 90 90 A V T < S- 0 0 0 -3,-1.0 -3,-0.1 443,-0.3 26,-0.1 -0.664 99.8 -18.7 -90.2 117.0 35.1 95.8 70.2 91 91 A A T 3 S+ 0 0 41 -2,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.883 119.0 94.9 58.0 44.9 34.5 93.1 72.8 92 92 A T S < S- 0 0 22 -3,-0.8 -1,-0.3 441,-0.1 301,-0.2 -0.817 79.7-123.7-139.7 178.9 37.6 91.2 71.7 93 93 A T S > S+ 0 0 83 -2,-0.2 3,-0.8 1,-0.1 4,-0.4 -0.052 77.2 112.5-113.2 26.2 41.2 91.2 72.9 94 94 A H T >> + 0 0 0 -6,-0.3 3,-1.8 1,-0.2 4,-0.6 0.819 60.6 73.8 -70.0 -26.8 42.6 92.1 69.5 95 95 A A H >> S+ 0 0 15 1,-0.3 3,-1.4 2,-0.2 4,-0.8 0.868 90.4 60.5 -49.4 -35.0 43.7 95.5 70.8 96 96 A E H <> S+ 0 0 49 -3,-0.8 4,-1.2 1,-0.3 3,-0.3 0.775 91.7 65.6 -65.2 -27.5 46.5 93.7 72.6 97 97 A L H <> S+ 0 0 3 -3,-1.8 4,-2.1 -4,-0.4 -1,-0.3 0.743 90.7 64.8 -75.0 -10.5 47.8 92.5 69.3 98 98 A R H <>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-1.2 0.945 108.5 50.9 -55.6 -48.5 52.9 94.5 66.6 102 102 A K H ><5S+ 0 0 104 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.915 105.6 54.0 -57.1 -47.2 54.7 97.4 68.2 103 103 A R H 3<5S+ 0 0 157 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.650 107.0 53.2 -64.9 -12.9 57.2 95.2 70.0 104 104 A A T <<5S- 0 0 45 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.282 120.5-106.7-102.9 7.9 58.1 93.6 66.6 105 105 A G T < 5S+ 0 0 50 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.835 75.6 137.6 70.9 31.8 58.8 96.9 64.9 106 106 A V < - 0 0 8 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.946 48.9-137.5-115.8 127.9 55.6 96.7 62.9 107 107 A E E -a 2 0A 119 -106,-0.6 -104,-3.1 -2,-0.5 2,-0.3 -0.598 23.2-162.7 -78.4 136.1 53.3 99.7 62.4 108 108 A S E -a 3 0A 16 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.914 9.3-168.8-123.9 152.0 49.6 99.0 62.7 109 109 A Y E -a 4 0A 46 -106,-2.1 -104,-3.2 -2,-0.3 2,-0.5 -0.969 13.2-139.9-134.5 150.2 46.5 100.9 61.6 110 110 A V E -a 5 0A 6 -2,-0.3 2,-0.6 368,-0.2 -104,-0.2 -0.940 9.3-169.1-117.6 130.1 42.9 100.4 62.4 111 111 A I E -a 6 0A 3 -106,-2.9 -104,-2.4 -2,-0.5 -94,-0.1 -0.972 22.6-143.8-116.5 115.8 40.0 100.7 60.0 112 112 A H - 0 0 7 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.244 17.4-174.7 -77.7 162.0 36.6 100.7 61.8 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.958 44.3 -63.3-147.7 165.3 33.4 99.1 60.7 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.262 57.4-159.5 -54.4 131.7 29.8 99.0 62.0 115 115 A S >> - 0 0 0 264,-0.3 4,-2.1 -29,-0.2 3,-1.0 -0.855 30.1-123.2-116.8 152.5 29.7 97.3 65.4 116 116 A I T 34 S+ 0 0 0 -2,-0.3 4,-0.4 1,-0.3 -1,-0.1 0.825 109.2 69.4 -61.0 -28.3 26.9 95.6 67.3 117 117 A Y T 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.831 110.9 27.6 -60.6 -37.0 27.8 98.0 70.1 118 118 A S T X4 S+ 0 0 0 -3,-1.0 3,-1.8 1,-0.1 -1,-0.2 0.689 108.3 73.8 -97.1 -21.5 26.5 101.0 68.2 119 119 A A G >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.3 -2,-0.2 0.489 74.2 83.6 -68.8 -4.8 23.9 99.1 66.2 120 120 A V G > >S+ 0 0 1 -4,-0.4 3,-1.9 1,-0.2 5,-0.6 0.631 70.2 81.7 -70.4 -13.2 21.8 98.8 69.3 121 121 A G G X 5S+ 0 0 1 -3,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.766 75.9 69.5 -62.6 -23.0 20.6 102.2 68.3 122 122 A I G < 5S+ 0 0 4 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.619 86.0 69.3 -70.4 -9.9 18.2 100.5 65.9 123 123 A T G < 5S- 0 0 0 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.604 111.9-117.5 -81.2 -13.3 16.2 99.2 68.9 124 124 A G T < 5S+ 0 0 2 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.353 73.3 130.8 93.2 -6.9 15.1 102.8 69.7 125 125 A L S - 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0 0 43 49,-0.0 -1,-0.4 2,-0.0 2,-0.3 -0.939 61.8-126.0-179.8 163.2 28.2 116.3 63.9 304 38 B L - 0 0 40 -2,-0.3 2,-0.9 -3,-0.1 3,-0.1 -0.817 21.8-123.1-120.4 162.8 30.5 117.2 61.0 305 39 B M > - 0 0 14 -2,-0.3 3,-1.6 1,-0.1 -28,-0.1 -0.859 27.9-173.5-105.9 91.7 32.9 115.0 59.0 306 40 B A T 3 S+ 0 0 44 -2,-0.9 -1,-0.1 -30,-0.3 -28,-0.1 0.637 76.0 60.8 -64.1 -14.5 36.1 117.0 59.6 307 41 B G T 3 S+ 0 0 19 -30,-1.8 -1,-0.3 -31,-0.1 2,-0.2 0.307 112.8 17.5 -97.6 12.0 38.1 114.9 57.2 308 42 B T S < S- 0 0 15 -3,-1.6 2,-0.3 -31,-0.2 -3,-0.1 -0.815 71.0-115.2-157.0-169.5 36.1 115.6 54.1 309 43 B T > - 0 0 75 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.949 30.9-109.7-137.5 168.1 33.5 118.0 52.4 310 44 B L H > S+ 0 0 63 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.916 119.8 56.8 -65.7 -32.6 30.1 118.0 51.2 311 45 B G H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 107.6 45.6 -60.6 -42.5 31.6 118.3 47.7 312 46 B R H > S+ 0 0 151 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.825 112.1 52.1 -76.5 -24.2 33.7 115.2 48.1 313 47 B I H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.941 110.9 47.7 -70.3 -41.8 30.8 113.3 49.5 314 48 B Q H X>S+ 0 0 55 -4,-2.7 4,-2.1 1,-0.2 5,-0.9 0.830 110.0 52.5 -67.9 -33.7 28.6 114.2 46.6 315 49 B K H <5S+ 0 0 171 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.870 110.3 47.9 -69.4 -36.6 31.3 113.3 44.1 316 50 B L H <5S+ 0 0 49 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 118.5 39.2 -73.1 -35.0 31.7 109.9 45.6 317 51 B I H <5S- 0 0 4 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.779 96.9-140.4 -85.0 -26.0 28.0 109.2 45.6 318 52 B G T <5 + 0 0 62 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.814 66.9 104.4 70.2 29.9 27.4 110.8 42.2 319 53 B K S - 0 0 55 -2,-0.4 4,-1.8 -26,-0.1 5,-0.2 -0.308 34.7 -99.2 -84.0 175.1 19.0 121.8 59.1 326 60 B R H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.937 126.7 47.1 -62.9 -41.6 18.1 120.7 62.6 327 61 B E H >>S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 5,-1.0 0.920 106.0 58.9 -64.6 -40.6 14.7 122.3 62.3 328 62 B D H >5S+ 0 0 36 3,-0.2 4,-0.7 2,-0.2 7,-0.2 0.898 116.9 34.4 -52.4 -43.5 14.2 120.8 58.8 329 63 B V H X5S+ 0 0 1 -4,-1.8 4,-1.5 3,-0.2 5,-0.2 0.987 122.5 39.1 -76.4 -65.7 14.6 117.4 60.5 330 64 B E H <5S+ 0 0 72 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.800 130.8 27.7 -58.6 -34.6 13.0 117.6 63.9 331 65 B L H <5S+ 0 0 102 -4,-2.3 -1,-0.2 -5,-0.4 -3,-0.2 0.750 135.3 20.0-102.1 -26.3 10.1 119.8 62.8 332 66 B N H >XS+ 0 0 1 -4,-1.5 5,-1.9 1,-0.3 4,-1.8 0.911 82.5 53.3 -51.5 -42.3 11.0 115.5 58.3 334 68 B E H 345S+ 0 0 78 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.636 113.1 41.0 -72.8 -12.7 7.5 114.4 57.3 335 69 B N H <45S+ 0 0 118 -3,-1.4 -1,-0.2 -7,-0.2 -2,-0.2 0.531 124.9 32.7-111.4 -6.6 6.9 117.3 54.8 336 70 B I H <5S+ 0 0 29 -4,-1.5 4,-0.3 -3,-0.3 -3,-0.2 0.785 132.0 18.4-110.4 -48.1 10.4 117.5 53.2 337 71 B V T X5S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.4 3,-0.2 0.868 117.5 54.8 -96.3 -47.1 11.7 113.9 53.2 338 72 B L H >4 S+ 0 0 68 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.932 108.0 46.5 -55.7 -46.5 6.6 112.7 50.7 340 74 B L H >> S+ 0 0 51 -4,-0.3 3,-1.1 1,-0.3 4,-0.6 0.833 104.5 62.6 -62.3 -35.1 9.4 112.0 48.2 341 75 B A H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 1,-0.2 32,-0.2 0.585 90.0 69.9 -70.6 -7.9 9.9 108.5 49.8 342 76 B K T << S+ 0 0 117 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.711 116.2 18.6 -83.4 -20.4 6.3 107.5 48.8 343 77 B E T <4 S+ 0 0 166 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.2 0.212 128.9 36.4-132.4 14.9 7.1 107.4 45.0 344 78 B N S < S- 0 0 46 -4,-0.6 -76,-1.1 -76,-0.0 2,-0.6 -0.956 86.0 -94.5-156.4 169.5 10.9 107.1 45.0 345 79 B D E -n 268 0H 58 -2,-0.3 -51,-1.8 -53,-0.2 -50,-1.5 -0.859 46.9-167.3 -93.7 121.6 13.8 105.6 46.9 346 80 B V E -np 269 295H 0 -78,-2.9 -76,-3.4 -2,-0.6 2,-0.4 -0.908 10.3-155.7-115.7 141.9 15.1 108.2 49.3 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.5 -2,-0.4 2,-0.5 -0.934 2.4-164.6-116.9 137.1 18.4 108.3 51.3 348 82 B F E -np 271 297H 0 -78,-3.1 -76,-2.5 -2,-0.4 2,-0.4 -0.963 14.8-157.6-121.8 109.6 19.0 110.2 54.5 349 83 B L E +np 272 298H 0 -52,-3.4 -50,-1.6 -2,-0.5 -76,-0.2 -0.763 14.7 174.1 -95.1 131.5 22.6 110.5 55.4 350 84 B T E -n 273 0H 3 -78,-1.8 -76,-2.7 -2,-0.4 -75,-0.4 -0.968 37.1-103.3-131.9 147.0 23.9 111.1 58.9 351 85 B P S S- 0 0 14 0, 0.0 2,-0.3 0, 0.0 -75,-0.2 -0.397 89.8 -2.1 -65.9 147.4 27.5 111.2 60.2 352 86 B G B S-R 275 0I 14 -77,-2.8 -77,-2.0 29,-0.1 29,-0.2 -0.534 123.7 -14.3 79.9-138.7 28.5 108.1 62.1 353 87 B D S > S- 0 0 4 -2,-0.3 3,-1.3 -80,-0.2 4,-0.4 -0.923 77.4-111.3-104.1 133.9 26.0 105.3 62.7 354 88 B P T 3 S+ 0 0 1 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.265 98.9 22.7 -61.9 150.6 22.3 106.2 62.0 355 89 B L T 3 S+ 0 0 7 1,-0.1 6,-0.3 -233,-0.1 -228,-0.3 0.434 90.2 106.1 69.0 6.3 19.9 106.3 65.0 356 90 B V < + 0 0 22 -3,-1.3 -229,-0.4 -230,-0.1 -228,-0.2 0.960 57.7 85.6 -73.5 -49.4 22.8 106.9 67.5 357 91 B A S >> S- 0 0 27 -4,-0.4 3,-1.8 1,-0.1 4,-0.6 -0.303 94.1-121.4 -54.7 125.7 21.7 110.6 67.8 358 92 B T T 34 S+ 0 0 62 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.824 105.5 43.6 -37.9 -54.3 19.1 110.4 70.5 359 93 B T T 34 S+ 0 0 65 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.576 94.8 80.3 -75.2 -11.6 16.2 112.0 68.5 360 94 B H T X> S+ 0 0 4 -3,-1.8 3,-2.3 1,-0.2 4,-0.5 0.865 78.5 63.8 -70.9 -36.0 16.7 110.0 65.2 361 95 B A H >X S+ 0 0 7 -4,-0.6 3,-2.7 -3,-0.5 4,-0.6 0.936 96.6 61.3 -51.6 -47.6 15.1 106.6 66.1 362 96 B E H 3> S+ 0 0 53 -4,-0.3 4,-1.6 1,-0.3 -1,-0.3 0.615 89.2 71.5 -52.8 -18.3 11.7 108.5 66.4 363 97 B L H <> S+ 0 0 2 -3,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.793 90.6 58.7 -71.1 -24.6 12.1 109.4 62.7 364 98 B R H S+ 0 0 0 -4,-1.9 5,-3.1 2,-0.2 -1,-0.2 0.900 109.3 49.9 -59.8 -42.9 7.9 107.1 58.4 368 102 B K H ><5S+ 0 0 108 -4,-2.1 3,-2.3 1,-0.2 -1,-0.2 0.963 109.2 52.7 -58.4 -47.9 5.7 104.2 59.6 369 103 B R H 3<5S+ 0 0 167 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 108.5 51.0 -55.5 -32.1 2.9 106.7 60.2 370 104 B A T 3<5S- 0 0 36 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.353 119.3-111.0 -89.3 6.5 3.3 108.0 56.7 371 105 B G T < 5S+ 0 0 45 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.795 72.7 141.2 69.4 27.7 3.1 104.5 55.3 372 106 B V < - 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