==== 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 08-AUG-07 2Z6R . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,Y.MATSUURA,B.S.KRISHNA SWAMY,D.K.SIMANSHU,M.R.N.M . 530 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 9.1 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 . 35 6.6 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 . 134 25.3 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 6 0 1 0 3 4 0 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 4 2 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 2 A V 0 0 42 0, 0.0 78,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 170.4 53.6 97.0 59.3 2 3 A L E -ab 79 107A 0 104,-2.9 106,-2.4 76,-0.2 2,-0.5 -0.964 360.0-160.8-119.0 127.9 50.6 95.2 60.8 3 4 A Y E -ab 80 108A 35 76,-2.9 78,-2.8 -2,-0.5 2,-0.7 -0.927 7.1-156.0-110.0 125.8 47.0 96.2 60.0 4 5 A F E -ab 81 109A 0 104,-3.1 106,-3.1 -2,-0.5 2,-0.5 -0.902 24.3-174.5 -97.6 114.7 44.1 95.1 62.3 5 6 A I E -ab 82 110A 0 76,-2.3 78,-1.7 -2,-0.7 2,-0.2 -0.953 17.7-142.8-121.0 122.8 41.1 95.2 60.0 6 7 A G E -a 83 0A 0 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.567 4.1-162.0 -80.0 143.3 37.5 94.7 61.0 7 8 A L - 0 0 3 76,-2.7 7,-0.3 78,-0.3 3,-0.2 0.504 40.1-129.4-100.5 -10.1 35.2 92.8 58.6 8 9 A G B -E 85 0B 1 77,-1.7 77,-3.3 75,-0.4 -1,-0.3 -0.341 31.8 -46.5 97.9-175.4 31.9 94.0 60.1 9 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.2 0.810 110.4 -9.7 -70.9 -43.6 28.6 92.5 61.3 10 11 A Y S S+ 0 0 55 1,-0.3 30,-2.4 -3,-0.2 31,-0.3 0.702 112.6 16.3-133.6 -47.7 27.2 90.1 58.9 11 12 A D S > S- 0 0 20 29,-0.2 3,-2.1 28,-0.1 -1,-0.3 -0.796 79.6 -89.7-132.3 177.0 28.8 89.7 55.4 12 13 A E G > S+ 0 0 38 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.724 117.7 63.9 -60.0 -22.6 31.9 90.5 53.5 13 14 A R G 3 S+ 0 0 67 1,-0.2 271,-2.7 270,-0.1 270,-0.4 0.476 81.0 81.0 -82.0 0.3 30.5 93.9 52.4 14 15 A D G < + 0 0 1 -3,-2.1 -1,-0.2 -7,-0.3 -5,-0.2 0.472 69.1 103.2 -83.2 0.5 30.4 95.2 55.9 15 16 A I S < S- 0 0 1 -3,-1.0 268,-2.5 97,-0.1 269,-0.3 -0.515 83.0-108.7 -76.4 148.5 34.1 95.9 55.7 16 17 A T B > -F 282 0C 1 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.450 21.0-117.5 -76.4 157.0 34.8 99.6 55.2 17 18 A V H > S+ 0 0 13 264,-2.6 4,-2.3 262,-0.3 5,-0.2 0.884 118.6 55.3 -59.7 -35.9 36.1 100.8 51.8 18 19 A K H > S+ 0 0 23 261,-2.4 4,-1.5 263,-0.4 -1,-0.2 0.932 108.7 46.5 -60.8 -47.9 39.3 101.9 53.7 19 20 A G H > S+ 0 0 0 260,-0.3 4,-2.6 92,-0.2 -2,-0.2 0.893 111.2 51.6 -63.5 -41.5 39.7 98.4 55.0 20 21 A L H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.942 109.4 48.5 -62.1 -48.3 39.1 96.7 51.7 21 22 A E H X S+ 0 0 73 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.810 114.6 46.2 -64.3 -29.9 41.6 98.8 49.8 22 23 A I H >X S+ 0 0 26 -4,-1.5 3,-0.8 -5,-0.2 4,-0.5 0.914 111.8 50.1 -77.5 -43.8 44.3 98.2 52.4 23 24 A A H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.898 103.7 60.4 -60.0 -41.9 43.7 94.5 52.7 24 25 A K H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 109.0 44.0 -56.2 -31.0 43.9 94.1 48.9 25 26 A K H << S+ 0 0 141 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.440 86.5 111.4 -97.6 -0.6 47.4 95.5 49.0 26 27 A C << - 0 0 1 -3,-1.4 53,-0.2 -4,-0.5 3,-0.1 -0.453 62.3-141.6 -74.5 147.8 48.8 93.5 51.9 27 28 A D S S+ 0 0 87 51,-2.0 2,-0.4 1,-0.2 52,-0.2 0.861 87.3 22.5 -75.6 -38.1 51.4 90.8 51.2 28 29 A Y E -c 79 0A 106 50,-1.6 52,-2.4 24,-0.1 2,-0.5 -0.989 69.0-160.8-132.3 140.6 50.0 88.4 53.8 29 30 A V E +c 80 0A 7 24,-0.5 26,-2.4 -2,-0.4 2,-0.3 -0.976 10.7 176.6-128.5 121.3 46.6 88.2 55.3 30 31 A F E +cd 81 55A 4 50,-3.3 52,-2.7 -2,-0.5 2,-0.3 -0.721 6.5 177.0-112.1 166.5 45.6 86.4 58.5 31 32 A A E -cd 82 56A 0 24,-1.7 26,-3.2 50,-0.3 2,-0.4 -0.985 19.5-148.0-164.4 160.0 42.3 86.2 60.2 32 33 A E E - d 0 57A 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.985 7.8-177.1-134.2 144.6 40.4 84.7 63.1 33 34 A F + 0 0 53 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.196 63.6 89.4-134.1 40.4 36.7 83.7 63.2 34 35 A Y S S+ 0 0 15 23,-0.1 135,-0.4 135,-0.1 3,-0.1 0.563 75.6 63.7-111.1 -14.8 36.4 82.6 66.8 35 36 A T S S- 0 0 14 1,-0.2 2,-0.3 133,-0.1 -2,-0.1 0.712 118.7 -8.0 -83.4 -19.3 35.4 85.9 68.5 36 37 A S - 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.2 -0.970 68.6-107.3-163.1 173.7 32.2 86.2 66.5 37 38 A L - 0 0 33 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.961 11.5-159.0-118.2 125.3 30.0 84.8 63.7 38 39 A M > - 0 0 17 -2,-0.5 3,-0.9 1,-0.1 -28,-0.2 -0.866 16.0-175.9-100.2 97.3 29.5 86.4 60.4 39 40 A A T 3 + 0 0 39 -2,-1.0 -28,-0.1 -30,-0.4 -1,-0.1 0.588 69.8 56.3 -73.5 -13.1 26.3 84.6 59.4 40 41 A G T 3 S+ 0 0 19 -30,-2.4 2,-0.2 -3,-0.1 -1,-0.2 0.259 104.2 39.1-107.7 16.1 25.9 86.1 55.9 41 42 A T < - 0 0 22 -3,-0.9 2,-0.3 -31,-0.3 -3,-0.1 -0.805 63.3-131.1-146.3-174.3 29.2 85.2 54.2 42 43 A T > - 0 0 72 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.920 33.5-107.2-139.7 163.8 31.9 82.5 53.7 43 44 A L H > S+ 0 0 69 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.917 120.8 55.1 -59.0 -41.3 35.7 82.5 53.8 44 45 A G H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 105.4 49.8 -58.5 -45.0 35.6 82.1 50.0 45 46 A R H > S+ 0 0 132 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.876 113.0 47.4 -63.6 -37.0 33.5 85.2 49.5 46 47 A I H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 5,-0.3 0.932 111.9 50.2 -69.0 -44.6 35.9 87.2 51.7 47 48 A Q H X>S+ 0 0 54 -4,-2.9 5,-1.4 1,-0.2 4,-1.4 0.890 111.5 48.1 -60.5 -40.5 38.9 85.9 50.0 48 49 A R H <5S+ 0 0 174 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.844 108.8 54.8 -70.3 -32.5 37.5 86.7 46.6 49 50 A L H <5S+ 0 0 50 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.917 119.0 31.4 -67.3 -43.7 36.6 90.2 47.7 50 51 A I H <5S- 0 0 5 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.601 103.5-130.0 -90.2 -11.8 40.1 91.1 48.8 51 52 A G T <5 + 0 0 58 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.867 68.6 110.3 66.1 38.3 41.8 88.9 46.2 52 53 A K S - 0 0 35 -2,-0.3 4,-2.0 -26,-0.1 5,-0.2 -0.386 34.4-101.6 -86.5 170.6 42.7 79.4 66.0 59 60 A R H > S+ 0 0 105 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.900 125.9 49.2 -61.3 -39.7 42.4 81.0 69.4 60 61 A E H >>S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 5,-1.2 0.900 105.9 56.7 -67.3 -38.7 45.5 79.1 70.6 61 62 A D H >5S+ 0 0 53 3,-0.2 4,-0.7 2,-0.2 8,-0.2 0.922 117.4 35.8 -55.9 -43.6 47.4 80.3 67.5 62 63 A V H X5S+ 0 0 4 -4,-2.0 4,-1.4 3,-0.2 -2,-0.2 0.963 122.8 39.2 -75.4 -55.5 46.6 83.9 68.5 63 64 A E H <5S+ 0 0 107 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.778 131.0 27.1 -70.7 -27.1 46.8 83.8 72.2 64 65 A L H <5S+ 0 0 107 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.795 136.5 20.0-103.2 -36.7 49.8 81.5 72.5 65 66 A N H >XS+ 0 0 5 -4,-1.4 4,-2.4 1,-0.3 5,-1.5 0.915 83.8 50.6 -55.5 -43.3 50.7 85.4 67.6 67 68 A E H 345S+ 0 0 87 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.670 115.0 43.5 -71.3 -16.8 54.3 86.6 67.9 68 69 A N H <45S+ 0 0 97 -3,-1.2 -1,-0.2 -7,-0.2 -2,-0.2 0.728 123.8 32.9 -96.9 -26.9 55.6 83.4 66.3 69 70 A I H <5S+ 0 0 27 -4,-2.4 4,-0.3 -8,-0.2 -2,-0.2 0.880 132.1 18.7 -95.8 -45.0 53.1 83.1 63.5 70 71 A V T >X5S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 3,-0.7 0.901 115.2 56.8 -96.2 -50.8 52.2 86.7 62.5 71 72 A L H 3> S+ 0 0 45 -3,-0.7 3,-1.5 -4,-0.3 4,-1.5 0.852 108.4 60.7 -75.5 -36.8 56.2 88.2 58.6 74 75 A A H 3< S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.3 32,-0.2 0.687 95.7 65.5 -64.1 -17.5 54.9 91.7 59.7 75 76 A K T 3< S+ 0 0 102 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.736 117.2 22.2 -76.8 -23.7 58.6 92.5 60.2 76 77 A E T <4 S+ 0 0 162 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.395 127.4 31.6-123.2 -0.5 59.4 92.2 56.5 77 78 A N S < S- 0 0 51 -4,-1.5 2,-0.7 -76,-0.1 -51,-0.1 -0.908 86.1 -90.3-148.1 173.1 56.0 92.7 54.8 78 79 A D - 0 0 62 -2,-0.3 -51,-2.0 -53,-0.1 -50,-1.6 -0.838 51.2-172.0 -90.8 117.9 52.7 94.5 55.1 79 80 A V E -ac 2 28A 0 -78,-2.7 -76,-2.9 -2,-0.7 2,-0.4 -0.913 13.1-156.1-118.1 141.3 50.4 92.1 57.0 80 81 A A E -ac 3 29A 0 -52,-2.4 -50,-3.3 -2,-0.4 2,-0.5 -0.884 3.3-163.3-114.6 145.3 46.7 92.2 57.7 81 82 A F E -ac 4 30A 0 -78,-2.8 -76,-2.3 -2,-0.4 2,-0.3 -0.956 17.4-160.5-128.4 108.1 44.9 90.5 60.5 82 83 A L E +ac 5 31A 0 -52,-2.7 -50,-1.7 -2,-0.5 -76,-0.2 -0.651 12.6 175.2 -93.2 147.2 41.1 90.4 59.9 83 84 A T E -a 6 0A 0 -78,-1.7 -76,-2.7 -2,-0.3 -75,-0.4 -0.972 36.2 -97.7-145.5 156.6 38.4 89.9 62.5 84 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.367 92.4 -9.0 -69.8 160.7 34.6 89.8 62.5 85 86 A G B S-E 8 0B 1 -77,-3.3 -77,-1.7 -79,-0.1 -78,-0.3 -0.195 129.1 -16.5 53.3-139.2 33.0 93.1 63.6 86 87 A D > - 0 0 0 446,-2.5 3,-1.4 -80,-0.2 25,-0.1 -0.862 66.0-133.5 -97.5 133.2 35.4 95.7 65.0 87 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.724 100.7 42.8 -58.8 -24.7 38.8 94.1 66.0 88 89 A L T 3 S+ 0 0 8 5,-0.1 2,-0.6 444,-0.1 304,-0.3 0.149 89.2 98.7-112.0 19.4 39.0 95.8 69.4 89 90 A V S < S- 0 0 0 -3,-1.4 -3,-0.1 1,-0.2 26,-0.1 -0.931 103.5 -15.3-111.3 116.8 35.5 95.4 70.7 90 91 A A S S+ 0 0 39 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.877 117.4 96.0 59.7 37.3 34.8 92.6 73.1 91 92 A T S S- 0 0 24 -3,-0.2 -1,-0.3 441,-0.1 3,-0.2 -0.864 77.9-128.2-137.9 171.2 38.1 90.9 72.2 92 93 A T S > S+ 0 0 64 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 0.129 73.4 116.3-106.9 21.1 41.5 91.0 73.7 93 94 A H T >> + 0 0 1 -6,-0.4 3,-1.3 1,-0.3 4,-0.8 0.723 57.7 76.0 -66.4 -17.4 43.2 91.9 70.4 94 95 A A H >> S+ 0 0 17 1,-0.3 4,-1.0 -3,-0.2 3,-1.0 0.881 88.1 63.9 -59.5 -29.1 44.3 95.2 71.8 95 96 A E H <> S+ 0 0 74 -3,-1.9 4,-1.9 1,-0.3 -1,-0.3 0.803 92.6 61.7 -61.6 -30.3 46.9 93.1 73.6 96 97 A L H <> S+ 0 0 13 -3,-1.3 4,-2.3 -4,-0.4 -1,-0.3 0.787 97.3 57.2 -68.5 -27.7 48.3 92.1 70.2 97 98 A R H S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-0.4 0.935 110.2 48.1 -62.8 -47.3 53.6 94.2 68.0 101 102 A K H ><5S+ 0 0 102 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.910 108.8 52.8 -60.7 -44.4 55.1 97.3 69.4 102 103 A R H 3<5S+ 0 0 124 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.769 108.1 53.4 -62.4 -25.0 57.5 95.4 71.7 103 104 A A T 3<5S- 0 0 41 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.405 121.3-110.4 -89.7 1.0 58.6 93.5 68.6 104 105 A G T < 5S+ 0 0 59 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.708 73.9 137.6 80.9 18.0 59.3 96.8 66.8 105 106 A V < - 0 0 9 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.2 -0.872 50.4-134.6-103.9 125.8 56.4 96.3 64.4 106 107 A E - 0 0 126 -2,-0.5 -104,-2.9 -32,-0.2 2,-0.3 -0.533 26.0-164.5 -74.8 139.8 54.2 99.3 63.6 107 108 A S E -b 2 0A 15 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.948 11.3-168.3-130.6 152.3 50.4 98.6 63.7 108 109 A Y E -b 3 0A 55 -106,-2.4 -104,-3.1 -2,-0.3 2,-0.5 -0.960 13.2-139.8-134.4 152.0 47.3 100.4 62.5 109 110 A V E -b 4 0A 6 -2,-0.3 2,-0.6 368,-0.2 -104,-0.2 -0.956 9.3-169.5-120.8 129.5 43.6 99.8 63.1 110 111 A I E -b 5 0A 3 -106,-3.1 -104,-2.3 -2,-0.5 -94,-0.1 -0.972 22.0-143.8-116.4 115.5 40.8 100.0 60.6 111 112 A H - 0 0 7 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.203 16.7-173.6 -74.5 165.8 37.4 99.9 62.3 112 113 A A - 0 0 0 266,-0.1 268,-0.2 -97,-0.1 -97,-0.1 -0.951 44.8 -63.0-151.9 161.9 34.2 98.2 61.0 113 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.276 57.1-157.9 -55.5 135.8 30.6 98.2 62.2 114 115 A S >> - 0 0 0 264,-0.3 4,-2.5 -29,-0.2 3,-0.9 -0.873 27.7-129.2-118.4 148.1 30.3 96.6 65.7 115 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.818 106.4 69.9 -63.8 -27.5 27.4 95.0 67.5 116 117 A Y H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.846 114.1 24.9 -59.2 -35.9 28.3 97.3 70.4 117 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-1.9 1,-0.1 -1,-0.2 0.716 109.8 73.0-100.1 -25.1 27.0 100.3 68.5 118 119 A A H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.706 76.6 81.3 -63.1 -18.7 24.6 98.4 66.1 119 120 A V G ><> + 0 0 0 -4,-1.1 3,-2.2 1,-0.3 5,-0.6 0.619 68.1 85.5 -64.0 -7.7 22.3 97.9 69.1 120 121 A G G X 5S+ 0 0 1 -3,-1.9 3,-1.8 1,-0.3 -1,-0.3 0.779 74.1 72.1 -62.6 -22.0 21.1 101.5 68.3 121 122 A I G < 5S+ 0 0 5 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.603 83.3 69.4 -69.5 -8.7 18.8 99.8 65.8 122 123 A T G < 5S- 0 0 0 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.602 112.2-117.7 -82.9 -11.3 16.8 98.6 68.8 123 124 A G T < 5S+ 0 0 4 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.419 73.1 131.4 90.2 -3.4 15.7 102.1 69.5 124 125 A L < - 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0 0 41 54,-0.0 2,-0.3 -4,-0.0 -1,-0.2 -0.955 65.6-113.3-171.3-176.0 28.1 115.2 63.6 303 38 B L - 0 0 10 -2,-0.3 2,-0.7 -3,-0.1 3,-0.1 -0.852 18.4-123.2-130.6 166.9 30.5 116.0 60.8 304 39 B M > - 0 0 12 -2,-0.3 3,-1.6 1,-0.1 -28,-0.1 -0.823 32.1-175.7-111.6 85.4 33.0 114.0 58.8 305 40 B A T 3 S+ 0 0 33 -2,-0.7 -1,-0.1 -30,-0.3 -28,-0.1 0.714 73.3 57.1 -56.6 -29.6 36.1 116.0 59.6 306 41 B G T 3 S+ 0 0 20 -30,-2.0 -28,-0.3 -3,-0.1 -1,-0.3 0.276 113.0 27.6 -90.5 11.9 38.6 114.2 57.3 307 42 B T S < S- 0 0 15 -3,-1.6 2,-0.3 -31,-0.3 -3,-0.1 -0.798 71.5-119.9-150.4-169.1 36.6 114.8 54.1 308 43 B T > - 0 0 72 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.908 32.0-106.7-138.0 166.1 34.2 117.2 52.3 309 44 B L H > S+ 0 0 67 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.912 120.4 56.1 -59.7 -41.3 30.7 117.0 50.8 310 45 B G H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.877 106.6 47.8 -59.0 -40.6 32.4 117.1 47.4 311 46 B R H > S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 112.5 47.7 -70.3 -38.4 34.6 114.1 48.1 312 47 B I H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.941 113.7 49.0 -66.5 -44.5 31.7 112.0 49.4 313 48 B Q H X>S+ 0 0 69 -4,-2.8 4,-3.0 1,-0.2 5,-0.6 0.888 110.7 49.8 -61.4 -40.8 29.6 113.0 46.4 314 49 B R H <5S+ 0 0 197 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.855 109.0 52.5 -67.7 -34.8 32.5 112.1 44.0 315 50 B L H <5S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.893 115.7 39.8 -67.5 -40.6 33.0 108.7 45.6 316 51 B I H <5S- 0 0 5 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.905 101.3-138.3 -75.6 -42.6 29.3 107.9 45.2 317 52 B G T <5 + 0 0 58 -4,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.484 67.1 83.6 99.5 1.4 29.0 109.4 41.8 318 53 B K S - 0 0 53 -2,-0.4 4,-2.0 -26,-0.1 5,-0.2 -0.293 33.7-100.3 -80.6 171.3 19.4 120.7 57.7 325 60 B R H > S+ 0 0 102 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.921 127.3 48.5 -59.2 -42.8 18.3 119.8 61.2 326 61 B E H >>S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-1.2 0.916 105.9 56.9 -63.7 -43.5 15.0 121.5 60.5 327 62 B D H >5S+ 0 0 38 3,-0.2 4,-0.6 2,-0.2 7,-0.2 0.909 118.8 32.3 -53.8 -44.5 14.6 119.7 57.2 328 63 B V H X5S+ 0 0 0 -4,-2.0 4,-1.6 3,-0.2 5,-0.2 0.972 121.8 43.3 -78.8 -59.1 14.9 116.4 59.0 329 64 B E H <5S+ 0 0 62 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.824 132.0 22.2 -59.9 -33.8 13.3 116.9 62.4 330 65 B L H <5S+ 0 0 107 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.2 0.788 136.7 24.1-104.5 -33.5 10.4 118.9 61.1 331 66 B N H >XS+ 0 0 0 -4,-1.6 4,-2.0 1,-0.3 5,-1.7 0.902 82.3 53.2 -52.5 -42.6 11.5 114.5 56.9 333 68 B E H 345S+ 0 0 84 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.630 113.8 41.6 -70.0 -14.6 8.1 113.2 55.8 334 69 B N H <45S+ 0 0 107 -3,-1.7 -1,-0.2 -7,-0.2 -2,-0.2 0.634 124.4 33.1-105.2 -19.6 7.7 115.9 53.2 335 70 B I H <5S+ 0 0 27 -4,-2.0 4,-0.3 -8,-0.2 -3,-0.2 0.846 131.7 18.0-102.5 -47.3 11.2 116.0 51.8 336 71 B V T >X5S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.3 3,-0.5 0.904 117.1 55.1 -94.7 -50.5 12.5 112.4 51.9 337 72 B L H 3> S+ 0 0 68 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.915 110.7 42.7 -57.4 -40.4 7.5 111.1 49.3 339 74 B L H X> S+ 0 0 52 -3,-0.5 4,-0.9 -4,-0.3 3,-0.8 0.834 107.8 59.2 -72.2 -35.9 10.4 110.2 47.0 340 75 B A H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 32,-0.2 0.713 93.8 70.2 -65.8 -18.3 11.1 106.9 48.9 341 76 B K H 3< S+ 0 0 75 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.867 116.4 17.9 -67.0 -36.1 7.5 105.9 48.1 342 77 B E H << S+ 0 0 151 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.2 0.287 128.8 37.9-119.1 8.6 8.3 105.4 44.3 343 78 B N S < S- 0 0 45 -4,-0.9 -76,-1.3 -5,-0.1 2,-0.6 -0.901 85.1 -94.1-148.5 174.4 12.1 105.1 44.4 344 79 B D E -n 267 0H 58 -2,-0.3 -51,-2.0 -78,-0.2 -50,-1.4 -0.876 47.9-169.6 -95.4 124.2 15.1 103.8 46.3 345 80 B V E -np 268 294H 0 -78,-2.8 -76,-3.2 -2,-0.6 2,-0.4 -0.953 13.3-153.4-123.2 138.2 16.4 106.5 48.5 346 81 B A E -np 269 295H 0 -52,-2.5 -50,-3.0 -2,-0.4 2,-0.5 -0.872 3.4-166.9-108.6 140.5 19.6 106.8 50.6 347 82 B F E -np 270 296H 1 -78,-2.9 -76,-2.6 -2,-0.4 2,-0.3 -0.939 15.4-157.3-127.7 104.2 19.9 108.9 53.7 348 83 B L E +np 271 297H 0 -52,-3.1 -50,-2.0 -2,-0.5 -76,-0.2 -0.630 14.2 176.5 -86.6 140.6 23.6 109.3 54.7 349 84 B T E -n 272 0H 1 -78,-2.2 -76,-2.9 -2,-0.3 -75,-0.4 -0.990 35.5 -99.6-141.6 148.1 24.6 110.1 58.3 350 85 B P S S- 0 0 10 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.324 89.1 -9.3 -63.7 151.3 28.0 110.4 60.0 351 86 B G B S-R 274 0I 13 -77,-2.6 -77,-1.9 -79,-0.1 29,-0.2 -0.348 121.4 -15.0 67.8-138.7 29.0 107.4 62.0 352 87 B D S >> S- 0 0 3 -80,-0.2 3,-1.7 -79,-0.1 4,-0.6 -0.901 77.9-109.1-105.4 126.7 26.6 104.5 62.6 353 88 B P T 34 S+ 0 0 0 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.278 99.4 17.5 -58.8 141.7 22.9 105.2 61.9 354 89 B L T 34 S+ 0 0 5 2,-0.1 -228,-0.3 -233,-0.1 6,-0.1 0.483 91.8 102.7 75.1 5.7 20.7 105.4 65.0 355 90 B V T <4 + 0 0 22 -3,-1.7 -229,-0.5 -230,-0.1 2,-0.3 0.877 69.4 76.4 -74.0 -42.3 23.6 105.9 67.4 356 91 B A S >X S- 0 0 28 -4,-0.6 3,-1.4 1,-0.1 4,-0.5 -0.547 96.4-130.3 -60.0 124.3 22.5 109.5 67.4 357 92 B T T 34 S+ 0 0 61 -2,-0.3 4,-0.4 1,-0.2 3,-0.3 0.762 99.8 54.3 -54.2 -32.2 19.4 109.4 69.6 358 93 B T T 34 S+ 0 0 47 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.655 90.0 77.1 -80.1 -15.3 17.0 111.2 67.2 359 94 B H T X4 S+ 0 0 3 -3,-1.4 3,-1.8 1,-0.2 4,-0.5 0.910 83.1 63.9 -58.6 -48.5 17.6 108.9 64.2 360 95 B A T >X S+ 0 0 10 -4,-0.5 3,-2.0 -3,-0.3 4,-0.6 0.844 92.9 59.8 -46.9 -46.8 15.4 106.1 65.4 361 96 B E H >> S+ 0 0 43 -4,-0.4 4,-1.7 -3,-0.3 3,-0.7 0.756 92.2 70.0 -59.3 -23.2 12.1 107.9 65.3 362 97 B L H <> S+ 0 0 1 -3,-1.8 4,-1.9 -4,-0.5 -1,-0.3 0.788 91.3 59.4 -65.9 -25.4 12.6 108.5 61.6 363 98 B R H <> S+ 0 0 29 -3,-2.0 4,-1.8 -4,-0.5 -1,-0.3 0.811 102.9 52.0 -71.9 -28.6 12.0 104.8 61.1 364 99 B I H S+ 0 0 0 -4,-1.9 5,-3.0 1,-0.2 -1,-0.2 0.918 109.4 50.5 -60.9 -43.1 8.8 105.8 57.3 367 102 B K H ><5S+ 0 0 94 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.914 107.5 53.2 -60.1 -45.1 6.4 103.2 58.7 368 103 B R H 3<5S+ 0 0 169 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.5 49.6 -59.1 -34.3 3.6 105.8 58.9 369 104 B A T 3<5S- 0 0 36 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.393 117.5-112.6 -87.1 2.7 4.3 106.6 55.3 370 105 B G T < 5S+ 0 0 37 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.813 71.5 140.9 69.9 29.7 4.2 103.0 54.2 371 106 B V < - 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