==== 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 25-MAR-07 2P9D . 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) . 21436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 10.7 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 . 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 24.3 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 0 0 0 5 1 1 5 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 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 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 85 0, 0.0 106,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 61.8 56.2 96.8 57.4 2 2 A V E -ab 79 107A 17 76,-1.2 78,-3.5 104,-0.1 2,-0.5 -0.945 360.0-151.6-129.1 147.8 52.7 97.6 58.7 3 3 A L E -ab 80 108A 0 104,-2.6 106,-2.2 -2,-0.4 2,-0.5 -0.974 11.7-160.5-118.0 127.2 49.9 95.7 60.3 4 4 A Y E -ab 81 109A 34 76,-3.2 78,-3.1 -2,-0.5 2,-0.8 -0.931 8.6-155.2-110.9 126.5 46.3 96.7 59.8 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.3 -2,-0.5 2,-0.5 -0.900 26.0-175.8 -96.4 111.8 43.5 95.6 62.2 6 6 A I E -ab 83 111A 0 76,-2.1 78,-1.7 -2,-0.8 2,-0.2 -0.948 18.2-143.1-120.1 123.2 40.4 95.8 60.0 7 7 A G E -a 84 0A 0 104,-2.5 10,-0.5 -2,-0.5 80,-0.2 -0.558 3.0-160.0 -80.6 144.8 36.9 95.2 61.1 8 8 A L - 0 0 3 76,-3.0 7,-0.3 78,-0.4 3,-0.2 0.499 40.3-128.2-100.5 -9.5 34.5 93.5 58.7 9 9 A G B -E 86 0B 0 77,-1.6 77,-3.4 75,-0.4 -1,-0.3 -0.342 31.8 -48.0 97.6-175.6 31.2 94.6 60.3 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.1 0.854 111.7 -7.5 -69.0 -53.8 27.9 93.2 61.7 11 11 A Y S S+ 0 0 55 1,-0.3 30,-2.0 199,-0.2 31,-0.4 0.790 113.2 11.4-123.5 -52.2 26.4 90.8 59.1 12 12 A D S > S- 0 0 19 29,-0.2 3,-2.2 198,-0.2 -1,-0.3 -0.768 79.5 -87.5-131.3 177.8 28.0 90.4 55.6 13 13 A E G > S+ 0 0 40 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.717 118.4 65.8 -59.8 -21.6 31.1 91.3 53.6 14 14 A R G 3 S+ 0 0 68 1,-0.2 271,-2.7 270,-0.1 272,-0.3 0.508 81.4 78.2 -80.1 -2.1 29.6 94.7 52.6 15 15 A D G < S+ 0 0 1 -3,-2.2 -1,-0.2 -7,-0.3 -5,-0.2 0.451 70.6 103.0 -84.1 0.3 29.6 95.9 56.2 16 16 A I S < S- 0 0 0 -3,-1.0 268,-2.4 97,-0.1 269,-0.3 -0.493 82.1-108.0 -76.1 152.6 33.4 96.6 55.9 17 17 A T B > -F 283 0C 2 -10,-0.5 4,-2.4 95,-0.4 266,-0.3 -0.458 19.8-116.7 -80.9 159.1 34.1 100.3 55.4 18 18 A V H > S+ 0 0 10 264,-2.5 4,-2.7 262,-0.4 5,-0.3 0.930 119.1 53.8 -57.1 -44.5 35.3 101.7 52.1 19 19 A K H > S+ 0 0 2 261,-2.7 4,-2.1 263,-0.3 5,-0.3 0.948 108.9 47.9 -54.3 -52.1 38.5 102.6 53.8 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.3 92,-0.2 -1,-0.2 0.869 112.1 49.3 -58.9 -40.0 39.0 99.1 55.1 21 21 A L H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.957 110.9 47.7 -65.8 -51.4 38.3 97.5 51.7 22 22 A E H X S+ 0 0 93 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.862 116.8 44.0 -59.1 -37.5 40.7 99.8 49.7 23 23 A I H < S+ 0 0 19 -4,-2.1 3,-0.4 -5,-0.3 -1,-0.2 0.875 113.8 50.3 -75.1 -37.7 43.5 99.1 52.3 24 24 A A H >< S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.3 -2,-0.2 0.875 103.8 59.3 -66.8 -38.9 42.7 95.4 52.5 25 25 A K H 3< S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 109.4 45.0 -60.5 -27.5 42.8 95.1 48.7 26 26 A K T 3< S+ 0 0 157 -4,-0.6 -1,-0.3 -3,-0.4 2,-0.2 0.268 85.7 111.6-103.4 10.0 46.4 96.4 48.7 27 27 A C < - 0 0 0 -3,-1.4 53,-0.2 1,-0.1 3,-0.1 -0.605 63.0-139.8 -84.0 146.1 47.9 94.3 51.5 28 28 A D S S+ 0 0 84 51,-1.8 2,-0.4 -2,-0.2 52,-0.2 0.904 87.2 21.9 -70.6 -41.7 50.5 91.7 50.7 29 29 A Y E -c 80 0A 107 50,-1.4 52,-2.1 24,-0.1 2,-0.4 -0.974 68.4-158.5-130.4 143.2 49.1 89.1 53.2 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.6 -2,-0.4 2,-0.3 -0.979 12.8 173.1-127.7 123.5 45.7 88.8 54.8 31 31 A F E +cd 82 56A 12 50,-3.1 52,-3.1 -2,-0.4 2,-0.3 -0.809 7.1 172.8-119.4 163.4 44.8 87.0 58.0 32 32 A A E -cd 83 57A 0 24,-1.7 26,-2.9 -2,-0.3 2,-0.4 -0.985 21.9-143.7-164.0 164.4 41.5 86.8 59.9 33 33 A E E - d 0 58A 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.991 8.4-177.4-136.6 142.3 39.6 85.2 62.8 34 34 A F + 0 0 54 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.171 64.6 87.9-131.5 38.8 36.0 84.3 63.0 35 35 A Y S S+ 0 0 18 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.582 75.2 65.2-110.5 -16.0 35.7 83.0 66.5 36 36 A T S S- 0 0 11 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.679 118.8 -9.5 -81.3 -16.9 34.9 86.3 68.4 37 37 A S - 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.954 70.0-105.1-164.0 177.7 31.6 86.7 66.6 38 38 A L - 0 0 34 -2,-0.3 2,-1.0 -28,-0.1 -3,-0.1 -0.977 11.5-161.0-123.2 124.8 29.4 85.4 63.8 39 39 A M > - 0 0 13 -2,-0.5 3,-1.0 1,-0.1 -28,-0.2 -0.853 16.1-174.4-101.7 93.8 28.8 87.2 60.5 40 40 A A T 3 S+ 0 0 39 -2,-1.0 -28,-0.1 -30,-0.4 -1,-0.1 0.645 70.9 54.6 -66.3 -20.7 25.5 85.4 59.5 41 41 A G T 3 S+ 0 0 17 -30,-2.0 2,-0.3 -31,-0.1 -1,-0.2 0.246 105.2 45.3-103.2 16.0 25.1 86.8 56.0 42 42 A T < - 0 0 20 -3,-1.0 2,-0.3 -31,-0.4 -3,-0.1 -0.885 61.2-140.0-146.1 176.4 28.4 86.0 54.4 43 43 A T > - 0 0 73 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.880 35.7-104.8-135.1 166.0 31.0 83.3 53.9 44 44 A L H > S+ 0 0 69 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.907 121.0 55.2 -58.6 -40.9 34.8 83.2 53.8 45 45 A G H > S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 105.9 49.4 -59.2 -44.7 34.6 82.9 50.0 46 46 A R H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 111.8 48.9 -63.2 -39.9 32.5 86.0 49.6 47 47 A I H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.933 112.3 48.8 -65.0 -45.4 34.9 88.0 51.7 48 48 A Q H X>S+ 0 0 55 -4,-2.6 4,-1.8 1,-0.2 5,-1.2 0.916 110.5 50.5 -60.3 -44.8 37.9 86.7 49.7 49 49 A K H <5S+ 0 0 187 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.909 110.3 51.3 -60.5 -42.2 36.2 87.6 46.4 50 50 A L H <5S+ 0 0 49 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 119.1 33.1 -62.8 -47.7 35.5 91.1 47.7 51 51 A I H <5S- 0 0 4 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.616 102.3-131.4 -86.0 -10.9 39.0 91.9 48.8 52 52 A G T <5 + 0 0 58 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.843 68.0 110.3 65.3 35.1 40.6 89.8 46.0 53 53 A K S - 0 0 38 -2,-0.4 4,-2.1 -26,-0.1 5,-0.2 -0.357 37.0 -99.9 -84.9 171.0 42.0 79.8 65.5 60 60 A R H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.875 127.0 50.3 -60.7 -35.5 41.8 81.3 68.9 61 61 A E H >>S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 5,-1.0 0.907 105.5 54.8 -69.4 -41.3 45.0 79.5 69.8 62 62 A D H >5S+ 0 0 35 3,-0.2 4,-0.7 2,-0.2 8,-0.3 0.915 119.0 35.6 -56.8 -42.6 46.8 80.7 66.6 63 63 A V H X5S+ 0 0 2 -4,-2.1 4,-1.8 3,-0.2 5,-0.2 0.984 120.7 41.4 -74.7 -64.3 46.0 84.3 67.7 64 64 A E H <5S+ 0 0 65 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.794 133.0 22.6 -58.7 -32.3 46.2 84.2 71.5 65 65 A L H <5S+ 0 0 103 -4,-2.1 -1,-0.2 -5,-0.3 -3,-0.2 0.732 136.1 26.2-107.3 -27.2 49.4 82.1 71.6 66 66 A N H >XS+ 0 0 0 -4,-1.8 4,-2.5 1,-0.3 5,-1.5 0.919 85.1 50.9 -51.0 -47.7 50.0 85.9 66.8 68 68 A E H 345S+ 0 0 77 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.589 116.0 42.7 -67.9 -9.7 53.7 87.0 67.0 69 69 A N H <45S+ 0 0 104 -3,-2.0 -2,-0.2 -7,-0.3 -1,-0.2 0.694 123.3 32.5-106.4 -27.4 54.8 83.8 65.2 70 70 A I H <5S+ 0 0 36 -4,-2.5 4,-0.2 -8,-0.3 -3,-0.2 0.820 132.8 17.9 -99.1 -38.1 52.1 83.6 62.5 71 71 A V T >X5S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.4 3,-0.9 0.890 115.4 56.4-101.0 -55.8 51.3 87.3 61.6 72 72 A L H 3>4 S+ 0 0 76 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.915 109.3 40.6 -51.9 -43.1 57.0 88.1 61.1 74 74 A L H X> S+ 0 0 55 -3,-0.9 3,-1.3 1,-0.2 4,-1.2 0.806 106.6 63.4 -74.2 -30.2 55.5 89.0 57.7 75 75 A A H 3< S+ 0 0 0 -4,-1.3 32,-0.2 1,-0.3 -1,-0.2 0.569 92.2 67.5 -70.9 -8.3 54.3 92.4 59.0 76 76 A K T << S+ 0 0 79 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.710 118.7 18.1 -83.8 -20.9 58.0 93.3 59.5 77 77 A E T <4 S+ 0 0 163 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.2 0.313 127.9 38.7-130.1 4.5 58.7 93.3 55.8 78 78 A N S < S- 0 0 42 -4,-1.2 -76,-1.2 -5,-0.1 2,-0.7 -0.893 84.4 -94.2-146.9 174.7 55.2 93.6 54.3 79 79 A D E -a 2 0A 54 -2,-0.3 -51,-1.8 -78,-0.2 -50,-1.4 -0.874 50.3-176.7 -96.4 113.9 51.8 95.3 54.6 80 80 A V E -ac 3 29A 0 -78,-3.5 -76,-3.2 -2,-0.7 2,-0.4 -0.917 14.5-157.5-119.8 143.1 49.6 92.8 56.5 81 81 A A E -ac 4 30A 0 -52,-2.1 -50,-3.1 -2,-0.4 2,-0.5 -0.908 4.5-161.7-118.2 144.4 46.0 92.9 57.5 82 82 A F E -ac 5 31A 0 -78,-3.1 -76,-2.1 -2,-0.4 -50,-0.3 -0.966 18.9-158.2-124.9 109.3 44.2 91.0 60.3 83 83 A L E +ac 6 32A 0 -52,-3.1 -50,-1.9 -2,-0.5 -76,-0.2 -0.653 14.3 173.5 -93.1 146.8 40.4 90.9 59.7 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-3.0 -2,-0.3 -75,-0.4 -0.976 36.8 -94.2-146.8 157.3 37.7 90.4 62.4 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.328 92.6 -12.2 -67.5 156.9 33.9 90.4 62.7 86 86 A G B S-E 9 0B 1 -77,-3.4 -77,-1.6 -79,-0.1 -78,-0.4 -0.192 129.8 -15.0 51.4-139.3 32.4 93.7 63.8 87 87 A D > - 0 0 0 446,-2.6 3,-1.5 -80,-0.2 25,-0.1 -0.859 68.6-132.1 -95.9 129.4 34.9 96.2 65.2 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.693 100.8 41.2 -53.9 -25.1 38.3 94.4 66.0 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.374 88.1 103.5-108.4 4.6 38.7 95.9 69.5 90 90 A V S < S- 0 0 0 -3,-1.5 -3,-0.1 443,-0.2 26,-0.1 -0.796 101.8 -17.4 -94.9 116.6 35.2 95.7 70.9 91 91 A A S S+ 0 0 40 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.900 118.1 94.7 58.4 41.9 34.5 92.8 73.3 92 92 A T S S- 0 0 23 -3,-0.5 -1,-0.3 441,-0.1 3,-0.2 -0.846 80.9-123.8-144.2 175.3 37.6 91.0 72.3 93 93 A T S > S+ 0 0 88 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 0.107 77.0 114.6-112.1 19.7 41.2 91.0 73.7 94 94 A H T > + 0 0 1 -6,-0.4 3,-1.2 1,-0.2 4,-0.5 0.703 57.5 75.5 -62.4 -23.9 42.6 92.0 70.3 95 95 A A T >> S+ 0 0 15 1,-0.3 3,-1.8 -3,-0.2 4,-0.6 0.906 89.1 58.5 -58.1 -38.8 43.8 95.4 71.7 96 96 A E H X> S+ 0 0 50 -3,-1.0 4,-1.6 1,-0.3 3,-0.7 0.751 91.2 71.6 -62.5 -23.5 46.7 93.7 73.5 97 97 A L H <> S+ 0 0 3 -3,-1.2 4,-1.9 -4,-0.4 -1,-0.3 0.771 89.4 60.3 -65.0 -23.9 47.8 92.4 70.1 98 98 A R H <> S+ 0 0 24 -3,-1.8 4,-2.1 -4,-0.5 -1,-0.3 0.812 101.1 53.8 -72.1 -29.9 48.9 96.0 69.2 99 99 A I H S+ 0 0 0 -4,-1.9 5,-3.1 1,-0.2 3,-0.4 0.921 107.7 52.2 -60.8 -44.4 53.1 94.4 67.4 102 102 A K H ><5S+ 0 0 102 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.932 108.2 50.9 -58.0 -46.4 55.0 97.3 69.0 103 103 A R H 3<5S+ 0 0 163 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.757 107.7 52.5 -64.8 -24.6 57.4 94.9 70.7 104 104 A A T 3<5S- 0 0 43 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.341 121.8-110.0 -90.9 6.2 58.1 93.2 67.4 105 105 A G T < 5S+ 0 0 33 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.836 73.8 138.4 70.1 32.8 58.9 96.6 65.9 106 106 A V < - 0 0 6 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.937 49.2-135.6-114.5 131.2 55.8 96.6 63.8 107 107 A E E -b 2 0A 103 -106,-1.1 -104,-2.6 -2,-0.5 2,-0.4 -0.616 24.8-161.9 -81.1 141.9 53.5 99.7 63.3 108 108 A S E -b 3 0A 17 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.964 11.0-169.3-130.4 146.7 49.8 99.0 63.5 109 109 A Y E -b 4 0A 51 -106,-2.2 -104,-3.1 -2,-0.4 2,-0.5 -0.961 15.0-137.9-131.2 148.9 46.7 100.9 62.4 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.933 9.5-167.8-115.2 126.9 43.1 100.2 63.2 111 111 A I E -b 6 0A 4 -106,-3.3 -104,-2.5 -2,-0.5 -94,-0.1 -0.947 21.6-146.6-111.8 110.9 40.2 100.5 60.7 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.135 16.4-175.0 -71.8 169.5 36.9 100.4 62.5 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.946 45.0 -60.6-155.9 165.0 33.6 98.9 61.2 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.300 58.2-159.8 -56.5 138.4 30.0 98.8 62.5 115 115 A S >> - 0 0 0 264,-0.3 4,-2.1 -29,-0.2 3,-1.0 -0.895 30.2-124.4-122.4 151.3 29.9 97.1 65.9 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.813 108.0 70.2 -62.2 -26.5 27.0 95.4 67.9 117 117 A Y H 34 S+ 0 0 11 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.859 111.2 26.8 -60.9 -37.5 27.9 97.8 70.7 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-2.1 1,-0.1 -1,-0.2 0.711 107.4 74.8 -96.5 -23.2 26.6 100.9 68.8 119 119 A A H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 4,-0.2 0.701 73.3 84.8 -61.8 -16.2 24.1 99.0 66.7 120 120 A V G ><> + 0 0 1 -4,-0.9 3,-2.4 1,-0.3 5,-0.5 0.733 69.7 82.2 -58.7 -17.9 22.0 98.7 69.9 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.808 76.7 68.1 -56.4 -28.1 20.7 102.1 68.8 122 122 A I G < 5S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.632 85.9 69.3 -69.1 -10.6 18.3 100.4 66.5 123 123 A T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.609 110.3-120.1 -80.9 -12.1 16.4 99.1 69.5 124 124 A G T < 5S+ 0 0 3 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.387 72.1 131.2 89.8 -6.4 15.2 102.6 70.2 125 125 A L S - 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0 0 49 -2,-0.4 4,-1.9 -26,-0.1 5,-0.2 -0.307 37.5 -97.4 -83.8 174.6 19.4 121.7 59.8 326 60 B R H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.904 127.7 46.7 -60.0 -43.6 18.4 120.5 63.3 327 61 B E H >>S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 5,-1.4 0.891 105.6 60.0 -66.7 -39.1 14.9 122.1 62.9 328 62 B D H >5S+ 0 0 36 3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.918 117.1 33.1 -52.9 -44.7 14.6 120.6 59.4 329 63 B V H X5S+ 0 0 1 -4,-1.9 4,-1.6 3,-0.2 -2,-0.2 0.986 123.1 41.1 -75.9 -64.5 14.9 117.2 61.0 330 64 B E H <5S+ 0 0 74 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.850 130.7 24.7 -55.6 -41.3 13.3 117.5 64.4 331 65 B L H <5S+ 0 0 103 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.841 135.0 24.5 -96.2 -35.3 10.4 119.6 63.3 332 66 B N H >XS+ 0 0 0 -4,-1.6 4,-2.2 1,-0.3 5,-1.5 0.898 81.1 54.6 -52.4 -42.9 11.3 115.4 58.8 334 68 B E H 345S+ 0 0 80 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.626 114.3 39.0 -69.3 -13.6 7.8 114.3 57.7 335 69 B N H <45S+ 0 0 112 -3,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.565 123.1 37.4-110.5 -13.8 7.5 117.1 55.2 336 70 B I H <5S+ 0 0 32 -4,-1.7 4,-0.3 -3,-0.3 -3,-0.2 0.822 132.1 15.7-102.9 -43.6 11.0 117.3 53.8 337 71 B V T X5S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 3,-0.3 0.904 118.4 54.2 -97.9 -54.0 12.1 113.7 53.6 338 72 B L H >4 S+ 0 0 60 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.967 111.2 40.1 -55.6 -50.9 7.0 112.7 51.1 340 74 B L H >4 S+ 0 0 51 -3,-0.3 3,-1.0 -4,-0.3 4,-0.4 0.835 109.1 60.8 -64.2 -34.4 9.7 111.8 48.6 341 75 B A H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 32,-0.2 0.639 88.4 78.2 -68.3 -12.4 10.3 108.5 50.3 342 76 B K T << S+ 0 0 91 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.880 116.6 7.2 -64.2 -40.7 6.7 107.7 49.5 343 77 B E S < S+ 0 0 130 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.041 127.1 55.5-132.9 28.1 7.4 106.8 45.9 344 78 B N S S- 0 0 41 -4,-0.4 -76,-1.1 -3,-0.1 2,-0.6 -0.959 85.0-102.1-150.8 162.5 11.2 106.9 45.7 345 79 B D E -n 268 0H 58 -2,-0.3 -51,-2.3 -53,-0.2 -50,-1.4 -0.838 48.3-174.7 -90.3 123.1 14.2 105.3 47.4 346 80 B V E -np 269 295H 0 -78,-2.8 -76,-3.4 -2,-0.6 2,-0.3 -0.943 14.9-154.3-124.5 145.4 15.6 108.0 49.8 347 81 B A E -np 270 296H 0 -52,-2.2 -50,-3.0 -2,-0.4 2,-0.5 -0.889 4.5-163.4-117.0 147.6 18.6 108.1 52.0 348 82 B F E -np 271 297H 0 -78,-2.6 -76,-2.1 -2,-0.3 2,-0.3 -0.948 19.9-158.2-130.0 104.9 19.2 110.1 55.2 349 83 B L E +np 272 298H 0 -52,-3.2 -50,-1.6 -2,-0.5 -76,-0.2 -0.661 14.1 175.4 -89.9 141.6 22.9 110.3 55.9 350 84 B T E -n 273 0H 3 -78,-1.9 -76,-3.0 -2,-0.3 -75,-0.4 -0.991 36.5-101.0-143.5 148.3 24.4 111.0 59.4 351 85 B P S S- 0 0 10 0, 0.0 2,-0.2 0, 0.0 -75,-0.2 -0.377 92.3 -1.0 -64.1 148.4 27.9 111.0 60.8 352 86 B G B S-R 275 0I 14 -77,-3.0 -77,-2.0 -79,-0.1 29,-0.2 -0.507 121.9 -18.6 77.4-138.8 28.7 107.9 62.8 353 87 B D S > S- 0 0 3 -2,-0.2 3,-1.3 -80,-0.2 4,-0.4 -0.904 76.4-107.4-109.7 131.7 26.1 105.1 63.2 354 88 B P T 3 S+ 0 0 3 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.190 99.8 23.5 -57.7 152.8 22.4 105.9 62.5 355 89 B L T 3 S+ 0 0 7 1,-0.1 -228,-0.3 -233,-0.1 6,-0.2 0.541 89.6 106.5 68.7 8.6 20.1 106.1 65.5 356 90 B V < + 0 0 25 -3,-1.3 -229,-0.4 -230,-0.1 -228,-0.2 0.915 57.5 85.0 -79.8 -46.6 22.9 106.8 67.9 357 91 B A S >> S- 0 0 28 -4,-0.4 3,-1.9 1,-0.1 4,-0.6 -0.354 94.9-118.9 -55.8 128.9 21.9 110.5 68.3 358 92 B T T 34 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.774 106.1 41.1 -40.6 -46.9 19.2 110.4 71.0 359 93 B T T 34 S+ 0 0 64 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.534 93.9 82.8 -87.1 -5.0 16.3 111.7 68.9 360 94 B H T X> S+ 0 0 4 -3,-1.9 3,-1.6 1,-0.2 4,-0.5 0.858 78.6 63.6 -70.3 -34.6 16.9 109.8 65.7 361 95 B A H >X S+ 0 0 7 -4,-0.6 3,-1.9 -3,-0.3 4,-0.6 0.902 96.6 60.8 -54.9 -40.3 15.2 106.5 66.6 362 96 B E H >> S+ 0 0 51 -4,-0.3 4,-1.7 1,-0.3 3,-0.8 0.765 89.1 71.8 -59.4 -24.2 11.9 108.3 66.8 363 97 B L H <> S+ 0 0 2 -3,-1.6 4,-1.8 -4,-0.4 -1,-0.3 0.794 90.7 58.5 -63.1 -27.2 12.3 109.3 63.1 364 98 B R H <>S+ 0 0 0 -4,-1.8 5,-2.8 2,-0.2 3,-0.6 0.946 109.1 48.9 -60.1 -49.6 8.3 106.9 58.8 368 102 B K H ><5S+ 0 0 100 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.928 109.2 52.8 -55.4 -48.0 6.0 104.1 59.9 369 103 B R H 3<5S+ 0 0 162 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.762 108.0 52.1 -60.1 -26.8 3.2 106.6 60.4 370 104 B A T <<5S- 0 0 35 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.391 119.3-111.0 -91.3 3.8 3.7 107.9 56.9 371 105 B G T < 5S+ 0 0 36 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.785 74.2 138.2 72.4 26.5 3.4 104.4 55.5 372 106 B V < - 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