==== 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 29-MAR-07 2PCI . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YAMAMOTO,Y.MATSUURA,Y.MORIKAWA,T.NAKAMOTO,N.KUNISHIMA,RIKE . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 71.8 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 . 50 9.4 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 . 38 7.2 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 . 132 24.9 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 1 1 0 3 2 1 3 2 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 0 4 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 0 106 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 76.8 57.2 7.4 44.9 2 2 A V E -ab 79 107A 12 76,-1.1 78,-3.0 104,-0.1 2,-0.5 -0.980 360.0-132.0-151.5 159.1 53.9 6.7 43.2 3 3 A L E -ab 80 108A 0 104,-2.5 106,-2.4 -2,-0.3 2,-0.6 -0.964 15.0-158.9-121.8 124.5 50.9 8.4 41.7 4 4 A Y E -ab 81 109A 40 76,-3.0 78,-3.3 -2,-0.5 2,-0.8 -0.887 6.2-156.6-102.2 117.6 47.3 7.5 42.6 5 5 A F E -ab 82 110A 0 104,-2.9 106,-3.7 -2,-0.6 2,-0.5 -0.846 26.0-176.6 -81.3 111.1 44.5 8.5 40.2 6 6 A I E -ab 83 111A 0 76,-2.5 78,-1.7 -2,-0.8 2,-0.2 -0.945 19.3-143.9-121.9 123.0 41.5 8.5 42.6 7 7 A G E -a 84 0A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.551 1.7-159.0 -78.6 143.3 37.9 9.1 41.7 8 8 A L - 0 0 3 76,-2.8 7,-0.4 78,-0.3 3,-0.2 0.486 40.5-124.8 -99.4 -8.3 35.7 11.0 44.1 9 9 A G B -E 86 0B 1 77,-1.6 77,-3.4 75,-0.4 -1,-0.3 -0.414 32.2 -54.7 98.0-172.7 32.3 9.8 42.8 10 10 A L S S- 0 0 2 75,-0.2 30,-0.4 5,-0.2 -1,-0.2 0.878 110.2 -2.0 -82.1 -45.6 29.1 11.4 41.6 11 11 A Y S S+ 0 0 52 1,-0.3 30,-2.1 28,-0.2 31,-0.3 0.786 113.0 8.0-123.6 -59.1 27.6 13.8 44.1 12 12 A D S > S- 0 0 18 29,-0.2 3,-2.2 198,-0.1 -1,-0.3 -0.751 80.2 -84.3-129.8-179.5 29.4 14.3 47.4 13 13 A E G > S+ 0 0 41 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.727 119.0 64.2 -57.9 -23.4 32.5 13.5 49.4 14 14 A R G 3 S+ 0 0 61 1,-0.2 271,-2.8 270,-0.1 270,-0.3 0.445 81.2 80.7 -82.6 2.1 31.1 10.1 50.5 15 15 A D G < + 0 0 4 -3,-2.2 -1,-0.2 -7,-0.4 -5,-0.2 0.465 68.2 102.6 -85.8 -0.1 31.0 8.9 46.9 16 16 A I S < S- 0 0 2 -3,-1.0 268,-2.3 -4,-0.1 269,-0.3 -0.475 83.3-108.6 -75.0 151.5 34.7 8.0 47.0 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.483 21.4-116.2 -80.0 158.9 35.3 4.3 47.5 18 18 A V H > S+ 0 0 11 264,-2.6 4,-2.6 262,-0.4 5,-0.3 0.906 119.7 55.3 -58.5 -39.9 36.6 3.1 50.9 19 19 A K H > S+ 0 0 16 261,-2.6 4,-1.9 263,-0.3 5,-0.2 0.942 108.5 47.3 -56.8 -49.2 39.7 2.0 49.0 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.6 92,-0.2 -2,-0.2 0.908 111.8 49.7 -60.5 -45.1 40.2 5.5 47.6 21 21 A L H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.946 111.1 47.2 -61.0 -51.4 39.7 7.2 51.0 22 22 A E H X S+ 0 0 72 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.863 114.9 46.6 -61.8 -36.1 42.2 5.0 52.9 23 23 A I H >< S+ 0 0 24 -4,-1.9 3,-1.1 -5,-0.3 4,-0.4 0.925 110.5 52.6 -71.2 -43.8 44.9 5.4 50.2 24 24 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.876 104.1 57.8 -58.4 -37.5 44.3 9.2 50.0 25 25 A K H 3< S+ 0 0 83 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.749 105.8 50.5 -64.8 -23.9 44.8 9.4 53.7 26 26 A K T << S+ 0 0 158 -3,-1.1 -1,-0.3 -4,-0.6 2,-0.2 0.394 88.2 107.3 -95.3 1.2 48.2 7.8 53.4 27 27 A C < - 0 0 1 -3,-1.3 53,-0.2 -4,-0.4 3,-0.1 -0.559 62.4-144.9 -85.3 147.0 49.5 10.2 50.6 28 28 A D S S+ 0 0 89 51,-2.2 2,-0.3 -2,-0.2 52,-0.2 0.837 88.0 20.7 -75.4 -35.4 52.1 12.9 51.2 29 29 A Y E -c 80 0A 72 50,-1.3 52,-2.1 24,-0.1 2,-0.5 -0.987 67.5-159.6-135.7 143.5 50.6 15.3 48.7 30 30 A V E +cd 81 55A 3 24,-0.5 26,-2.7 -2,-0.3 2,-0.2 -0.963 11.9 178.8-130.9 115.2 47.0 15.5 47.3 31 31 A F E +cd 82 56A 5 50,-3.4 52,-2.9 -2,-0.5 2,-0.3 -0.677 5.8 178.2-106.4 165.2 46.2 17.3 44.1 32 32 A A E -cd 83 57A 0 24,-2.0 26,-3.2 50,-0.3 2,-0.4 -0.985 19.8-148.6-160.8 162.6 42.8 17.6 42.5 33 33 A E E - d 0 58A 0 50,-1.5 26,-0.1 -2,-0.3 24,-0.0 -0.991 6.6-175.7-136.9 141.0 40.9 19.1 39.5 34 34 A F + 0 0 55 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.219 64.2 86.8-130.6 43.2 37.3 20.1 39.5 35 35 A Y S S+ 0 0 13 23,-0.1 135,-0.4 135,-0.1 3,-0.1 0.595 74.4 65.9-114.5 -17.4 36.8 21.2 35.9 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.685 118.1 -9.6 -79.1 -17.7 35.8 17.8 34.3 37 37 A S - 0 0 5 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.973 69.6-104.5-166.1 174.2 32.6 17.6 36.2 38 38 A L - 0 0 33 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.959 11.6-159.2-119.0 127.4 30.5 19.1 39.0 39 39 A M > - 0 0 14 -2,-0.5 3,-1.1 1,-0.1 -28,-0.2 -0.835 15.8-176.8-102.3 91.4 30.0 17.5 42.4 40 40 A A T 3 S+ 0 0 37 -2,-1.0 -1,-0.1 -30,-0.4 -28,-0.1 0.589 70.6 56.5 -67.4 -14.4 26.8 19.3 43.4 41 41 A G T 3 S+ 0 0 15 -30,-2.1 2,-0.3 -31,-0.1 -1,-0.2 0.279 105.1 35.8-106.4 13.9 26.6 17.9 46.9 42 42 A T < - 0 0 21 -3,-1.1 2,-0.3 -31,-0.3 -3,-0.1 -0.871 62.3-130.2-149.7-177.6 29.9 18.8 48.6 43 43 A T > - 0 0 68 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.912 33.2-108.9-136.1 162.6 32.7 21.4 48.9 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.887 120.2 56.1 -59.0 -37.4 36.5 21.3 48.8 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 106.2 48.4 -62.4 -40.7 36.5 21.9 52.5 46 46 A R H > S+ 0 0 139 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.867 112.4 48.4 -68.6 -37.2 34.3 18.8 53.2 47 47 A I H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.940 111.9 49.6 -67.7 -45.3 36.5 16.6 51.0 48 48 A Q H X>S+ 0 0 57 -4,-2.8 4,-2.3 1,-0.2 5,-1.1 0.899 110.6 50.5 -59.1 -41.1 39.6 17.9 52.7 49 49 A K H <5S+ 0 0 184 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.919 110.7 49.1 -63.2 -43.8 38.1 17.2 56.1 50 50 A L H <5S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.922 119.0 37.2 -62.3 -46.2 37.2 13.7 55.1 51 51 A I H <5S- 0 0 5 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.739 100.5-135.6 -78.6 -24.2 40.7 12.9 53.7 52 52 A G T <5 + 0 0 62 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.799 68.1 106.9 72.5 28.5 42.4 14.9 56.5 53 53 A K S - 0 0 36 -2,-0.3 4,-2.1 -26,-0.1 5,-0.2 -0.395 35.1-100.2 -86.3 171.1 43.2 24.3 36.6 60 60 A R H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.926 126.8 48.6 -58.1 -43.8 42.8 22.6 33.2 61 61 A E H >>S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 5,-1.2 0.906 105.9 56.8 -64.4 -40.4 45.9 24.4 32.0 62 62 A D H >5S+ 0 0 53 3,-0.2 4,-0.8 2,-0.2 7,-0.2 0.922 118.1 34.9 -54.9 -44.4 47.9 23.3 35.1 63 63 A V H X5S+ 0 0 2 -4,-2.1 4,-1.8 3,-0.2 5,-0.2 0.988 122.7 39.3 -74.4 -64.0 47.0 19.7 34.2 64 64 A E H <5S+ 0 0 76 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.879 131.3 28.3 -56.9 -40.6 47.0 19.6 30.4 65 65 A L H <5S+ 0 0 98 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.2 0.881 136.5 18.8 -89.9 -42.7 50.0 21.9 30.0 66 66 A N H >XS+ 0 0 0 -4,-1.8 4,-2.0 1,-0.3 5,-1.6 0.917 84.9 50.1 -55.6 -43.4 51.1 18.1 34.9 68 68 A E H 345S+ 0 0 73 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.572 113.6 45.9 -72.7 -8.3 54.6 16.8 34.5 69 69 A N H <45S+ 0 0 102 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.584 124.4 29.0-106.9 -16.6 56.0 20.0 36.0 70 70 A I H <5S+ 0 0 53 -4,-1.6 4,-0.3 -3,-0.4 -3,-0.2 0.805 131.8 20.3-109.3 -50.8 53.7 20.3 39.0 71 71 A V T >X5S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 3,-0.7 0.924 116.5 54.5 -90.4 -52.1 52.6 16.8 40.0 72 72 A L H 3>4 S+ 0 0 56 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.911 109.3 44.3 -57.5 -38.7 58.2 15.9 40.2 74 74 A L H X> S+ 0 0 42 -3,-0.7 4,-1.3 -4,-0.3 3,-1.1 0.823 106.0 60.3 -72.7 -33.3 56.7 15.3 43.7 75 75 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 32,-0.2 0.603 92.9 68.3 -71.1 -12.1 55.6 11.7 42.9 76 76 A K T << S+ 0 0 87 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.760 118.0 20.0 -77.8 -24.1 59.2 10.8 42.2 77 77 A E T <4 S+ 0 0 163 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.2 0.403 128.7 36.8-123.5 -1.8 60.0 11.3 45.9 78 78 A N S < S- 0 0 38 -4,-1.3 -76,-1.1 -76,-0.1 2,-0.7 -0.908 84.4 -97.5-144.4 169.7 56.6 11.0 47.6 79 79 A D E -a 2 0A 55 -2,-0.3 -51,-2.2 -78,-0.2 -50,-1.3 -0.851 50.2-171.6 -92.5 116.6 53.3 9.2 47.4 80 80 A V E -ac 3 29A 0 -78,-3.0 -76,-3.0 -2,-0.7 2,-0.4 -0.873 14.7-156.6-116.2 146.4 51.0 11.5 45.6 81 81 A A E -ac 4 30A 0 -52,-2.1 -50,-3.4 -2,-0.4 2,-0.5 -0.927 2.8-163.0-119.6 143.7 47.3 11.4 44.9 82 82 A F E -ac 5 31A 0 -78,-3.3 -76,-2.5 -2,-0.4 2,-0.3 -0.963 17.3-161.2-126.0 109.3 45.3 13.2 42.0 83 83 A L E +ac 6 32A 0 -52,-2.9 -50,-1.5 -2,-0.5 -76,-0.2 -0.663 12.8 173.6 -95.2 148.7 41.6 13.4 42.7 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.8 -2,-0.3 -75,-0.4 -0.978 37.5 -93.9-148.3 154.9 38.9 14.0 40.2 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.297 92.8 -11.9 -65.8 158.1 35.0 14.0 40.2 86 86 A G B S-E 9 0B 0 -77,-3.4 -77,-1.6 -79,-0.1 -78,-0.3 -0.203 129.8 -14.5 51.4-136.0 33.4 10.7 39.2 87 87 A D > - 0 0 0 446,-2.4 3,-1.3 -80,-0.2 25,-0.1 -0.865 67.0-133.5 -98.5 133.2 35.8 8.2 37.7 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.742 100.7 40.8 -58.1 -27.5 39.1 9.8 36.7 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 3,-0.3 0.291 89.8 100.7-108.0 10.3 39.4 8.1 33.2 90 90 A V S < S- 0 0 0 -3,-1.3 -3,-0.1 443,-0.2 26,-0.1 -0.866 102.9 -15.2-102.2 117.0 35.7 8.4 32.1 91 91 A A S S+ 0 0 10 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.883 118.9 92.8 61.2 39.0 35.0 11.3 29.7 92 92 A T S S- 0 0 23 -3,-0.3 -1,-0.3 441,-0.1 301,-0.2 -0.830 79.3-125.5-142.9 178.2 38.3 13.0 30.5 93 93 A T S > S+ 0 0 81 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 -0.010 74.9 114.5-119.0 26.0 41.7 12.8 28.8 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.1 1,-0.2 4,-0.6 0.671 57.9 77.3 -70.6 -17.7 43.5 11.9 32.1 95 95 A A H >> S+ 0 0 16 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.885 88.2 59.6 -58.9 -36.8 44.4 8.5 30.7 96 96 A E H X> S+ 0 0 50 -3,-0.9 4,-1.4 1,-0.3 3,-0.8 0.772 92.9 66.5 -62.8 -25.2 47.1 10.3 28.7 97 97 A L H <> S+ 0 0 3 -3,-1.1 4,-2.2 -4,-0.3 -1,-0.3 0.755 90.8 62.9 -68.3 -23.6 48.6 11.5 32.0 98 98 A R H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 3,-0.8 0.954 110.3 48.5 -60.6 -50.9 53.8 9.3 34.5 102 102 A K H ><5S+ 0 0 98 -4,-2.2 3,-2.3 1,-0.3 -2,-0.2 0.945 111.2 49.4 -55.2 -51.3 55.3 6.2 33.0 103 103 A R H 3<5S+ 0 0 152 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.687 107.6 55.7 -63.7 -17.6 57.8 8.2 30.9 104 104 A A T <<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.352 120.6-110.9 -93.7 4.0 58.8 10.1 34.0 105 105 A G T < 5S+ 0 0 49 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.765 74.8 136.6 72.9 25.9 59.6 6.8 35.7 106 106 A V < - 0 0 3 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.923 50.4-137.2-111.1 120.5 56.7 7.2 38.1 107 107 A E E -b 2 0A 109 -106,-0.6 -104,-2.5 -2,-0.5 2,-0.3 -0.498 25.3-166.3 -71.5 141.4 54.4 4.2 38.8 108 108 A S E -b 3 0A 15 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.948 10.7-167.1-131.3 152.6 50.7 5.0 38.8 109 109 A Y E -b 4 0A 56 -106,-2.4 -104,-2.9 -2,-0.3 2,-0.5 -0.971 15.5-134.7-136.3 150.7 47.6 3.2 40.0 110 110 A V E -b 5 0A 6 -2,-0.3 2,-0.6 367,-0.2 -104,-0.2 -0.925 10.5-167.1-113.6 128.5 44.0 3.9 39.4 111 111 A I E -b 6 0A 2 -106,-3.7 -104,-2.4 -2,-0.5 -94,-0.1 -0.946 21.9-145.5-113.7 110.6 41.3 3.8 42.0 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.131 17.4-176.2 -71.3 166.9 37.8 3.9 40.5 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.959 44.9 -61.5-154.6 163.9 34.6 5.5 41.8 114 114 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.260 57.1-161.6 -55.0 139.2 31.0 5.7 40.7 115 115 A S >> - 0 0 0 264,-0.3 4,-2.5 -29,-0.2 3,-1.3 -0.921 30.6-125.6-124.8 148.8 30.7 7.3 37.2 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.3 -1,-0.1 0.844 107.4 71.4 -61.5 -28.2 27.8 8.9 35.4 117 117 A Y H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.818 113.3 23.5 -57.8 -33.3 28.6 6.5 32.6 118 118 A S H X4 S+ 0 0 0 -3,-1.3 3,-1.9 2,-0.1 -1,-0.2 0.685 110.4 72.8-104.6 -23.9 27.3 3.5 34.6 119 119 A A H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.714 76.9 82.0 -62.7 -19.7 25.0 5.4 37.0 120 120 A V G ><> + 0 0 2 -4,-1.2 3,-2.6 1,-0.3 5,-0.5 0.686 68.3 84.7 -60.1 -14.6 22.6 5.8 34.0 121 121 A G G X 5S+ 0 0 1 -3,-1.9 3,-1.9 1,-0.3 -1,-0.3 0.773 73.7 72.7 -58.3 -22.7 21.4 2.3 34.8 122 122 A I G < 5S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.577 83.0 69.2 -69.1 -7.5 19.2 4.1 37.3 123 123 A T G < 5S- 0 0 0 -3,-2.6 -1,-0.3 2,-0.2 -2,-0.2 0.582 110.6-120.6 -84.5 -10.9 17.1 5.3 34.3 124 124 A G T < 5S+ 0 0 4 -3,-1.9 2,-0.3 1,-0.3 125,-0.2 0.366 70.4 133.8 87.5 -6.5 16.0 1.7 33.7 125 125 A L < - 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