==== 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 22-MAR-07 2EK2 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,Y.MATSUURA,Y.TANAKA,T.NAKAMOTO,N.KUNISHIMA,RIKEN STR . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 71.9 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 . 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.6 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 8 1 0 0 5 1 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 0 120 0, 0.0 106,-1.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 63.4 57.2 96.5 58.4 2 2 A V E -ab 79 107A 15 76,-1.1 78,-3.2 104,-0.2 2,-0.5 -0.956 360.0-143.7-134.3 150.3 53.8 97.5 59.7 3 3 A L E -ab 80 108A 0 104,-3.1 106,-2.2 -2,-0.3 2,-0.5 -0.966 13.2-160.2-116.6 125.9 50.8 95.7 61.4 4 4 A Y E -ab 81 109A 35 76,-2.9 78,-3.3 -2,-0.5 2,-0.8 -0.911 7.8-156.5-108.2 122.9 47.2 96.7 60.6 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.5 -2,-0.5 2,-0.5 -0.882 25.5-174.4 -94.2 114.6 44.4 95.8 63.0 6 6 A I E -ab 83 111A 0 76,-2.5 78,-1.7 -2,-0.8 2,-0.3 -0.948 18.6-141.1-120.2 124.0 41.4 95.9 60.6 7 7 A G E -a 84 0A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.580 5.3-162.5 -80.6 140.8 37.8 95.5 61.6 8 8 A L - 0 0 3 76,-2.8 7,-0.3 78,-0.4 3,-0.1 0.546 39.8-126.0 -97.7 -11.9 35.5 93.5 59.3 9 9 A G B -E 86 0B 0 77,-1.5 77,-3.1 75,-0.4 -1,-0.3 -0.338 30.1 -54.9 99.8-179.9 32.2 94.7 60.6 10 10 A L S S- 0 0 2 75,-0.2 30,-0.3 5,-0.2 -1,-0.1 0.885 109.4 -4.3 -70.8 -50.7 28.9 93.3 61.9 11 11 A Y S S+ 0 0 56 1,-0.3 30,-1.9 199,-0.2 31,-0.3 0.805 113.3 12.6-118.8 -59.9 27.4 90.9 59.4 12 12 A D S > S- 0 0 19 198,-0.2 3,-1.9 29,-0.2 -1,-0.3 -0.637 79.8 -89.1-120.8-178.7 29.0 90.4 56.0 13 13 A E G > S+ 0 0 38 1,-0.3 3,-0.9 28,-0.3 271,-0.1 0.692 118.7 63.9 -63.0 -20.3 32.2 91.1 54.1 14 14 A R G 3 S+ 0 0 63 1,-0.2 271,-2.8 270,-0.1 270,-0.4 0.454 80.2 82.1 -84.9 -1.3 30.9 94.5 52.9 15 15 A D G < + 0 0 1 -3,-1.9 -1,-0.2 -7,-0.3 -5,-0.2 0.502 69.1 103.5 -80.6 -4.0 30.7 95.8 56.5 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.7 97,-0.1 269,-0.3 -0.459 82.5-108.7 -70.5 150.4 34.4 96.6 56.3 17 17 A T B > -F 283 0C 2 -10,-0.5 4,-2.7 95,-0.4 266,-0.3 -0.552 21.1-118.3 -80.6 151.5 35.2 100.3 55.8 18 18 A V H > S+ 0 0 12 264,-2.6 4,-2.7 1,-0.3 5,-0.2 0.897 119.0 54.6 -53.1 -40.6 36.5 101.4 52.4 19 19 A K H > S+ 0 0 21 261,-2.5 4,-1.6 263,-0.4 -1,-0.3 0.931 109.0 47.9 -58.4 -46.5 39.6 102.5 54.2 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -2,-0.2 0.929 112.2 48.5 -61.1 -47.0 40.0 99.0 55.7 21 21 A L H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.948 110.5 49.3 -59.1 -52.7 39.4 97.3 52.3 22 22 A E H X S+ 0 0 70 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.789 114.8 44.9 -60.8 -30.8 41.9 99.4 50.4 23 23 A I H >< S+ 0 0 28 -4,-1.6 3,-0.7 -5,-0.2 4,-0.2 0.911 112.5 50.2 -79.2 -43.4 44.7 98.9 53.0 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.844 104.4 60.6 -61.5 -34.8 44.0 95.2 53.4 25 25 A K H 3< S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.826 107.1 45.1 -61.6 -34.3 44.2 94.8 49.6 26 26 A K T << S+ 0 0 143 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.300 88.2 113.0 -95.2 8.4 47.8 96.1 49.5 27 27 A C < - 0 0 1 -3,-1.2 53,-0.2 -4,-0.2 3,-0.1 -0.535 61.6-142.3 -82.5 149.1 49.1 94.1 52.4 28 28 A D S S+ 0 0 81 51,-1.9 2,-0.4 1,-0.2 52,-0.2 0.877 87.2 21.1 -75.5 -40.7 51.7 91.3 51.9 29 29 A Y E -c 80 0A 109 50,-1.6 52,-2.5 24,-0.1 2,-0.5 -0.992 68.1-160.5-133.0 139.5 50.3 88.9 54.5 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.3 -2,-0.4 2,-0.3 -0.976 10.7 178.1-126.0 121.0 46.8 88.8 55.9 31 31 A F E -cd 82 56A 5 50,-3.8 52,-3.0 -2,-0.5 2,-0.3 -0.771 6.4-179.8-113.2 161.7 45.9 87.0 59.2 32 32 A A E -cd 83 57A 0 24,-1.9 26,-3.1 -2,-0.3 2,-0.4 -0.986 19.7-149.1-157.2 163.4 42.5 86.8 60.9 33 33 A E E - d 0 58A 0 50,-1.5 26,-0.1 -2,-0.3 24,-0.0 -0.993 8.2-178.9-136.6 139.5 40.6 85.5 63.9 34 34 A F + 0 0 53 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.194 64.1 84.9-132.0 41.6 36.9 84.4 63.9 35 35 A Y S S+ 0 0 18 23,-0.1 135,-0.4 135,-0.1 136,-0.1 0.606 75.1 64.8-115.5 -19.4 36.5 83.4 67.5 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.721 118.8 -6.5 -77.4 -20.8 35.7 86.7 69.3 37 37 A S - 0 0 5 49,-0.0 2,-0.5 -4,-0.0 -1,-0.1 -0.966 69.7-108.0-161.6 173.4 32.4 87.1 67.3 38 38 A L - 0 0 32 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.960 10.5-161.8-120.4 125.3 30.3 85.7 64.6 39 39 A M > - 0 0 13 -2,-0.5 3,-1.0 1,-0.1 -28,-0.2 -0.836 14.7-175.6-101.5 92.7 29.7 87.3 61.1 40 40 A A T 3 S+ 0 0 39 -2,-1.0 -28,-0.1 -30,-0.3 -1,-0.1 0.562 70.1 58.7 -69.0 -11.8 26.5 85.5 60.1 41 41 A G T 3 S+ 0 0 15 -30,-1.9 -28,-0.3 -31,-0.1 2,-0.3 0.198 104.9 34.1-107.3 18.7 26.2 86.9 56.6 42 42 A T < - 0 0 20 -3,-1.0 2,-0.3 -31,-0.3 -3,-0.1 -0.879 62.5-132.9-153.1-175.9 29.5 85.9 55.0 43 43 A T > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.948 34.2-105.5-143.5 161.8 32.2 83.3 54.7 44 44 A L H > S+ 0 0 68 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.895 120.7 56.0 -54.4 -42.3 36.0 83.2 54.7 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 107.9 45.9 -58.3 -45.0 35.8 82.6 51.0 46 46 A R H > S+ 0 0 139 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.880 113.7 48.9 -67.0 -38.4 33.8 85.7 50.3 47 47 A I H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.946 112.1 49.2 -65.7 -46.9 36.1 87.8 52.5 48 48 A Q H X>S+ 0 0 53 -4,-3.1 4,-1.7 1,-0.2 5,-1.2 0.912 110.8 50.2 -58.0 -44.7 39.2 86.4 50.8 49 49 A K H <5S+ 0 0 184 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.937 109.0 52.8 -59.6 -46.9 37.7 87.1 47.4 50 50 A L H <5S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 118.1 34.1 -57.9 -43.7 36.8 90.7 48.4 51 51 A I H <5S- 0 0 5 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.609 101.5-132.4 -90.1 -11.3 40.4 91.6 49.6 52 52 A G T <5 + 0 0 58 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.839 68.0 108.4 65.5 34.8 42.1 89.4 46.9 53 53 A K S - 0 0 39 -2,-0.3 4,-1.9 -26,-0.1 5,-0.2 -0.418 33.4-101.0 -90.0 171.3 42.9 80.2 66.8 60 60 A R H > S+ 0 0 101 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.896 126.1 47.7 -59.5 -40.8 42.4 81.9 70.2 61 61 A E H >>S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 5,-1.2 0.874 105.7 58.5 -68.8 -36.7 45.5 80.1 71.5 62 62 A D H >5S+ 0 0 51 3,-0.2 4,-0.7 2,-0.2 7,-0.2 0.915 117.2 34.2 -56.8 -43.8 47.5 81.1 68.4 63 63 A V H X5S+ 0 0 2 -4,-1.9 4,-1.8 3,-0.2 5,-0.2 0.984 122.9 40.3 -76.1 -63.6 46.8 84.7 69.2 64 64 A E H <5S+ 0 0 81 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.864 131.4 27.7 -56.6 -38.4 46.8 84.8 73.0 65 65 A L H <5S+ 0 0 100 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.890 136.8 17.8 -91.7 -46.3 49.8 82.5 73.3 66 66 A N H >XS+ 0 0 0 -4,-1.8 4,-2.3 1,-0.3 5,-1.6 0.902 83.9 50.0 -55.8 -41.5 50.8 86.2 68.4 68 68 A E H 345S+ 0 0 76 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.567 114.7 45.1 -74.1 -7.8 54.5 87.4 68.6 69 69 A N H <45S+ 0 0 105 -3,-1.6 -2,-0.2 -7,-0.2 -1,-0.2 0.671 122.9 31.5-105.9 -23.5 55.7 84.1 67.1 70 70 A I H <5S+ 0 0 27 -4,-2.1 4,-0.2 -8,-0.2 -3,-0.2 0.795 132.6 18.4-103.5 -38.8 53.2 83.8 64.3 71 71 A V T X5S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.4 3,-0.5 0.865 114.5 57.5-103.2 -48.6 52.3 87.3 63.2 72 72 A L H >4 S+ 0 0 61 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.926 109.5 42.3 -54.6 -44.0 58.0 88.2 62.8 74 74 A L H >> S+ 0 0 53 -3,-0.5 4,-1.4 1,-0.2 3,-1.2 0.830 107.4 61.6 -70.1 -32.2 56.4 88.7 59.3 75 75 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 32,-0.2 0.534 92.0 68.5 -72.7 -5.1 55.3 92.2 60.3 76 76 A K T << S+ 0 0 96 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.693 116.2 21.1 -85.7 -19.6 58.9 93.2 60.8 77 77 A E T <4 S+ 0 0 140 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.2 0.425 127.3 34.9-125.2 -5.8 59.8 93.0 57.1 78 78 A N S < S- 0 0 44 -4,-1.4 -76,-1.1 -76,-0.0 2,-0.7 -0.851 85.6 -91.5-142.1 175.9 56.4 93.3 55.5 79 79 A D E -a 2 0A 52 -2,-0.3 -51,-1.9 -78,-0.2 -50,-1.6 -0.859 50.6-174.4 -92.7 114.0 53.0 95.0 55.7 80 80 A V E -ac 3 29A 0 -78,-3.2 -76,-2.9 -2,-0.7 2,-0.4 -0.903 12.4-155.8-116.6 143.7 50.8 92.6 57.6 81 81 A A E -ac 4 30A 0 -52,-2.5 -50,-3.8 -2,-0.4 2,-0.5 -0.928 5.1-163.9-119.0 141.8 47.1 92.8 58.4 82 82 A F E -ac 5 31A 0 -78,-3.3 -76,-2.5 -2,-0.4 2,-0.3 -0.970 17.6-163.0-124.4 110.0 45.2 91.2 61.2 83 83 A L E +ac 6 32A 0 -52,-3.0 -50,-1.5 -2,-0.5 -76,-0.2 -0.666 10.9 176.2 -96.0 149.9 41.4 91.1 60.6 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.8 -2,-0.3 -75,-0.4 -0.984 36.7 -95.1-148.4 154.9 38.7 90.5 63.1 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.344 94.0 -9.4 -66.0 155.7 34.8 90.5 63.2 86 86 A G B S-E 9 0B 1 -77,-3.1 -77,-1.5 447,-0.3 -78,-0.4 -0.223 129.0 -16.3 56.0-141.4 33.3 93.9 64.2 87 87 A D > - 0 0 0 -80,-0.2 3,-1.4 -79,-0.1 25,-0.1 -0.860 66.7-132.5 -96.7 130.3 35.8 96.4 65.6 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.693 100.7 40.9 -55.9 -22.7 39.1 94.8 66.5 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 4,-0.1 3,-0.4 0.391 89.8 99.1-109.6 5.0 39.4 96.5 70.0 90 90 A V S < S- 0 0 0 -3,-1.4 -3,-0.1 1,-0.2 26,-0.1 -0.826 102.0 -11.3 -98.6 119.8 35.8 96.3 71.2 91 91 A A S S+ 0 0 39 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.819 118.6 92.0 64.0 30.5 35.0 93.5 73.7 92 92 A T S S- 0 0 21 -3,-0.4 -1,-0.3 441,-0.0 3,-0.2 -0.839 79.5-125.2-136.3 174.3 38.3 91.8 73.0 93 93 A T S > S+ 0 0 81 -2,-0.3 3,-0.6 1,-0.1 4,-0.4 -0.007 76.0 112.9-109.5 29.0 41.7 91.8 74.5 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.3 1,-0.2 4,-0.7 0.751 59.7 74.7 -72.8 -22.7 43.4 92.7 71.2 95 95 A A H >> S+ 0 0 13 1,-0.3 3,-1.8 -3,-0.2 4,-0.6 0.925 90.6 59.8 -54.1 -39.0 44.4 96.1 72.4 96 96 A E H X> S+ 0 0 45 -3,-0.6 4,-1.3 1,-0.3 3,-0.9 0.795 92.4 66.6 -58.6 -30.0 47.1 94.3 74.4 97 97 A L H <> S+ 0 0 2 -3,-1.3 4,-2.0 -4,-0.4 -1,-0.3 0.743 91.1 62.4 -64.3 -25.8 48.5 92.9 71.1 98 98 A R H S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 3,-0.5 0.960 109.1 46.9 -60.0 -51.6 53.7 94.9 68.5 102 102 A K H ><5S+ 0 0 97 -4,-2.3 3,-2.9 1,-0.2 -2,-0.2 0.948 110.7 49.5 -55.8 -53.8 55.6 97.9 70.0 103 103 A R H 3<5S+ 0 0 156 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.743 107.4 57.7 -62.5 -20.3 58.0 95.9 72.1 104 104 A A T 3<5S- 0 0 28 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.405 120.0-112.4 -86.4 1.6 58.7 93.9 69.0 105 105 A G T < 5S+ 0 0 63 -3,-2.9 2,-0.4 1,-0.3 -3,-0.2 0.694 74.0 136.5 78.4 15.5 59.7 97.1 67.2 106 106 A V < - 0 0 4 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.841 52.1-133.4-104.4 133.9 56.7 96.9 64.9 107 107 A E E -b 2 0A 116 -106,-1.0 -104,-3.1 -2,-0.4 2,-0.3 -0.613 26.2-167.4 -79.7 138.5 54.5 99.8 64.0 108 108 A S E -b 3 0A 14 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.965 9.3-170.8-130.8 148.1 50.7 99.1 64.3 109 109 A Y E -b 4 0A 61 -106,-2.2 -104,-3.1 -2,-0.3 2,-0.5 -0.964 15.9-135.6-134.1 150.5 47.7 101.0 63.1 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.933 11.0-168.6-116.1 126.8 44.0 100.5 63.8 111 111 A I E -b 6 0A 3 -106,-3.5 -104,-2.4 -2,-0.5 -94,-0.1 -0.956 21.2-145.1-112.3 116.5 41.2 100.6 61.2 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.219 17.1-176.1 -76.8 166.5 37.7 100.6 62.8 113 113 A A - 0 0 0 -97,-0.1 268,-0.2 266,-0.1 266,-0.1 -0.962 45.3 -61.4-154.7 161.6 34.5 99.0 61.6 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.212 58.4-161.8 -51.2 137.0 30.9 98.9 62.7 115 115 A S >> - 0 0 0 264,-0.3 4,-2.8 -29,-0.2 3,-0.9 -0.913 30.6-125.3-125.2 150.2 30.7 97.3 66.2 116 116 A I H 3> S+ 0 0 0 417,-2.7 4,-1.2 -2,-0.3 -1,-0.1 0.861 110.8 65.1 -60.3 -34.1 27.8 95.8 68.1 117 117 A Y H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.856 113.9 31.3 -56.1 -36.1 28.6 98.2 71.0 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-1.7 1,-0.1 -2,-0.2 0.814 109.3 66.5 -91.5 -35.5 27.6 101.1 68.6 119 119 A A H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.660 76.9 86.6 -62.8 -15.6 24.9 99.3 66.6 120 120 A V G ><> + 0 0 2 -4,-1.2 3,-1.8 1,-0.3 5,-0.5 0.640 68.8 82.4 -60.3 -11.0 22.8 99.0 69.7 121 121 A G G X 5S+ 0 0 1 -3,-1.7 3,-1.8 1,-0.3 -1,-0.3 0.778 74.9 71.0 -64.2 -23.7 21.6 102.5 68.7 122 122 A I G < 5S+ 0 0 5 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.596 84.4 69.3 -69.8 -10.0 19.2 100.7 66.3 123 123 A T G < 5S- 0 0 0 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.561 110.3-119.7 -81.2 -10.1 17.2 99.6 69.4 124 124 A G T < 5S+ 0 0 4 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.436 72.0 132.1 87.4 -3.9 16.1 103.1 70.0 125 125 A L S - 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