==== 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-JUL-06 2DV4 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUCTURAL . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 10.9 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 . 40 7.5 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 . 131 24.7 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 5 2 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 2 4 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 0 154 0, 0.0 106,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -19.6 55.9 97.8 54.8 2 2 A V E -ab 79 107A 11 76,-0.9 78,-3.1 104,-0.1 2,-0.4 -0.941 360.0-145.2-137.9 156.0 52.5 98.1 56.5 3 3 A L E -ab 80 108A 0 104,-2.3 106,-2.1 -2,-0.3 2,-0.4 -0.978 17.0-161.1-119.5 129.0 49.7 96.1 58.2 4 4 A Y E -ab 81 109A 33 76,-2.9 78,-3.3 -2,-0.4 2,-0.7 -0.923 10.5-155.0-112.8 131.2 46.1 97.0 57.9 5 5 A F E -ab 82 110A 0 104,-3.0 106,-3.1 -2,-0.4 2,-0.5 -0.928 26.4-175.5-100.8 114.4 43.3 95.9 60.2 6 6 A I E -ab 83 111A 0 76,-2.5 78,-1.7 -2,-0.7 2,-0.2 -0.956 18.5-140.8-122.2 123.3 40.2 96.1 58.0 7 7 A G E -a 84 0A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.505 4.7-161.9 -77.8 145.4 36.6 95.5 59.1 8 8 A L - 0 0 3 76,-2.6 7,-0.3 78,-0.5 3,-0.1 0.529 38.8-130.5-102.6 -10.2 34.3 93.6 56.8 9 9 A G B -E 86 0B 1 77,-1.6 77,-3.6 75,-0.3 -1,-0.3 -0.364 31.8 -50.7 95.9-173.7 31.0 94.7 58.4 10 10 A L S S- 0 0 2 75,-0.2 30,-0.3 5,-0.2 -1,-0.1 0.881 109.4 -4.1 -74.7 -49.9 27.9 93.0 59.7 11 11 A Y S S+ 0 0 53 1,-0.3 30,-2.4 28,-0.2 31,-0.3 0.800 112.1 13.0-120.9 -51.2 26.3 90.8 57.1 12 12 A D S > S- 0 0 16 29,-0.2 3,-2.1 28,-0.1 -1,-0.3 -0.752 79.2 -89.5-129.0 178.1 27.8 90.5 53.6 13 13 A E G > S+ 0 0 37 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.739 118.5 64.8 -60.1 -23.2 30.9 91.5 51.6 14 14 A R G 3 S+ 0 0 67 1,-0.2 271,-2.6 270,-0.1 272,-0.3 0.501 80.5 80.5 -80.6 -1.0 29.4 94.8 50.7 15 15 A D G < + 0 0 3 -3,-2.1 -1,-0.2 -7,-0.3 2,-0.2 0.460 69.0 103.2 -82.7 -0.4 29.4 95.9 54.3 16 16 A I S < S- 0 0 2 -3,-1.0 268,-2.6 97,-0.1 269,-0.3 -0.531 82.4-109.4 -76.4 147.7 33.1 96.8 54.0 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.6 95,-0.4 266,-0.3 -0.415 21.1-115.5 -76.8 159.0 33.7 100.5 53.7 18 18 A V H > S+ 0 0 10 264,-2.5 4,-2.9 262,-0.3 5,-0.2 0.904 118.9 54.2 -58.7 -39.1 34.9 102.0 50.3 19 19 A K H > S+ 0 0 14 261,-2.6 4,-2.5 263,-0.3 5,-0.3 0.965 108.4 47.5 -58.0 -54.4 38.1 102.9 52.1 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -1,-0.2 0.891 113.4 49.7 -55.3 -41.6 38.7 99.4 53.3 21 21 A L H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.949 110.4 46.8 -65.2 -50.7 37.9 98.0 49.8 22 22 A E H X S+ 0 0 64 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.901 116.3 46.2 -60.5 -39.2 40.3 100.4 47.9 23 23 A I H >< S+ 0 0 28 -4,-2.5 3,-0.8 -5,-0.2 4,-0.5 0.922 111.4 50.8 -69.5 -43.2 43.1 99.7 50.4 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 -5,-0.3 -2,-0.2 0.920 102.9 60.0 -60.1 -44.6 42.6 95.9 50.4 25 25 A K H 3< S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 107.9 46.8 -54.6 -28.1 42.6 95.7 46.6 26 26 A K T << S+ 0 0 150 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.468 87.6 106.6 -96.4 -3.1 46.2 97.2 46.7 27 27 A C < - 0 0 0 -3,-1.7 53,-0.2 -4,-0.5 3,-0.1 -0.391 64.4-140.7 -74.9 155.7 47.7 95.0 49.4 28 28 A D S S+ 0 0 79 51,-2.5 2,-0.4 1,-0.3 52,-0.2 0.836 87.1 24.2 -83.5 -35.8 50.2 92.3 48.5 29 29 A Y E -c 80 0A 107 50,-1.6 52,-2.1 24,-0.1 2,-0.5 -0.991 66.2-162.4-133.7 140.2 48.8 89.7 51.0 30 30 A V E +cd 81 55A 7 24,-0.6 26,-2.3 -2,-0.4 2,-0.3 -0.971 11.1 176.0-128.1 118.6 45.4 89.4 52.6 31 31 A F E +cd 82 56A 11 50,-3.3 52,-2.7 -2,-0.5 2,-0.3 -0.724 6.9 177.4-111.2 165.9 44.8 87.4 55.7 32 32 A A E -cd 83 57A 0 24,-1.9 26,-3.1 50,-0.3 2,-0.4 -0.988 21.1-147.3-164.5 159.2 41.5 87.1 57.6 33 33 A E E - d 0 58A 0 50,-2.0 26,-0.1 -2,-0.3 24,-0.0 -0.982 7.3-176.8-131.8 143.4 39.7 85.4 60.6 34 34 A F + 0 0 58 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.106 63.1 88.2-131.9 36.3 36.1 84.4 60.7 35 35 A Y S S+ 0 0 16 23,-0.1 135,-0.4 1,-0.1 3,-0.1 0.607 73.9 65.7-108.5 -16.9 35.8 83.1 64.2 36 36 A T S S- 0 0 13 1,-0.2 2,-0.3 133,-0.1 -1,-0.1 0.776 118.0 -4.3 -77.3 -24.9 35.0 86.3 66.2 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.2 -0.974 70.6-108.3-158.1 170.8 31.6 86.7 64.4 38 38 A L - 0 0 33 -2,-0.3 2,-1.0 -3,-0.1 -3,-0.1 -0.930 12.4-162.2-114.3 122.9 29.4 85.3 61.7 39 39 A M > - 0 0 16 -2,-0.5 3,-0.9 1,-0.1 -28,-0.2 -0.846 14.2-177.5-100.2 96.0 28.7 87.0 58.4 40 40 A A T 3 + 0 0 40 -2,-1.0 -28,-0.1 -30,-0.3 -1,-0.1 0.423 68.6 59.6 -77.7 -0.1 25.5 85.2 57.4 41 41 A G T 3 S+ 0 0 18 -30,-2.4 2,-0.2 -31,-0.1 -1,-0.2 0.279 104.1 30.4-115.0 14.8 25.1 86.9 54.0 42 42 A T < - 0 0 21 -3,-0.9 2,-0.3 -31,-0.3 3,-0.1 -0.784 63.7-129.3-149.6-169.3 28.2 86.1 52.0 43 43 A T > - 0 0 76 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.929 34.6-103.2-145.3 167.4 31.1 83.6 51.5 44 44 A L H > S+ 0 0 67 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.928 121.3 56.2 -59.0 -43.0 34.8 83.6 51.4 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 105.7 48.1 -55.8 -46.6 34.6 83.3 47.6 46 46 A R H > S+ 0 0 145 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.871 113.2 48.5 -64.8 -35.7 32.4 86.4 47.3 47 47 A I H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.950 112.4 48.2 -68.7 -47.6 34.8 88.4 49.5 48 48 A Q H X>S+ 0 0 58 -4,-3.1 4,-2.4 1,-0.2 5,-1.1 0.901 111.5 51.2 -57.5 -42.4 37.8 87.2 47.5 49 49 A K H <5S+ 0 0 179 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.958 111.7 46.1 -60.3 -51.8 36.1 88.1 44.3 50 50 A L H <5S+ 0 0 49 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 120.0 39.2 -58.1 -45.4 35.2 91.6 45.5 51 51 A I H <5S- 0 0 4 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.747 100.1-137.3 -78.8 -24.4 38.8 92.3 46.8 52 52 A G T <5 + 0 0 57 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.847 66.9 99.0 70.7 34.5 40.4 90.5 43.9 53 53 A K S - 0 0 38 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.450 34.0 -99.1 -91.6 168.8 42.2 80.1 63.1 60 60 A R H > S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.896 127.0 48.4 -55.1 -40.4 41.9 81.4 66.6 61 61 A E H >>S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 5,-1.0 0.901 106.4 55.9 -67.7 -40.7 45.2 79.6 67.5 62 62 A D H >5S+ 0 0 40 3,-0.2 4,-1.1 2,-0.2 7,-0.2 0.924 118.2 35.3 -55.5 -45.1 46.9 81.0 64.4 63 63 A V H X5S+ 0 0 1 -4,-2.3 4,-1.6 3,-0.2 5,-0.2 0.990 121.5 41.8 -72.5 -65.3 46.1 84.5 65.5 64 64 A E H <5S+ 0 0 64 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.800 131.7 24.6 -55.6 -33.1 46.3 84.3 69.3 65 65 A Q H <5S+ 0 0 119 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.797 136.5 20.5-105.3 -33.3 49.5 82.2 69.2 66 66 A N H >XS+ 0 0 0 -4,-1.6 4,-2.2 1,-0.3 5,-1.5 0.924 85.2 50.6 -59.7 -42.1 50.1 86.2 64.5 68 68 A E H 345S+ 0 0 77 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.598 114.7 44.5 -70.9 -11.4 53.6 87.4 64.7 69 69 A N H <45S+ 0 0 104 -3,-1.1 -1,-0.2 -7,-0.2 -2,-0.2 0.687 124.2 29.9-103.5 -26.5 54.9 84.3 62.9 70 70 A I H <5S+ 0 0 31 -4,-2.2 4,-0.3 -8,-0.2 -3,-0.2 0.843 132.5 20.9-100.4 -45.2 52.4 84.1 60.1 71 71 A V T >X5S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.4 3,-1.1 0.942 115.5 54.0 -92.0 -58.0 51.3 87.7 59.4 72 72 A L H 3>4 S+ 0 0 60 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.908 106.7 42.8 -55.1 -40.5 56.8 88.7 58.8 74 74 A L H X> S+ 0 0 54 -3,-1.1 4,-1.3 -4,-0.3 3,-1.3 0.796 102.9 66.8 -74.7 -28.9 55.3 89.6 55.5 75 75 A A H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.3 32,-0.2 0.683 89.7 67.7 -66.3 -16.6 54.2 93.0 56.7 76 76 A K T << S+ 0 0 107 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.746 117.4 19.9 -75.8 -23.1 57.9 94.0 56.9 77 77 A E T <4 S+ 0 0 150 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.2 0.380 127.6 38.1-124.8 -0.6 58.4 93.9 53.1 78 78 A N S < S- 0 0 39 -4,-1.3 -76,-0.9 -76,-0.1 2,-0.7 -0.891 83.2 -95.9-144.7 173.3 54.8 94.2 51.8 79 79 A D E -a 2 0A 54 -2,-0.3 -51,-2.5 -78,-0.2 -50,-1.6 -0.862 50.5-177.1 -94.2 115.7 51.4 95.8 52.3 80 80 A V E -ac 3 29A 0 -78,-3.1 -76,-2.9 -2,-0.7 2,-0.4 -0.927 13.9-160.2-121.2 144.0 49.4 93.3 54.3 81 81 A A E -ac 4 30A 0 -52,-2.1 -50,-3.3 -2,-0.4 2,-0.5 -0.942 6.8-158.0-124.2 144.4 45.8 93.3 55.4 82 82 A F E -ac 5 31A 0 -78,-3.3 -76,-2.5 -2,-0.4 2,-0.3 -0.978 19.0-157.6-121.0 112.4 44.0 91.4 58.2 83 83 A L E +ac 6 32A 0 -52,-2.7 -50,-2.0 -2,-0.5 -76,-0.2 -0.711 15.4 171.3 -96.0 143.7 40.3 91.2 57.6 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.6 -2,-0.3 -75,-0.3 -0.952 37.1 -96.4-143.3 160.9 37.6 90.5 60.3 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.343 91.3 -8.7 -72.8 164.4 33.8 90.6 60.5 86 86 A G B S-E 9 0B 1 -77,-3.6 -77,-1.6 -79,-0.1 -78,-0.5 -0.141 129.7 -15.4 48.2-140.2 32.2 93.8 61.9 87 87 A D > - 0 0 0 446,-2.3 3,-1.6 -80,-0.2 25,-0.1 -0.837 67.6-133.0 -95.3 130.2 34.7 96.2 63.3 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.727 100.8 41.3 -54.4 -28.0 38.1 94.6 63.9 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.5 444,-0.1 304,-0.3 0.182 90.3 101.5-110.4 18.1 38.6 96.0 67.4 90 90 A V S < S- 0 0 0 -3,-1.6 3,-0.1 1,-0.2 26,-0.1 -0.899 100.0 -13.0-107.1 128.1 35.1 95.6 68.9 91 91 A A S S+ 0 0 43 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.845 118.2 96.8 51.2 36.7 34.4 92.7 71.2 92 92 A T S S- 0 0 20 -3,-0.2 3,-0.3 441,-0.1 -1,-0.2 -0.908 79.0-127.7-140.5 167.8 37.7 91.1 70.2 93 93 A T S > S+ 0 0 83 -2,-0.3 3,-0.8 1,-0.2 4,-0.4 0.087 76.2 112.6-103.1 21.8 41.2 91.0 71.6 94 94 A H T > + 0 0 1 -6,-0.3 3,-1.2 1,-0.2 4,-0.5 0.739 58.1 76.1 -66.9 -22.1 42.7 92.1 68.2 95 95 A A T >> S+ 0 0 17 -3,-0.3 3,-2.2 1,-0.3 4,-0.6 0.928 88.9 58.4 -56.3 -41.5 43.8 95.5 69.7 96 96 A E H X> S+ 0 0 54 -3,-0.8 4,-1.5 1,-0.3 3,-0.8 0.783 91.4 70.8 -58.8 -27.2 46.7 93.7 71.4 97 97 A L H <> S+ 0 0 3 -3,-1.2 4,-1.6 -4,-0.4 -1,-0.3 0.723 89.9 61.1 -64.6 -19.0 47.8 92.6 67.9 98 98 A R H <> S+ 0 0 24 -3,-2.2 4,-2.5 -4,-0.5 -1,-0.3 0.839 100.0 54.0 -75.3 -31.9 48.8 96.2 67.2 99 99 A I H S+ 0 0 0 -4,-1.6 5,-3.1 2,-0.2 3,-0.3 0.946 110.7 47.6 -63.7 -46.6 53.0 94.8 65.2 102 102 A K H ><5S+ 0 0 103 -4,-2.5 3,-2.8 1,-0.2 -2,-0.2 0.963 110.1 50.5 -58.1 -54.9 54.8 97.7 66.9 103 103 A R H 3<5S+ 0 0 166 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.761 110.0 53.4 -56.4 -24.1 57.3 95.5 68.7 104 104 A A T 3<5S- 0 0 27 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.325 120.0-109.6 -93.3 7.1 58.0 93.9 65.4 105 105 A G T < 5S+ 0 0 66 -3,-2.8 2,-0.5 1,-0.2 -3,-0.2 0.758 75.2 135.0 72.1 25.2 58.7 97.2 63.7 106 106 A V < - 0 0 4 -5,-3.1 -1,-0.2 -6,-0.2 2,-0.2 -0.930 50.0-139.8-112.6 120.1 55.5 97.1 61.6 107 107 A E E -b 2 0A 126 -106,-0.7 -104,-2.3 -2,-0.5 2,-0.3 -0.525 25.0-161.2 -73.1 140.4 53.3 100.2 61.3 108 108 A S E -b 3 0A 14 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.935 12.1-167.3-128.7 150.6 49.6 99.4 61.5 109 109 A Y E -b 4 0A 62 -106,-2.1 -104,-3.0 -2,-0.3 2,-0.5 -0.955 13.3-138.6-132.8 152.8 46.5 101.2 60.5 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.5 -106,-0.2 -104,-0.2 -0.949 9.4-169.0-119.3 131.1 42.8 100.5 61.2 111 111 A I E -b 6 0A 3 -106,-3.1 -104,-2.4 -2,-0.5 -94,-0.1 -0.973 22.4-143.0-116.3 116.0 39.9 100.8 58.9 112 112 A H - 0 0 7 -2,-0.5 -95,-0.4 -106,-0.2 -92,-0.2 -0.220 17.4-174.3 -75.7 165.6 36.5 100.6 60.6 113 113 A A - 0 0 0 -97,-0.1 268,-0.2 266,-0.1 -97,-0.1 -0.941 45.0 -61.0-151.1 163.6 33.3 98.9 59.4 114 114 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -105,-0.1 -0.234 56.4-157.3 -52.6 136.3 29.7 98.7 60.7 115 115 A S >> - 0 0 0 264,-0.3 4,-2.6 -29,-0.2 3,-1.5 -0.927 27.2-131.6-121.2 144.6 29.6 97.0 64.2 116 116 A I H 3> S+ 0 0 0 -2,-0.4 4,-1.6 1,-0.3 -1,-0.1 0.893 105.5 73.0 -57.2 -36.2 26.8 95.3 66.0 117 117 A Y H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.797 113.7 21.1 -48.9 -35.1 27.7 97.5 68.9 118 118 A S H X4 S+ 0 0 0 -3,-1.5 3,-2.1 2,-0.1 -1,-0.2 0.645 109.5 75.5-107.8 -21.9 26.2 100.5 67.1 119 119 A A H >< S+ 0 0 0 -4,-2.6 3,-2.6 1,-0.3 -2,-0.2 0.752 76.2 81.2 -61.9 -21.2 23.9 98.7 64.7 120 120 A V G ><> + 0 0 0 -4,-1.6 3,-2.5 1,-0.3 5,-0.6 0.668 68.1 86.3 -59.5 -12.5 21.6 98.1 67.7 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.786 74.7 70.2 -57.8 -23.8 20.5 101.6 67.1 122 122 A I G < 5S+ 0 0 4 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.640 82.6 69.8 -71.5 -12.2 18.1 100.1 64.6 123 123 A T G < 5S- 0 0 0 -3,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.657 112.4-118.2 -74.5 -14.1 16.1 98.6 67.6 124 124 A G T < 5S+ 0 0 4 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.389 73.1 131.6 93.4 -5.1 15.0 102.1 68.4 125 125 A L < - 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0 0 1 -3,-1.0 53,-0.2 -4,-0.5 3,-0.1 -0.566 64.5-146.8 -81.6 143.8 18.4 106.1 44.0 294 28 B D S S+ 0 0 82 51,-1.8 2,-0.4 -2,-0.2 52,-0.2 0.835 86.9 25.2 -74.4 -35.3 16.3 108.7 42.1 295 29 B Y E -p 346 0H 104 50,-1.5 52,-2.3 24,-0.1 2,-0.4 -0.983 67.3-163.4-133.3 143.4 16.7 111.3 44.9 296 30 B V E +pq 347 321H 6 24,-0.6 26,-2.2 -2,-0.4 2,-0.2 -0.965 9.7 177.6-133.6 117.5 19.3 111.7 47.6 297 31 B F E -pq 348 322H 8 50,-3.6 52,-2.9 -2,-0.4 2,-0.3 -0.691 5.2-175.0-109.4 167.3 18.9 113.8 50.7 298 32 B A E -pq 349 323H 0 24,-1.8 26,-2.4 50,-0.3 2,-0.4 -0.985 15.2-147.8-158.7 157.2 21.3 114.3 53.5 299 33 B E E + q 0 324H 0 50,-2.0 26,-0.1 -2,-0.3 4,-0.1 -0.978 11.5 178.2-130.3 142.8 21.6 116.0 56.9 300 34 B F + 0 0 33 24,-0.6 25,-0.1 -2,-0.4 50,-0.1 -0.187 61.9 87.4-137.3 41.6 24.8 117.4 58.5 301 35 B Y S S+ 0 0 8 23,-0.1 135,-0.4 135,-0.1 3,-0.1 0.646 80.9 56.5-111.3 -29.8 23.5 118.8 61.8 302 36 B T S S- 0 0 41 1,-0.2 2,-0.3 134,-0.1 -2,-0.1 0.863 131.5 -26.1 -68.2 -34.2 23.7 115.8 64.0 303 37 B S - 0 0 50 -4,-0.1 2,-0.3 132,-0.0 -1,-0.2 -0.962 67.5-116.2-162.3 178.3 27.4 115.7 63.2 304 38 B L - 0 0 12 -2,-0.3 2,-0.8 -3,-0.1 3,-0.1 -0.865 15.1-127.8-126.9 163.6 29.8 116.7 60.4 305 39 B M > - 0 0 14 -2,-0.3 3,-1.6 1,-0.1 -28,-0.1 -0.776 30.0-179.1-109.6 82.0 32.2 114.9 58.0 306 40 B A T 3 S+ 0 0 39 -2,-0.8 -1,-0.1 -30,-0.3 -28,-0.1 0.712 72.3 57.9 -55.2 -29.5 35.4 116.8 58.7 307 41 B G T 3 S+ 0 0 20 -30,-1.9 -1,-0.3 -3,-0.1 2,-0.2 0.299 112.5 24.2 -90.6 11.8 37.6 114.9 56.2 308 42 B T S < S- 0 0 17 -3,-1.6 2,-0.3 -31,-0.3 -3,-0.1 -0.836 70.5-117.2-153.3-170.4 35.5 115.7 53.1 309 43 B T > - 0 0 73 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.899 30.7-109.4-136.2 165.6 33.0 118.1 51.5 310 44 B L H > S+ 0 0 67 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.911 120.3 55.0 -60.7 -40.7 29.5 118.0 50.1 311 45 B G H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 107.0 48.0 -59.6 -44.5 31.0 118.3 46.6 312 46 B R H > S+ 0 0 152 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 112.7 48.8 -66.0 -36.7 33.3 115.3 47.1 313 47 B I H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.925 111.3 49.7 -68.7 -41.7 30.4 113.2 48.4 314 48 B Q H X>S+ 0 0 38 -4,-2.8 4,-3.3 1,-0.2 5,-1.0 0.920 109.5 52.5 -60.9 -43.4 28.2 114.3 45.4 315 49 B K H <5S+ 0 0 178 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.887 111.7 45.8 -58.4 -43.5 31.0 113.4 43.0 316 50 B L H <5S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.923 117.7 41.9 -68.1 -45.4 31.3 109.9 44.5 317 51 B I H <5S- 0 0 3 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.863 97.3-141.4 -70.6 -35.5 27.5 109.3 44.6 318 52 B G T <5 + 0 0 59 -4,-3.3 2,-0.3 1,-0.3 -3,-0.2 0.778 65.6 101.9 78.1 26.5 27.1 110.9 41.1 319 53 B K S - 0 0 55 -2,-0.4 4,-2.2 -26,-0.1 5,-0.2 -0.308 35.6 -96.6 -87.4 176.6 18.4 121.4 58.2 326 60 B R H > S+ 0 0 108 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.913 128.3 48.9 -60.9 -42.2 17.3 120.1 61.6 327 61 B E H >>S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 5,-1.4 0.920 106.6 56.2 -63.8 -43.6 14.0 121.9 61.1 328 62 B D H >5S+ 0 0 35 3,-0.2 4,-0.9 2,-0.2 8,-0.3 0.943 119.6 31.7 -51.7 -50.6 13.6 120.3 57.6 329 63 B V H X5S+ 0 0 1 -4,-2.2 4,-1.6 3,-0.2 5,-0.2 0.988 122.0 43.7 -72.9 -63.0 14.0 116.9 59.1 330 64 B E H <5S+ 0 0 54 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.846 132.0 21.2 -55.3 -39.1 12.4 117.2 62.6 331 65 B Q H <5S+ 0 0 111 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.2 0.824 135.5 27.3-100.0 -36.5 9.4 119.2 61.5 332 66 B N H >XS+ 0 0 0 -4,-1.6 4,-1.8 1,-0.3 5,-1.7 0.899 82.1 52.5 -53.8 -43.6 10.5 115.1 56.9 334 68 B E H 345S+ 0 0 84 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.638 115.8 40.8 -69.5 -13.1 7.1 113.8 55.9 335 69 B N H <45S+ 0 0 106 -3,-1.6 -2,-0.2 -7,-0.2 -1,-0.2 0.745 123.4 34.3-102.7 -31.3 6.6 116.7 53.5 336 70 B I H <5S+ 0 0 27 -4,-2.6 4,-0.4 -8,-0.3 -3,-0.2 0.906 132.6 16.2 -90.2 -49.3 10.1 117.0 52.0 337 71 B V T X5S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.3 3,-0.4 0.914 116.9 56.5 -94.0 -52.0 11.4 113.4 51.8 338 72 B L H >> S+ 0 0 63 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.960 109.5 39.3 -55.6 -51.0 6.4 112.3 49.2 340 74 B L H >> S+ 0 0 55 -3,-0.4 4,-1.3 -4,-0.4 3,-0.8 0.816 108.3 63.9 -67.2 -29.6 9.1 111.4 46.7 341 75 B A H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.2 32,-0.2 0.692 91.9 67.7 -67.6 -17.8 9.8 108.2 48.5 342 76 B K H << S+ 0 0 95 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.831 117.8 17.5 -71.7 -33.5 6.2 107.1 47.7 343 77 B E H << S+ 0 0 162 -3,-0.8 2,-0.3 -4,-0.5 -2,-0.2 0.365 127.8 39.8-120.8 3.5 6.9 106.8 43.9 344 78 B N S < S- 0 0 47 -4,-1.3 -76,-1.0 -5,-0.1 2,-0.7 -0.894 85.9 -93.8-144.2 172.4 10.7 106.6 43.8 345 79 B D E -n 268 0H 59 -2,-0.3 -51,-1.8 -53,-0.2 -50,-1.5 -0.841 49.1-171.6 -91.5 118.0 13.8 105.2 45.5 346 80 B V E -np 269 295H 0 -78,-2.8 -76,-2.9 -2,-0.7 2,-0.4 -0.903 12.4-154.5-117.2 144.0 15.0 107.8 47.9 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.6 -2,-0.4 2,-0.5 -0.925 3.4-164.8-117.8 140.2 18.2 108.0 50.0 348 82 B F E -np 271 297H 0 -78,-3.1 -76,-2.5 -2,-0.4 2,-0.3 -0.947 15.2-159.2-125.1 106.7 18.7 109.8 53.3 349 83 B L E +np 272 298H 0 -52,-2.9 -50,-2.0 -2,-0.5 -76,-0.2 -0.683 14.1 173.4 -90.4 138.6 22.4 110.2 54.2 350 84 B T E -n 273 0H 2 -78,-2.0 -76,-2.8 -2,-0.3 -75,-0.4 -0.983 37.1-102.0-139.7 148.6 23.6 110.9 57.7 351 85 B P S S- 0 0 11 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.322 89.6 -0.9 -66.2 157.2 27.1 111.0 59.1 352 86 B G B S-R 275 0I 15 -77,-3.1 -77,-1.9 -79,-0.1 29,-0.2 -0.356 122.9 -17.4 68.0-141.3 28.2 107.9 61.1 353 87 B D S > S- 0 0 5 -80,-0.2 3,-1.7 -79,-0.1 4,-0.4 -0.889 76.3-111.4-104.2 127.0 25.7 105.1 61.5 354 88 B P T 3 S+ 0 0 0 0, 0.0 25,-0.1 0, 0.0 -233,-0.1 -0.246 99.5 22.2 -57.0 146.4 22.0 105.9 60.9 355 89 B L T 3 S+ 0 0 5 2,-0.1 -228,-0.3 1,-0.1 6,-0.2 0.397 88.8 103.8 77.6 -2.9 19.8 105.8 64.0 356 90 B V < + 0 0 24 -3,-1.7 -229,-0.5 -230,-0.1 2,-0.4 0.904 65.2 81.0 -72.8 -38.5 22.6 106.3 66.5 357 91 B A S >> S- 0 0 30 -4,-0.4 3,-1.8 1,-0.1 4,-0.6 -0.530 94.4-126.8 -65.7 120.6 21.4 109.9 66.7 358 92 B T T 34 S+ 0 0 61 -2,-0.4 4,-0.4 1,-0.3 3,-0.3 0.731 102.0 50.8 -41.5 -37.5 18.5 109.6 69.2 359 93 B T T 34 S+ 0 0 53 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.686 92.0 74.0 -81.9 -18.5 15.9 111.3 66.9 360 94 B H T X> S+ 0 0 2 -3,-1.8 3,-1.5 1,-0.2 4,-0.5 0.863 83.6 64.8 -64.0 -39.4 16.5 109.4 63.7 361 95 B A H >X S+ 0 0 8 -4,-0.6 3,-2.1 1,-0.3 4,-0.6 0.904 95.7 60.1 -50.5 -45.2 14.7 106.1 64.7 362 96 B E H >> S+ 0 0 54 -4,-0.4 4,-1.5 -3,-0.3 3,-1.1 0.772 89.9 70.6 -55.2 -29.2 11.4 108.0 64.9 363 97 B L H <> S+ 0 0 2 -3,-1.5 4,-1.9 -4,-0.5 -1,-0.3 0.780 90.8 60.3 -62.0 -25.4 11.7 108.9 61.2 364 98 B R H S+ 0 0 0 -4,-1.9 5,-2.9 1,-0.2 4,-0.2 0.939 108.4 52.0 -62.2 -47.2 7.8 106.4 56.9 368 102 B K H ><5S+ 0 0 99 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.901 109.4 49.2 -56.6 -43.2 5.6 103.6 58.0 369 103 B R H 3<5S+ 0 0 163 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.3 54.2 -69.9 -31.0 2.6 105.9 58.5 370 104 B A T 3<5S- 0 0 39 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.412 120.8-109.8 -80.0 4.3 3.1 107.4 55.0 371 105 B G T < 5S+ 0 0 33 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.829 74.3 138.4 73.6 30.7 3.0 103.9 53.6 372 106 B V < - 0 0 7 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.928 49.7-134.4-114.6 130.7 6.7 104.0 52.7 373 107 B E E -o 268 0H 95 -106,-1.9 -104,-2.8 -2,-0.5 2,-0.4 -0.531 24.3-165.1 -76.8 145.6 9.1 101.1 53.3 374 108 B S E -o 269 0H 14 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.982 9.3-172.7-134.9 147.4 12.4 101.9 54.9 375 109 B Y E -o 270 0H 39 -106,-1.9 -104,-2.8 -2,-0.4 2,-0.5 -0.983 18.0-133.0-137.0 146.9 15.7 100.0 55.1 376 110 B V E -o 271 0H 6 -2,-0.3 2,-0.6 -164,-0.3 -104,-0.2 -0.890 11.4-168.2-109.7 128.5 18.8 100.8 57.0 377 111 B I E -o 272 0H 2 -106,-3.2 -104,-2.2 -2,-0.5 -94,-0.1 -0.959 24.5-145.4-112.0 111.0 22.3 100.6 55.6 378 112 B H + 0 0 6 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.178 19.6 179.9 -75.3 166.4 24.8 100.9 58.4 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -25,-0.1 -105,-0.1 -0.959 44.3 -62.6-157.7 162.5 28.3 102.5 58.5 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.236 50.3-161.0 -54.9 138.2 31.0 102.9 61.2 381 115 B S >> - 0 0 5 -268,-0.2 4,-2.8 -29,-0.2 3,-1.1 -0.882 29.1-124.2-119.9 151.2 30.0 105.0 64.2 382 116 B I H 3> S+ 0 0 32 -2,-0.3 4,-1.5 1,-0.3 5,-0.1 0.803 110.4 70.9 -63.4 -26.4 32.3 106.7 66.7 383 117 B Y H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.855 113.9 24.7 -57.5 -36.5 30.4 104.7 69.3 384 118 B S H X4 S+ 0 0 0 -3,-1.1 3,-1.8 1,-0.1 -2,-0.2 0.744 112.4 69.0 -99.5 -29.9 32.2 101.6 68.0 385 119 B A H >< S+ 0 0 0 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.724 79.7 79.6 -62.1 -23.1 35.3 103.2 66.5 386 120 B V G >< + 0 0 0 -4,-1.5 3,-2.9 1,-0.3 5,-0.5 0.681 69.0 86.2 -60.0 -14.6 36.5 104.1 70.0 387 121 B G G X S+ 0 0 1 -3,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.754 73.1 73.3 -56.4 -20.9 37.7 100.5 70.1 388 122 B I G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.637 80.7 71.8 -69.3 -11.0 40.8 101.9 68.4 389 123 B T G < S- 0 0 0 -3,-2.9 -1,-0.3 2,-0.2 -2,-0.2 0.557 111.5-117.6 -79.3 -7.5 41.7 103.4 71.8 390 124 B G S < S+ 0 0 5 -3,-1.7 2,-0.3 1,-0.3 125,-0.2 0.349 73.8 131.7 87.8 -9.5 42.5 99.9 73.1 391 125 B L - 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