==== 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 28-FEB-07 2EGB . 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 . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.0 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 . 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 . 37 7.0 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 . 134 25.2 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 6 0 1 0 3 2 3 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 4 3 1 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 0 134 0, 0.0 106,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.8 55.6 97.7 54.6 2 2 A V E -a 79 0A 11 76,-1.7 78,-3.1 104,-0.1 2,-0.5 -0.979 360.0-130.0-167.5 159.2 52.5 98.0 56.8 3 3 A L E -ab 80 108A 0 104,-2.2 106,-2.2 -2,-0.3 2,-0.4 -0.986 19.8-163.7-123.1 125.5 49.7 96.1 58.5 4 4 A Y E -ab 81 109A 34 76,-2.8 78,-2.8 -2,-0.5 2,-0.7 -0.913 10.5-154.7-109.9 131.9 46.1 97.1 58.1 5 5 A F E -ab 82 110A 0 104,-2.9 106,-3.0 -2,-0.4 2,-0.5 -0.937 25.9-175.2-101.6 114.9 43.3 95.8 60.4 6 6 A I E -ab 83 111A 0 76,-2.6 78,-1.6 -2,-0.7 2,-0.2 -0.955 18.1-141.8-121.9 124.3 40.2 96.1 58.3 7 7 A G E -a 84 0A 0 104,-2.2 10,-0.5 -2,-0.5 80,-0.2 -0.537 3.9-161.2 -80.3 145.4 36.6 95.4 59.4 8 8 A L - 0 0 3 76,-2.7 7,-0.4 78,-0.3 3,-0.2 0.475 40.4-130.3-102.1 -7.7 34.3 93.7 56.9 9 9 A G B -E 86 0B 1 77,-1.7 77,-3.4 75,-0.4 -1,-0.3 -0.302 32.8 -46.2 93.9-175.0 31.1 94.7 58.7 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.2 0.806 110.7 -7.5 -70.7 -43.3 27.9 93.1 59.9 11 11 A Y S S+ 0 0 57 1,-0.3 30,-2.2 -3,-0.2 31,-0.3 0.730 112.0 14.4-130.5 -50.7 26.4 90.8 57.3 12 12 A D S > S- 0 0 18 29,-0.2 3,-2.0 28,-0.1 -1,-0.3 -0.757 79.5 -88.8-130.0 178.0 27.9 90.6 53.8 13 13 A E G > S+ 0 0 37 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.704 117.9 64.1 -60.6 -22.0 30.9 91.6 51.8 14 14 A R G 3 S+ 0 0 64 1,-0.2 271,-2.8 270,-0.1 272,-0.3 0.433 80.8 81.0 -84.0 3.9 29.5 94.9 50.9 15 15 A D G < + 0 0 2 -3,-2.0 -1,-0.2 -7,-0.4 -5,-0.2 0.441 69.0 103.0 -86.4 0.9 29.5 96.0 54.5 16 16 A I S < S- 0 0 0 -3,-0.9 268,-2.5 97,-0.1 269,-0.3 -0.523 83.3-107.9 -76.6 149.3 33.2 96.9 54.2 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.460 20.8-116.7 -78.4 156.3 33.8 100.6 53.9 18 18 A V H > S+ 0 0 8 264,-2.5 4,-2.8 262,-0.4 5,-0.2 0.898 119.3 54.8 -56.3 -38.6 34.9 102.0 50.5 19 19 A K H > S+ 0 0 15 261,-2.5 4,-2.2 263,-0.4 -1,-0.2 0.938 108.2 47.0 -59.6 -49.1 38.1 103.0 52.3 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -1,-0.2 0.872 113.3 47.9 -62.8 -39.3 38.7 99.4 53.5 21 21 A L H X S+ 0 0 13 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.946 110.2 52.0 -66.4 -48.1 38.0 97.9 50.1 22 22 A E H X S+ 0 0 60 -4,-2.8 4,-0.6 -5,-0.2 -2,-0.2 0.891 116.2 40.8 -54.0 -44.8 40.3 100.4 48.3 23 23 A I H >< S+ 0 0 28 -4,-2.2 3,-1.0 -5,-0.2 4,-0.5 0.925 113.0 52.2 -72.9 -45.1 43.2 99.6 50.7 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.886 103.5 60.1 -58.3 -39.2 42.6 95.9 50.7 25 25 A K H 3< S+ 0 0 88 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.762 108.3 44.2 -60.1 -27.9 42.6 95.8 46.9 26 26 A K T << S+ 0 0 161 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.401 88.3 109.3-100.5 1.4 46.2 97.1 46.9 27 27 A C < - 0 0 2 -3,-1.3 53,-0.2 -4,-0.5 3,-0.1 -0.444 63.8-140.2 -76.9 152.8 47.7 95.0 49.6 28 28 A D S S+ 0 0 81 51,-2.2 2,-0.4 1,-0.2 52,-0.2 0.854 87.2 22.3 -79.8 -37.5 50.2 92.3 48.7 29 29 A Y E -c 80 0A 77 50,-1.5 52,-2.2 24,-0.1 2,-0.4 -0.992 67.7-162.1-133.5 139.5 48.9 89.7 51.2 30 30 A V E +cd 81 55A 0 24,-0.6 26,-2.4 -2,-0.4 2,-0.3 -0.984 10.7 176.4-127.6 123.7 45.5 89.4 52.8 31 31 A F E +cd 82 56A 7 50,-3.2 52,-2.8 -2,-0.4 2,-0.3 -0.736 5.7 178.6-115.4 168.5 44.7 87.4 55.9 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.2 50,-0.3 2,-0.4 -0.986 20.1-146.6-165.7 159.9 41.4 87.1 57.8 33 33 A E - 0 0 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.987 8.3-178.0-133.3 142.0 39.7 85.4 60.8 34 34 A F + 0 0 58 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.117 63.4 88.2-131.6 36.7 36.0 84.4 60.9 35 35 A Y S S+ 0 0 14 23,-0.2 135,-0.4 1,-0.1 3,-0.1 0.599 74.9 65.1-108.6 -16.0 35.8 83.1 64.5 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.716 118.6 -8.0 -80.1 -21.5 35.0 86.3 66.4 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.947 71.0-105.2-160.5 177.4 31.6 86.7 64.7 38 38 A L - 0 0 34 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.969 11.5-161.5-122.3 125.0 29.4 85.4 61.9 39 39 A M > - 0 0 17 -2,-0.5 3,-0.9 1,-0.1 -28,-0.2 -0.847 15.0-178.3-101.7 94.9 28.7 87.1 58.6 40 40 A A T 3 + 0 0 42 -2,-1.0 -1,-0.1 -30,-0.3 -28,-0.1 0.569 69.6 58.9 -73.4 -10.6 25.6 85.2 57.5 41 41 A G T 3 S+ 0 0 17 -30,-2.2 2,-0.2 -3,-0.1 -1,-0.2 0.250 104.4 35.3-106.6 15.8 25.1 87.0 54.2 42 42 A T < - 0 0 18 -3,-0.9 2,-0.3 -31,-0.3 3,-0.1 -0.775 62.4-133.6-147.1-169.7 28.3 86.2 52.3 43 43 A T > - 0 0 75 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.955 35.5-104.6-148.2 162.2 31.0 83.5 51.7 44 44 A L H > S+ 0 0 68 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.913 120.7 57.5 -56.5 -40.6 34.8 83.6 51.6 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 105.7 46.6 -56.2 -47.7 34.5 83.3 47.8 46 46 A R H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.860 113.1 49.6 -65.6 -36.0 32.4 86.5 47.5 47 47 A I H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.929 111.4 49.2 -68.6 -44.1 34.8 88.4 49.7 48 48 A Q H X>S+ 0 0 56 -4,-2.9 4,-1.7 1,-0.2 5,-0.9 0.919 110.6 51.4 -60.1 -42.6 37.8 87.2 47.7 49 49 A K H <5S+ 0 0 181 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.903 109.4 50.5 -61.6 -42.0 36.0 88.2 44.5 50 50 A L H <5S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.929 118.7 34.8 -63.6 -48.0 35.3 91.7 45.8 51 51 A I H <5S- 0 0 4 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.626 101.0-133.1 -84.0 -12.5 38.8 92.5 47.0 52 52 A G T <5 + 0 0 60 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.750 68.8 103.7 68.4 25.5 40.4 90.6 44.1 53 53 A K S - 0 0 38 -2,-0.4 4,-2.3 -26,-0.1 5,-0.2 -0.405 35.1 -99.6 -87.4 169.3 42.1 80.0 63.2 60 60 A R H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.890 126.9 49.4 -56.6 -39.4 41.9 81.4 66.7 61 61 A E H >>S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 5,-1.0 0.921 106.3 55.0 -66.6 -43.3 45.1 79.5 67.5 62 62 A D H >5S+ 0 0 51 3,-0.2 4,-1.1 2,-0.2 7,-0.2 0.924 118.0 36.8 -54.0 -45.7 46.9 80.8 64.5 63 63 A V H X5S+ 0 0 2 -4,-2.3 4,-1.7 3,-0.2 5,-0.2 0.988 120.8 40.0 -71.5 -64.4 46.1 84.4 65.6 64 64 A E H <5S+ 0 0 72 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.846 131.7 26.6 -58.1 -37.0 46.4 84.3 69.4 65 65 A L H <5S+ 0 0 106 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.802 136.0 22.0 -98.4 -31.6 49.5 82.0 69.4 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.3 1,-0.3 5,-1.5 0.921 85.5 50.8 -56.1 -43.1 50.1 86.2 64.7 68 68 A E H 345S+ 0 0 80 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.600 114.8 43.4 -70.6 -11.7 53.7 87.3 64.9 69 69 A N H <45S+ 0 0 103 -3,-1.4 -1,-0.2 -7,-0.2 -2,-0.2 0.639 123.6 32.2-106.1 -19.8 55.0 84.2 63.1 70 70 A I H <5S+ 0 0 52 -4,-2.0 4,-0.2 -8,-0.2 -3,-0.2 0.817 132.1 17.8-104.2 -42.8 52.3 84.1 60.3 71 71 A V T >X5S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.4 3,-1.0 0.906 116.2 55.1 -98.1 -55.9 51.4 87.7 59.6 72 72 A L H 3>4 S+ 0 0 57 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.912 108.8 41.9 -55.8 -40.5 56.9 88.6 59.1 74 74 A L H X> S+ 0 0 50 -3,-1.0 3,-1.5 -4,-0.2 4,-0.9 0.846 105.1 63.6 -73.5 -35.5 55.3 89.5 55.8 75 75 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 32,-0.2 0.566 90.4 70.9 -66.8 -7.5 54.2 92.9 56.9 76 76 A K T << S+ 0 0 112 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.748 118.1 14.5 -81.3 -24.0 57.9 93.8 57.3 77 77 A E T <4 S+ 0 0 161 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.223 128.6 44.4-133.3 11.9 58.5 93.9 53.6 78 78 A N S < S- 0 0 38 -4,-0.9 -76,-1.7 -76,-0.1 2,-0.7 -0.932 84.4 -99.4-148.7 169.0 55.0 94.0 52.2 79 79 A D E -a 2 0A 54 -2,-0.3 -51,-2.2 -78,-0.3 -50,-1.5 -0.873 48.3-173.8 -95.6 117.2 51.6 95.7 52.6 80 80 A V E -ac 3 29A 0 -78,-3.1 -76,-2.8 -2,-0.7 2,-0.4 -0.904 14.0-159.8-119.1 144.4 49.5 93.3 54.6 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.2 -2,-0.4 2,-0.5 -0.927 3.9-161.1-121.1 145.4 45.8 93.3 55.5 82 82 A F E -ac 5 31A 0 -78,-2.8 -76,-2.6 -2,-0.4 2,-0.3 -0.983 17.3-158.4-125.9 113.3 44.0 91.4 58.3 83 83 A L E +ac 6 32A 0 -52,-2.8 -50,-1.9 -2,-0.5 -76,-0.2 -0.688 14.3 173.1 -97.0 147.8 40.3 91.2 57.8 84 84 A T E -a 7 0A 0 -78,-1.6 -76,-2.7 -2,-0.3 -75,-0.4 -0.974 37.4 -96.1-146.7 156.3 37.7 90.5 60.5 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.316 91.8 -10.0 -68.8 163.2 33.9 90.6 60.7 86 86 A G B S-E 9 0B 1 -77,-3.4 -77,-1.7 -79,-0.1 -78,-0.3 -0.151 129.7 -14.5 49.0-138.1 32.2 93.8 62.0 87 87 A D > - 0 0 0 446,-2.6 3,-1.7 -80,-0.2 25,-0.1 -0.862 66.7-134.5 -96.9 129.0 34.8 96.2 63.5 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.701 100.8 42.5 -55.3 -24.6 38.2 94.6 64.2 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 304,-0.3 0.225 89.6 100.3-110.9 14.3 38.6 96.0 67.7 90 90 A V S < S- 0 0 0 -3,-1.7 -3,-0.1 1,-0.2 3,-0.1 -0.894 102.5 -16.8-105.8 121.1 35.0 95.6 69.1 91 91 A A S S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.867 117.3 97.0 57.2 37.0 34.4 92.7 71.4 92 92 A T S S- 0 0 22 -3,-0.3 -1,-0.3 441,-0.1 3,-0.2 -0.854 79.0-126.9-140.1 172.9 37.6 91.0 70.3 93 93 A T S > S+ 0 0 86 -2,-0.3 3,-1.1 1,-0.1 4,-0.3 0.092 75.5 114.0-110.9 20.2 41.1 91.0 71.8 94 94 A H T >> + 0 0 0 -6,-0.4 3,-1.5 1,-0.2 4,-0.5 0.712 55.5 77.0 -65.4 -22.7 42.6 92.1 68.5 95 95 A A H >> S+ 0 0 17 1,-0.3 3,-1.7 -3,-0.2 4,-0.6 0.878 88.1 61.4 -55.9 -35.9 43.8 95.5 69.9 96 96 A E H X> S+ 0 0 57 -3,-1.1 4,-1.3 1,-0.3 3,-0.9 0.791 90.7 68.5 -60.6 -28.0 46.6 93.6 71.6 97 97 A L H <> S+ 0 0 3 -3,-1.5 4,-1.8 -4,-0.3 -1,-0.3 0.740 89.4 63.0 -65.2 -22.0 47.8 92.5 68.1 98 98 A R H S+ 0 0 0 -4,-1.8 5,-2.9 2,-0.2 3,-0.5 0.944 108.6 49.8 -62.2 -48.1 53.0 94.7 65.5 102 102 A K H ><5S+ 0 0 97 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.951 110.4 49.0 -55.6 -52.9 54.8 97.6 67.2 103 103 A R H 3<5S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.737 107.9 55.5 -61.4 -21.9 57.4 95.3 68.9 104 104 A A T 3<5S- 0 0 29 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.403 120.2-112.1 -89.5 2.2 57.9 93.7 65.5 105 105 A G T < 5S+ 0 0 62 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.739 74.7 135.1 74.3 23.5 58.8 97.1 64.0 106 106 A V < - 0 0 3 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.919 51.3-136.9-111.6 123.4 55.6 97.1 61.9 107 107 A E - 0 0 130 -2,-0.5 -104,-2.2 -106,-0.3 2,-0.3 -0.508 24.9-160.7 -73.2 141.1 53.4 100.1 61.6 108 108 A S E -b 3 0A 13 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.938 10.1-166.6-128.0 151.4 49.7 99.3 61.8 109 109 A Y E -b 4 0A 64 -106,-2.2 -104,-2.9 -2,-0.3 2,-0.5 -0.953 13.3-137.5-133.1 151.9 46.5 101.1 60.8 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.945 10.2-169.4-118.8 129.5 42.9 100.5 61.6 111 111 A I E -b 6 0A 3 -106,-3.0 -104,-2.2 -2,-0.5 -94,-0.1 -0.965 22.0-144.2-115.4 114.6 39.9 100.8 59.1 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.213 17.4-175.3 -75.6 165.6 36.6 100.6 60.9 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 -97,-0.1 -0.944 44.8 -60.4-151.7 165.6 33.4 99.0 59.7 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.257 57.2-159.0 -54.1 135.8 29.8 98.7 60.9 115 115 A S >> - 0 0 0 264,-0.3 4,-2.6 -29,-0.2 3,-1.1 -0.912 27.8-130.3-121.3 147.0 29.6 97.1 64.3 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.3 -1,-0.1 0.820 105.9 71.1 -62.9 -27.4 26.8 95.3 66.1 117 117 A Y H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.845 113.8 23.8 -58.4 -34.9 27.7 97.5 69.1 118 118 A S H X4 S+ 0 0 0 -3,-1.1 3,-2.1 1,-0.1 -1,-0.2 0.720 109.8 73.8-101.7 -26.6 26.3 100.6 67.3 119 119 A A H >< S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.3 -2,-0.2 0.724 76.4 81.1 -59.6 -21.5 23.9 98.8 65.0 120 120 A V G ><> + 0 0 0 -4,-1.2 3,-2.1 1,-0.3 5,-0.5 0.621 68.4 85.4 -62.3 -8.4 21.6 98.2 67.9 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.795 74.4 72.0 -61.8 -23.5 20.5 101.7 67.3 122 122 A I G < 5S+ 0 0 5 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.640 82.1 69.9 -67.9 -11.4 18.1 100.1 64.8 123 123 A T G < 5S- 0 0 0 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.576 112.3-117.8 -79.9 -9.6 16.1 98.7 67.8 124 124 A G T < 5S+ 0 0 3 -3,-1.9 2,-0.3 1,-0.3 125,-0.2 0.363 73.1 131.7 89.4 -7.5 15.0 102.2 68.5 125 125 A L < - 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0 0 57 -2,-0.4 4,-2.0 -26,-0.1 5,-0.2 -0.308 35.6 -98.4 -84.6 172.7 18.5 121.4 58.3 326 60 B R H > S+ 0 0 115 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.892 127.0 48.6 -59.9 -39.7 17.4 120.2 61.7 327 61 B E H >>S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 5,-1.2 0.908 105.3 57.2 -68.3 -40.1 14.1 122.0 61.2 328 62 B D H >5S+ 0 0 45 3,-0.2 4,-0.8 2,-0.2 7,-0.2 0.927 118.5 33.8 -54.2 -44.9 13.6 120.5 57.7 329 63 B V H X5S+ 0 0 2 -4,-2.0 4,-1.5 3,-0.2 -2,-0.2 0.968 122.3 41.4 -76.4 -58.4 13.9 117.1 59.3 330 64 B E H <5S+ 0 0 81 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.898 131.6 25.3 -60.4 -40.9 12.3 117.4 62.7 331 65 B L H <5S+ 0 0 99 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.873 136.5 21.6 -92.2 -40.2 9.4 119.6 61.5 332 66 B N H >XS+ 0 0 0 -4,-1.5 4,-2.0 1,-0.3 5,-1.6 0.909 83.8 50.8 -51.3 -44.6 10.5 115.2 57.1 334 68 B E H 345S+ 0 0 83 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.618 114.3 44.1 -70.3 -13.0 7.1 114.0 55.9 335 69 B N H <45S+ 0 0 108 -3,-1.7 -1,-0.2 -7,-0.2 -2,-0.2 0.633 123.5 31.7-103.6 -19.5 6.7 117.0 53.6 336 70 B I H <5S+ 0 0 49 -4,-1.9 4,-0.4 -3,-0.3 -3,-0.2 0.849 131.5 18.3-103.8 -49.4 10.2 117.0 52.1 337 71 B V T X5S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 3,-0.3 0.911 117.3 54.6 -92.0 -51.7 11.5 113.5 51.9 338 72 B L H >> S+ 0 0 66 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.956 111.2 39.2 -55.7 -49.0 6.5 112.5 49.3 340 74 B L H >> S+ 0 0 47 -4,-0.4 4,-0.8 -3,-0.3 3,-0.7 0.848 109.4 60.8 -68.1 -34.5 9.2 111.6 46.9 341 75 B A H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -73,-0.2 0.714 93.0 69.9 -65.8 -19.1 10.0 108.3 48.6 342 76 B K H << S+ 0 0 87 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.897 117.3 16.6 -65.6 -41.5 6.4 107.3 47.9 343 77 B E H << S+ 0 0 159 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.2 0.216 128.8 41.4-117.4 13.7 7.0 107.0 44.1 344 78 B N S < S- 0 0 45 -4,-0.8 -76,-1.2 -5,-0.1 2,-0.6 -0.929 85.6 -95.9-150.1 171.0 10.8 106.7 44.0 345 79 B D E -n 268 0H 63 -2,-0.3 -51,-1.9 -53,-0.2 -50,-1.4 -0.862 49.0-172.4 -93.0 122.9 13.8 105.2 45.7 346 80 B V E -np 269 295H 0 -78,-2.7 -76,-3.1 -2,-0.6 2,-0.4 -0.943 13.9-154.0-123.7 143.0 15.1 107.8 48.1 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.1 -2,-0.4 2,-0.5 -0.894 2.9-164.3-115.2 143.2 18.3 108.0 50.2 348 82 B F E -np 271 297H 0 -78,-2.8 -76,-2.4 -2,-0.4 2,-0.3 -0.955 16.6-157.0-126.9 106.6 18.8 109.9 53.5 349 83 B L E +np 272 298H 0 -52,-2.8 -50,-1.9 -2,-0.5 -76,-0.2 -0.672 13.9 177.2 -89.1 140.3 22.5 110.2 54.3 350 84 B T E -n 273 0H 0 -78,-1.9 -76,-2.7 -2,-0.3 -75,-0.4 -0.993 35.3-102.9-140.5 145.5 23.7 110.9 57.9 351 85 B P S S- 0 0 10 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.293 90.1 -3.9 -62.2 154.1 27.2 111.1 59.3 352 86 B G B S-R 275 0I 14 -77,-3.0 -77,-1.9 -79,-0.1 29,-0.2 -0.344 122.4 -16.6 67.5-139.1 28.2 108.0 61.2 353 87 B D S >> S- 0 0 4 -80,-0.2 3,-1.6 -79,-0.1 4,-0.5 -0.894 76.2-110.2-106.1 129.6 25.8 105.1 61.7 354 88 B P T 34 S+ 0 0 0 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.262 99.0 19.7 -58.8 147.1 22.1 105.8 61.1 355 89 B L T 34 S+ 0 0 5 2,-0.1 -228,-0.3 1,-0.1 6,-0.2 0.454 91.1 102.4 72.7 4.0 19.9 105.8 64.2 356 90 B V T <4 + 0 0 25 -3,-1.6 -229,-0.5 -230,-0.1 -228,-0.3 0.905 66.8 78.8 -77.9 -42.9 22.7 106.3 66.7 357 91 B A S >X S- 0 0 28 -4,-0.5 3,-1.5 1,-0.1 4,-0.5 -0.473 94.8-127.4 -62.4 127.3 21.6 109.9 66.9 358 92 B T T 34 S+ 0 0 62 1,-0.2 4,-0.4 -2,-0.2 3,-0.3 0.765 101.9 53.1 -50.4 -35.7 18.6 109.7 69.2 359 93 B T T 3> S+ 0 0 52 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.688 91.4 75.8 -78.5 -17.5 16.1 111.6 67.0 360 94 B H H X> S+ 0 0 1 -3,-1.5 3,-1.4 1,-0.2 4,-0.5 0.867 82.7 63.8 -61.8 -42.5 16.7 109.4 63.9 361 95 B A H >X S+ 0 0 8 -4,-0.5 3,-1.8 -3,-0.3 4,-0.6 0.874 95.3 59.2 -51.8 -44.1 14.7 106.3 65.0 362 96 B E H >> S+ 0 0 54 -4,-0.4 4,-1.6 -3,-0.3 3,-0.9 0.782 92.1 69.4 -58.3 -28.2 11.4 108.2 65.0 363 97 B L H S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 3,-0.5 0.947 110.4 47.9 -58.7 -49.0 7.9 106.5 57.0 368 102 B K H ><5S+ 0 0 104 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.938 109.3 52.9 -56.6 -49.1 5.6 103.7 58.2 369 103 B R H 3<5S+ 0 0 170 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.781 109.6 50.3 -57.8 -28.5 2.7 106.2 58.8 370 104 B A T 3<5S- 0 0 38 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.395 118.6-110.7 -92.2 2.9 3.2 107.5 55.3 371 105 B G T < 5S+ 0 0 36 -3,-2.1 2,-0.5 -4,-0.3 -3,-0.2 0.777 73.6 138.2 73.8 26.6 3.1 104.0 53.8 372 106 B V < - 0 0 7 -5,-2.9 -1,-0.3 -6,-0.2 -104,-0.2 -0.909 50.9-132.9-110.6 130.7 6.8 104.1 52.9 373 107 B E E -o 268 0H 86 -106,-2.2 -104,-2.8 -2,-0.5 2,-0.4 -0.515 25.7-165.6 -75.5 145.2 9.1 101.2 53.3 374 108 B S E -o 269 0H 15 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.992 9.7-173.3-136.9 145.4 12.5 102.1 55.0 375 109 B Y E -o 270 0H 41 -106,-2.1 -104,-3.2 -2,-0.4 2,-0.5 -0.967 18.1-133.3-134.6 150.3 15.7 100.2 55.3 376 110 B V E -o 271 0H 5 -2,-0.3 2,-0.6 -164,-0.3 -104,-0.2 -0.914 10.6-166.9-112.0 126.9 18.9 101.0 57.3 377 111 B I E -o 272 0H 2 -106,-3.6 -104,-2.2 -2,-0.5 -94,-0.1 -0.947 23.6-145.8-111.0 110.4 22.4 100.7 55.8 378 112 B H + 0 0 5 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.182 21.2 174.8 -74.3 165.6 24.9 100.9 58.6 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -25,-0.1 -266,-0.1 -0.941 45.7 -58.8-159.2 166.8 28.3 102.4 58.7 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.262 50.1-162.5 -58.6 139.7 31.0 103.0 61.4 381 115 B S >> - 0 0 5 -268,-0.3 4,-2.6 -29,-0.2 3,-1.0 -0.894 30.0-123.9-121.2 150.2 30.0 105.1 64.4 382 116 B I H 3> S+ 0 0 34 -2,-0.3 4,-1.4 1,-0.3 5,-0.1 0.827 109.9 71.7 -62.5 -27.3 32.3 106.8 66.9 383 117 B Y H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.878 113.3 24.3 -55.3 -39.7 30.4 104.8 69.5 384 118 B S H X4 S+ 0 0 0 -3,-1.0 3,-1.8 1,-0.1 -2,-0.2 0.737 111.9 70.4 -97.5 -26.2 32.2 101.6 68.2 385 119 B A H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.702 78.2 80.5 -64.9 -18.9 35.3 103.3 66.8 386 120 B V G ><> + 0 0 0 -4,-1.4 3,-2.3 1,-0.3 5,-0.5 0.638 68.3 86.9 -64.5 -7.8 36.5 104.1 70.3 387 121 B G G X 5S+ 0 0 1 -3,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.767 73.2 72.7 -61.2 -20.2 37.6 100.5 70.3 388 122 B I G < 5S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.631 80.7 71.5 -70.8 -10.5 40.8 101.9 68.7 389 123 B T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.592 112.1-116.9 -78.7 -9.9 41.7 103.4 72.1 390 124 B G T < 5S+ 0 0 5 -3,-1.7 2,-0.4 1,-0.3 125,-0.2 0.365 73.9 132.9 89.9 -7.3 42.5 99.9 73.3 391 125 B L < - 0 0 3 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.645 67.0-106.9 -80.6 132.6 39.7 100.2 75.9 392 126 B H > - 0 0 41 -2,-0.4 3,-1.3 1,-0.1 4,-0.2 -0.389 21.2-140.9 -61.4 126.1 37.4 97.2 76.1 393 127 B I G > S+ 0 0 4 -304,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.854 98.5 59.8 -58.0 -37.7 34.0 98.0 74.5 394 128 B Y G 3 S+ 0 0 104 1,-0.3 -261,-2.4 -262,-0.1 -1,-0.3 0.742 97.5 62.5 -65.8 -20.4 32.0 96.1 77.1 395 129 B K G < S+ 0 0 21 -3,-1.3 32,-2.8 -263,-0.2 2,-0.4 0.476 77.8 104.0 -83.8 -2.9 33.5 98.3 79.8 396 130 B F B < -s 427 0J 1 -3,-1.7 32,-0.2 -4,-0.2 -263,-0.1 -0.663 53.1-171.8 -80.4 133.9 31.9 101.5 78.4 397 131 B G - 0 0 1 30,-2.9 32,-0.2 -2,-0.4 -267,-0.1 0.146 46.6 -18.6 -98.6-143.1 28.9 102.6 80.5 398 132 B K - 0 0 66 19,-0.2 31,-0.3 -269,-0.1 -1,-0.3 -0.314 69.0-134.9 -62.9 146.0 26.3 105.3 79.9 399 133 B S - 0 0 2 -271,-1.9 2,-0.3 29,-0.1 31,-0.2 -0.646 22.7-174.0-102.6 162.7 27.5 107.9 77.3 400 134 B A E -t 430 0K 13 29,-2.0 31,-2.6 -2,-0.2 2,-0.4 -0.963 20.8-126.9-150.6 166.8 27.1 111.7 77.6 401 135 B T E -t 431 0K 75 -2,-0.3 2,-0.8 29,-0.2 13,-0.3 -0.974 17.1-138.7-122.2 130.0 27.6 115.0 75.7 402 136 B V E -t 432 0K 0 29,-2.6 31,-1.5 -2,-0.4 2,-0.3 -0.796 28.1-162.0 -87.7 110.9 29.7 117.9 77.1 403 137 B A - 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