==== 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 30-MAR-07 2PCM . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YAMAMOTO,M.TAKETA,Y.TANAKA,Y.MATSUURA,N.KUNISHIMA,RIKEN ST . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21614.0 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 . 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 . 0 0.0 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 . 74 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 24.1 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 7 0 0 0 4 3 1 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 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 94 0, 0.0 106,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 75.9 56.0 97.1 56.8 2 2 A V E -ab 79 107A 17 76,-1.1 78,-3.5 104,-0.1 2,-0.5 -0.974 360.0-138.6-140.6 151.4 52.7 97.9 58.5 3 3 A L E -ab 80 108A 0 104,-3.0 106,-2.4 -2,-0.3 2,-0.5 -0.954 16.6-160.6-113.7 126.7 49.9 95.9 60.2 4 4 A Y E -ab 81 109A 33 76,-3.4 78,-3.2 -2,-0.5 2,-0.8 -0.918 8.1-157.0-109.5 123.2 46.3 96.9 59.6 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.3 -2,-0.5 2,-0.5 -0.884 24.8-176.9 -94.9 113.0 43.5 95.8 61.9 6 6 A I E -ab 83 111A 0 76,-2.6 78,-1.7 -2,-0.8 2,-0.2 -0.956 18.8-142.4-120.7 125.2 40.4 96.1 59.7 7 7 A G E -a 84 0A 0 104,-2.1 10,-0.5 -2,-0.5 80,-0.2 -0.588 2.2-158.5 -82.5 143.3 36.8 95.5 60.8 8 8 A L - 0 0 3 76,-2.8 7,-0.4 1,-0.3 3,-0.2 0.509 43.0-125.7 -96.5 -9.8 34.5 93.7 58.4 9 9 A G B -E 86 0B 0 77,-1.4 77,-3.2 75,-0.4 -1,-0.3 -0.384 34.6 -48.2 97.2-175.4 31.3 95.0 60.1 10 10 A L S S- 0 0 1 75,-0.2 -1,-0.2 5,-0.2 199,-0.1 0.886 113.0 -7.1 -67.1 -52.6 28.1 93.6 61.6 11 11 A Y S S+ 0 0 44 1,-0.3 30,-1.8 -3,-0.2 31,-0.5 0.781 112.6 8.0-122.4 -55.4 26.6 91.1 59.1 12 12 A D S > S- 0 0 16 29,-0.2 3,-2.1 28,-0.1 -1,-0.3 -0.750 80.6 -80.8-132.4-178.8 28.1 90.7 55.6 13 13 A E G > S+ 0 0 21 1,-0.3 3,-0.8 -2,-0.2 271,-0.2 0.708 119.1 62.1 -57.8 -22.7 31.0 91.7 53.3 14 14 A R G 3 S+ 0 0 69 1,-0.2 271,-2.9 270,-0.1 272,-0.3 0.484 82.7 79.4 -85.4 0.5 29.5 95.1 52.5 15 15 A D G < S+ 0 0 1 -3,-2.1 -1,-0.2 -7,-0.4 2,-0.2 0.444 70.5 102.9 -84.8 0.8 29.6 96.2 56.1 16 16 A I S < S- 0 0 5 -3,-0.8 268,-2.6 -4,-0.1 269,-0.3 -0.572 81.4-111.7 -79.4 145.7 33.3 97.0 55.7 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.3 95,-0.4 266,-0.3 -0.421 19.6-117.5 -76.4 157.8 34.0 100.6 55.3 18 18 A V H > S+ 0 0 13 264,-2.7 4,-2.7 262,-0.4 5,-0.2 0.892 117.3 55.9 -60.6 -38.6 35.3 101.9 51.9 19 19 A K H > S+ 0 0 0 261,-2.6 4,-1.6 263,-0.3 -1,-0.2 0.935 108.3 47.1 -58.3 -47.3 38.5 103.0 53.7 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -1,-0.2 0.889 111.9 50.5 -63.0 -40.5 39.0 99.4 54.9 21 21 A L H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.941 109.1 49.3 -63.7 -49.8 38.3 97.9 51.5 22 22 A E H X S+ 0 0 78 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.809 115.2 45.2 -61.6 -30.3 40.7 100.1 49.6 23 23 A I H >< S+ 0 0 17 -4,-1.6 3,-0.9 -5,-0.2 -1,-0.2 0.914 110.1 52.8 -78.8 -44.2 43.5 99.4 52.2 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.873 104.8 58.1 -57.4 -37.9 42.8 95.6 52.2 25 25 A K H 3< S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.797 107.9 46.1 -62.8 -30.9 43.1 95.6 48.4 26 26 A K T << S+ 0 0 175 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.3 0.116 88.5 109.2-101.0 20.2 46.6 97.0 48.6 27 27 A C < - 0 0 1 -3,-1.4 53,-0.2 1,-0.1 3,-0.1 -0.733 62.0-144.2 -96.2 146.6 48.0 94.7 51.3 28 28 A D S S+ 0 0 88 51,-2.0 2,-0.4 -2,-0.3 52,-0.2 0.914 86.8 25.3 -74.6 -42.4 50.5 92.0 50.5 29 29 A Y E -c 80 0A 108 50,-1.4 52,-2.3 24,-0.1 2,-0.5 -0.965 68.6-160.1-126.2 141.8 49.1 89.5 53.0 30 30 A V E +cd 81 55A 8 24,-0.5 26,-2.1 -2,-0.4 2,-0.3 -0.970 12.5 174.2-126.6 119.7 45.6 89.2 54.4 31 31 A F E +cd 82 56A 10 50,-3.4 52,-3.1 -2,-0.5 2,-0.3 -0.757 4.4 175.0-115.6 165.3 44.7 87.4 57.6 32 32 A A E -cd 83 57A 0 24,-1.6 26,-3.0 50,-0.3 2,-0.3 -0.984 18.9-147.2-164.3 160.5 41.4 87.1 59.4 33 33 A E E - d 0 58A 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.978 7.5-175.9-134.0 146.1 39.6 85.5 62.4 34 34 A F + 0 0 55 24,-0.6 5,-0.1 -2,-0.3 50,-0.1 -0.152 65.0 87.0-134.5 39.3 36.0 84.4 62.6 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.4 3,-0.1 136,-0.1 0.612 75.7 65.3-110.9 -18.8 35.8 83.2 66.2 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.647 118.2 -6.6 -79.4 -15.1 35.0 86.5 68.0 37 37 A S S S- 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.980 70.8-104.8-166.9 170.2 31.6 86.9 66.3 38 38 A L - 0 0 36 -2,-0.3 2,-0.9 -28,-0.1 -3,-0.1 -0.931 14.1-166.0-113.6 124.4 29.3 85.5 63.7 39 39 A M > + 0 0 14 -2,-0.5 3,-1.2 1,-0.1 -28,-0.1 -0.801 13.3 177.1-105.7 86.7 28.7 87.1 60.3 40 40 A A T 3 S+ 0 0 38 -2,-0.9 -28,-0.1 1,-0.2 -1,-0.1 0.411 70.5 62.1 -71.9 1.3 25.6 85.1 59.2 41 41 A G T 3 S+ 0 0 22 -30,-1.8 -1,-0.2 -31,-0.1 2,-0.2 0.491 104.8 31.1-108.1 -2.8 25.3 87.1 56.0 42 42 A T < - 0 0 23 -3,-1.2 2,-0.3 -31,-0.5 -3,-0.1 -0.697 58.8-136.6-139.0-170.5 28.5 86.3 54.2 43 43 A T > - 0 0 87 -2,-0.2 4,-1.3 1,-0.1 3,-0.1 -0.907 37.7-106.4-144.3 165.5 31.3 83.8 53.5 44 44 A L H > S+ 0 0 50 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.884 116.3 66.7 -63.9 -35.8 35.1 84.2 53.3 45 45 A G H > S+ 0 0 36 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.912 99.1 45.9 -49.8 -54.8 34.6 83.8 49.5 46 46 A R H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 114.7 50.6 -58.7 -37.7 32.7 87.0 49.0 47 47 A I H X S+ 0 0 5 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.949 114.3 41.8 -64.9 -50.9 35.3 88.8 51.2 48 48 A Q H X>S+ 0 0 53 -4,-3.4 4,-3.5 2,-0.2 5,-0.8 0.924 117.1 48.5 -62.0 -44.8 38.2 87.3 49.2 49 49 A K H <5S+ 0 0 188 -4,-3.7 -2,-0.2 -5,-0.3 -1,-0.2 0.894 114.7 46.7 -61.4 -39.9 36.4 88.0 45.9 50 50 A M H <5S+ 0 0 44 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.862 120.2 37.5 -70.2 -38.8 35.7 91.5 47.1 51 51 A I H <5S- 0 0 7 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.771 99.4-133.6 -85.5 -29.3 39.2 92.1 48.3 52 52 A G T <5S+ 0 0 60 -4,-3.5 2,-0.3 1,-0.3 -3,-0.2 0.692 70.9 96.7 82.9 19.1 41.0 90.3 45.5 53 53 A K S - 0 0 38 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.435 34.2-102.4 -90.2 168.7 42.1 80.1 65.1 60 60 A R H > S+ 0 0 106 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.899 126.3 51.5 -58.1 -38.0 41.9 81.6 68.6 61 61 A E H >>S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 5,-1.0 0.939 105.6 52.6 -65.2 -47.5 45.0 79.6 69.3 62 62 A D H >5S+ 0 0 37 3,-0.2 4,-1.0 2,-0.2 8,-0.3 0.912 119.4 37.7 -53.7 -43.0 46.9 81.0 66.3 63 63 A V H X5S+ 0 0 1 -4,-2.3 4,-1.5 3,-0.2 5,-0.2 0.989 119.0 41.6 -73.7 -63.5 46.0 84.5 67.4 64 64 A E H <5S+ 0 0 69 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.731 133.2 22.0 -60.6 -24.2 46.3 84.4 71.2 65 65 A L H <5S+ 0 0 101 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.723 134.4 26.8-115.1 -30.4 49.4 82.3 71.2 66 66 A N H >XS+ 0 0 0 -4,-1.5 4,-2.2 1,-0.3 5,-1.6 0.919 85.1 48.8 -52.4 -47.6 50.2 86.1 66.4 68 68 A E H 345S+ 0 0 74 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.572 116.8 45.2 -70.3 -7.3 53.8 87.3 66.7 69 69 A N H <45S+ 0 0 101 -3,-1.8 -2,-0.2 -7,-0.2 -1,-0.2 0.713 123.5 28.9-104.8 -30.9 54.9 84.1 65.0 70 70 A I H <5S+ 0 0 31 -4,-2.8 4,-0.2 -8,-0.3 -3,-0.2 0.851 133.5 18.3 -98.3 -42.7 52.4 83.9 62.2 71 71 A V T >X5S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.4 3,-1.1 0.911 114.4 56.8 -97.4 -57.4 51.4 87.5 61.3 72 72 A L H 3>4 S+ 0 0 71 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.899 105.7 45.0 -50.8 -43.1 57.0 88.4 60.9 74 74 A L H X> S+ 0 0 50 -3,-1.1 3,-1.6 -4,-0.2 4,-0.9 0.853 104.0 62.2 -69.8 -35.4 55.4 89.3 57.5 75 75 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 32,-0.2 0.662 88.4 75.1 -65.4 -14.5 54.5 92.9 58.6 76 76 A K T << S+ 0 0 91 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.746 118.2 10.4 -70.9 -22.5 58.2 93.5 59.1 77 77 A E T <4 S+ 0 0 170 -3,-1.6 2,-0.3 -4,-0.2 -2,-0.2 0.207 129.4 47.2-138.9 11.9 58.8 93.8 55.3 78 78 A N S < S- 0 0 45 -4,-0.9 -76,-1.1 -5,-0.1 2,-0.7 -0.908 84.0-100.5-146.0 171.4 55.2 93.9 53.9 79 79 A D E -a 2 0A 49 -2,-0.3 -51,-2.0 -78,-0.3 -50,-1.4 -0.896 46.9-170.7 -99.5 115.7 51.9 95.6 54.4 80 80 A V E -ac 3 29A 0 -78,-3.5 -76,-3.4 -2,-0.7 2,-0.4 -0.879 13.1-158.1-116.3 143.7 49.7 93.1 56.3 81 81 A A E -ac 4 30A 0 -52,-2.3 -50,-3.4 -2,-0.4 2,-0.5 -0.922 3.0-163.8-119.1 143.0 46.0 93.2 57.1 82 82 A F E -ac 5 31A 0 -78,-3.2 -76,-2.6 -2,-0.4 2,-0.3 -0.980 16.4-158.1-125.3 112.2 44.2 91.3 59.9 83 83 A L E +ac 6 32A 0 -52,-3.1 -50,-1.9 -2,-0.5 -76,-0.2 -0.736 15.3 170.7 -97.1 143.0 40.4 91.2 59.4 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.8 -2,-0.3 -75,-0.4 -0.957 38.1 -91.1-144.0 160.3 37.8 90.6 62.1 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.329 91.1 -14.4 -68.8 156.8 34.0 90.8 62.5 86 86 A G B S-E 9 0B 2 -77,-3.2 -77,-1.4 -79,-0.1 -78,-0.2 -0.164 129.0 -13.6 51.0-138.3 32.5 94.1 63.6 87 87 A D > - 0 0 0 446,-2.7 3,-1.6 -80,-0.2 25,-0.1 -0.859 69.8-133.1 -94.7 128.3 35.0 96.6 65.0 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.731 100.9 42.6 -54.0 -26.6 38.3 94.8 65.8 89 89 A L T 3 S+ 0 0 10 5,-0.1 2,-0.7 444,-0.1 3,-0.3 0.307 88.1 103.2-106.6 10.4 38.8 96.3 69.2 90 90 A V S < S- 0 0 0 -3,-1.6 -3,-0.1 443,-0.2 26,-0.1 -0.833 102.0 -19.0-100.9 113.1 35.2 96.0 70.6 91 91 A A S S+ 0 0 44 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.873 117.6 94.0 62.9 38.2 34.6 93.2 73.1 92 92 A T S S- 0 0 23 -3,-0.3 -1,-0.3 441,-0.1 3,-0.2 -0.815 81.1-123.0-140.7 177.5 37.7 91.3 72.0 93 93 A T S > S+ 0 0 85 -2,-0.3 3,-1.3 1,-0.1 4,-0.4 0.094 76.7 115.5-112.7 20.5 41.2 91.3 73.4 94 94 A H T > + 0 0 1 -6,-0.4 3,-0.9 1,-0.3 4,-0.5 0.682 58.2 74.6 -63.8 -19.3 42.6 92.3 70.0 95 95 A A T >> S+ 0 0 16 1,-0.3 3,-1.5 -3,-0.2 4,-0.6 0.860 89.2 60.1 -61.2 -34.8 43.8 95.7 71.4 96 96 A E H X> S+ 0 0 53 -3,-1.3 4,-1.6 1,-0.3 3,-0.7 0.781 91.1 68.7 -64.4 -26.0 46.6 93.8 73.2 97 97 A L H <> S+ 0 0 3 -3,-0.9 4,-1.9 -4,-0.4 -1,-0.3 0.769 91.1 61.3 -65.1 -23.1 47.8 92.6 69.8 98 98 A R H <> S+ 0 0 25 -3,-1.5 4,-2.3 -4,-0.5 -1,-0.3 0.841 101.0 52.9 -71.1 -31.8 48.9 96.2 69.1 99 99 A I H S+ 0 0 0 -4,-1.9 5,-3.1 2,-0.2 -1,-0.2 0.940 110.7 47.3 -62.5 -45.0 53.1 94.7 67.2 102 102 A K H ><5S+ 0 0 105 -4,-2.3 3,-2.9 1,-0.2 -2,-0.2 0.963 109.4 51.6 -60.5 -53.6 54.9 97.5 68.9 103 103 A R H 3<5S+ 0 0 151 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.779 109.0 52.3 -55.9 -26.8 57.3 95.2 70.8 104 104 A A T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.284 120.9-111.4 -91.2 9.6 58.1 93.5 67.5 105 105 A G T < 5S+ 0 0 38 -3,-2.9 2,-0.5 1,-0.2 -3,-0.2 0.802 73.0 137.3 66.7 29.7 58.8 96.9 66.0 106 106 A V < - 0 0 6 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.928 50.0-134.0-112.1 130.3 55.8 96.8 63.7 107 107 A E E -b 2 0A 117 -106,-0.8 -104,-3.0 -2,-0.5 2,-0.4 -0.607 25.6-164.5 -80.9 139.3 53.6 99.9 63.1 108 108 A S E -b 3 0A 16 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.956 10.9-166.4-129.6 147.3 49.9 99.2 63.3 109 109 A Y E -b 4 0A 51 -106,-2.4 -104,-3.1 -2,-0.4 2,-0.5 -0.946 14.4-138.4-128.6 150.0 46.7 101.1 62.2 110 110 A V E -b 5 0A 7 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.938 10.3-168.5-114.7 124.0 43.1 100.5 63.1 111 111 A I E -b 6 0A 2 -106,-3.3 -104,-2.1 -2,-0.5 -94,-0.1 -0.945 22.4-143.5-110.9 112.4 40.3 100.8 60.6 112 112 A H - 0 0 10 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.140 17.7-174.1 -71.7 166.7 36.9 100.8 62.3 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.958 43.8 -65.2-153.6 161.2 33.7 99.2 61.1 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 264,-0.0 -0.312 56.7-158.5 -57.2 133.4 30.1 99.2 62.4 115 115 A S >> - 0 0 0 264,-0.3 4,-1.9 -29,-0.2 3,-1.0 -0.841 30.0-124.4-116.4 151.6 29.9 97.4 65.7 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.821 108.5 70.8 -61.1 -27.6 27.0 95.8 67.6 117 117 A Y H 34 S+ 0 0 12 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.859 110.1 27.9 -59.1 -38.6 27.9 98.1 70.5 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-1.8 1,-0.2 -1,-0.2 0.692 107.4 73.9 -96.0 -21.4 26.6 101.2 68.6 119 119 A A H >< S+ 0 0 0 -4,-1.9 3,-2.5 1,-0.3 4,-0.2 0.695 72.4 86.1 -64.9 -16.5 24.0 99.3 66.5 120 120 A V G ><>S+ 0 0 1 -4,-0.9 3,-2.2 1,-0.3 5,-0.6 0.730 70.3 81.5 -56.9 -17.1 21.9 99.0 69.7 121 121 A G G X 5S+ 0 0 1 -3,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.781 76.8 67.5 -58.7 -26.5 20.6 102.4 68.6 122 122 A I G < 5S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.591 86.4 69.5 -71.9 -8.0 18.3 100.7 66.2 123 123 A T G < 5S- 0 0 0 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.614 111.1-120.1 -82.4 -12.5 16.4 99.3 69.3 124 124 A G T < 5S+ 0 0 2 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.409 72.1 131.0 89.3 -3.4 15.2 102.9 70.0 125 125 A L S - 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