==== 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 16-MAR-07 2EJK . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (R . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 69.7 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 . 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.8 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 . 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 6 0 1 0 4 3 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 5 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 0 137 0, 0.0 78,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.8 55.4 98.3 54.4 2 2 A V E -a 79 0A 9 76,-2.0 78,-3.3 72,-0.1 2,-0.4 -0.943 360.0-116.5 178.2 161.4 52.6 98.4 56.9 3 3 A L E -ab 80 108A 0 104,-2.5 106,-2.3 -2,-0.3 2,-0.4 -0.968 24.2-162.2-118.1 129.1 49.8 96.4 58.6 4 4 A Y E -ab 81 109A 34 76,-2.8 78,-3.3 -2,-0.4 2,-0.7 -0.928 10.3-154.4-113.0 131.7 46.1 97.4 58.2 5 5 A F E -ab 82 110A 0 104,-2.9 106,-3.4 -2,-0.4 2,-0.5 -0.927 25.3-175.7-100.3 116.6 43.3 96.2 60.5 6 6 A I E -ab 83 111A 0 76,-2.5 78,-1.8 -2,-0.7 2,-0.2 -0.965 17.6-142.4-123.2 125.3 40.2 96.4 58.3 7 7 A G E -a 84 0A 0 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.531 2.4-158.9 -80.7 148.1 36.6 95.7 59.4 8 8 A L - 0 0 3 76,-2.5 7,-0.4 78,-0.5 3,-0.2 0.507 39.3-127.4-103.5 -7.6 34.3 94.0 57.1 9 9 A G B -E 86 0B 1 77,-1.5 77,-4.0 75,-0.3 -1,-0.3 -0.426 34.2 -51.6 97.1-171.2 31.0 95.1 58.7 10 10 A L S S- 0 0 2 75,-0.2 30,-0.3 5,-0.2 -1,-0.1 0.891 110.5 -5.7 -78.6 -48.5 27.9 93.4 60.0 11 11 A Y S S+ 0 0 48 1,-0.3 30,-2.0 28,-0.2 31,-0.5 0.796 111.5 16.1-121.7 -54.9 26.4 91.1 57.4 12 12 A D S > S- 0 0 18 29,-0.2 3,-2.2 28,-0.1 -1,-0.3 -0.710 78.8 -90.0-124.8 177.2 27.9 90.9 53.8 13 13 A E G > S+ 0 0 39 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.711 118.8 63.8 -58.5 -21.3 30.9 91.8 51.8 14 14 A R G 3 S+ 0 0 64 1,-0.2 271,-2.8 270,-0.1 272,-0.3 0.429 81.4 80.1 -85.6 4.3 29.4 95.2 50.9 15 15 A D G < + 0 0 6 -3,-2.2 -1,-0.2 -7,-0.4 2,-0.2 0.417 69.0 102.2 -88.8 1.4 29.5 96.3 54.6 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.4 97,-0.1 269,-0.3 -0.544 83.6-107.0 -78.4 149.6 33.2 97.1 54.3 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.1 95,-0.4 266,-0.3 -0.466 20.9-117.2 -78.1 155.0 33.8 100.9 54.0 18 18 A V H > S+ 0 0 13 264,-2.8 4,-2.5 262,-0.3 5,-0.2 0.882 118.7 55.2 -56.5 -36.7 34.9 102.3 50.6 19 19 A K H > S+ 0 0 3 261,-2.5 4,-2.1 263,-0.3 5,-0.2 0.971 107.1 48.1 -59.6 -54.0 38.1 103.3 52.4 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.0 92,-0.2 -1,-0.2 0.820 112.1 51.0 -57.0 -33.2 38.7 99.7 53.6 21 21 A L H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.953 108.4 48.0 -71.3 -50.7 38.1 98.4 50.1 22 22 A E H X S+ 0 0 74 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.859 116.5 45.8 -59.3 -34.4 40.4 100.7 48.2 23 23 A I H < S+ 0 0 18 -4,-2.1 4,-0.5 -5,-0.2 3,-0.4 0.885 110.8 51.6 -76.1 -39.0 43.2 99.9 50.7 24 24 A A H >< S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.2 -2,-0.2 0.928 104.4 57.6 -62.5 -45.6 42.6 96.2 50.7 25 25 A K H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.778 107.9 48.3 -55.0 -30.2 42.8 96.0 46.9 26 26 A K T 3< S+ 0 0 160 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.477 87.5 105.8 -93.1 -3.5 46.3 97.5 47.0 27 27 A C < - 0 0 0 -3,-1.6 53,-0.2 -4,-0.5 3,-0.1 -0.442 63.5-143.3 -77.0 152.0 47.7 95.3 49.7 28 28 A D S S+ 0 0 87 51,-2.3 2,-0.4 1,-0.2 52,-0.2 0.845 86.9 25.2 -81.5 -36.9 50.2 92.5 48.7 29 29 A Y E -c 80 0A 109 50,-1.4 52,-2.2 24,-0.1 2,-0.4 -0.982 67.4-163.7-131.2 141.2 48.9 90.0 51.3 30 30 A V E +cd 81 55A 6 24,-0.6 26,-2.1 -2,-0.4 2,-0.3 -0.977 9.4 177.4-130.8 122.0 45.5 89.7 52.9 31 31 A F E -cd 82 56A 12 50,-3.3 52,-3.1 -2,-0.4 2,-0.3 -0.760 5.3-180.0-114.4 164.1 44.7 87.7 56.0 32 32 A A E -cd 83 57A 0 24,-1.8 26,-3.0 -2,-0.3 2,-0.4 -0.991 18.0-148.9-160.6 158.3 41.4 87.4 57.8 33 33 A E E - d 0 58A 0 50,-1.9 26,-0.1 -2,-0.3 4,-0.1 -0.980 7.6-177.2-131.4 143.9 39.7 85.7 60.8 34 34 A F + 0 0 55 24,-0.6 5,-0.1 -2,-0.4 50,-0.1 -0.091 64.4 84.6-133.0 37.4 36.1 84.6 61.1 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.4 3,-0.1 3,-0.1 0.662 77.3 62.8-110.2 -24.8 35.9 83.3 64.6 36 36 A T S S- 0 0 18 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.816 123.5 -11.1 -71.1 -29.0 35.2 86.5 66.6 37 37 A S S S- 0 0 1 496,-0.1 2,-0.4 -4,-0.1 -1,-0.1 -0.943 70.8-112.5-157.5 177.6 32.0 87.0 64.8 38 38 A M - 0 0 25 -2,-0.3 2,-0.8 -28,-0.1 -3,-0.1 -0.970 4.7-155.0-129.8 137.6 29.9 85.7 61.8 39 39 A M > - 0 0 19 -2,-0.4 3,-0.8 1,-0.1 -28,-0.2 -0.876 13.6-178.0-109.7 99.5 28.8 87.3 58.5 40 40 A A T 3 S+ 0 0 42 -2,-0.8 -28,-0.1 -30,-0.3 -1,-0.1 0.439 72.5 59.4 -77.1 -1.9 25.7 85.4 57.5 41 41 A G T 3 S+ 0 0 20 -30,-2.0 -1,-0.2 -31,-0.1 -29,-0.2 0.479 104.3 33.6-109.2 -0.2 25.2 87.2 54.2 42 42 A T < - 0 0 19 -3,-0.8 2,-0.3 -31,-0.5 3,-0.1 -0.647 64.9-131.5-136.0-168.7 28.4 86.5 52.2 43 43 A T > - 0 0 72 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.949 33.8-105.9-145.3 160.8 31.1 83.9 51.6 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.911 121.8 56.4 -55.4 -40.5 34.9 83.9 51.6 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 105.9 47.8 -58.2 -44.0 34.6 83.7 47.8 46 46 A R H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.844 112.7 49.5 -68.2 -32.4 32.4 86.8 47.5 47 47 A I H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.949 111.6 48.1 -70.8 -47.4 34.8 88.7 49.8 48 48 A Q H X>S+ 0 0 55 -4,-3.0 4,-2.5 1,-0.2 5,-1.1 0.903 111.0 52.2 -58.2 -42.4 37.9 87.6 47.7 49 49 A K H <5S+ 0 0 184 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.954 111.2 45.1 -59.2 -52.2 36.1 88.5 44.5 50 50 A L H <5S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.900 120.9 39.3 -59.2 -43.6 35.2 92.0 45.7 51 51 A I H <5S- 0 0 4 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.725 100.5-138.2 -80.2 -23.0 38.7 92.6 47.1 52 52 A G T <5 + 0 0 55 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.861 65.6 95.9 68.1 37.9 40.4 90.8 44.2 53 53 A K S - 0 0 39 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.403 35.4 -98.4 -89.4 171.1 42.1 80.3 63.3 60 60 A R H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.916 126.4 48.8 -57.2 -43.1 42.0 81.6 66.9 61 61 A E H >>S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-1.2 0.908 106.1 56.1 -64.5 -42.1 45.3 79.8 67.6 62 62 A D H >5S+ 0 0 37 3,-0.2 4,-0.9 2,-0.2 8,-0.3 0.931 119.4 33.3 -54.7 -45.4 47.0 81.2 64.5 63 63 A V H X5S+ 0 0 1 -4,-2.2 4,-1.7 3,-0.2 5,-0.2 0.993 121.8 42.9 -73.4 -67.5 46.2 84.7 65.7 64 64 A E H <5S+ 0 0 73 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.729 131.7 23.1 -54.2 -28.1 46.4 84.5 69.5 65 65 A L H <5S+ 0 0 101 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.773 136.4 23.0-110.0 -35.2 49.6 82.4 69.4 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.3 1,-0.3 5,-1.6 0.929 85.1 48.9 -61.3 -43.7 50.2 86.4 64.7 68 68 A E H 345S+ 0 0 76 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.484 115.4 45.6 -74.6 -2.6 53.7 87.7 64.9 69 69 A N H <45S+ 0 0 101 -3,-1.1 -2,-0.2 -7,-0.3 -1,-0.2 0.709 124.1 28.6-107.3 -33.1 55.0 84.5 63.1 70 70 A I H <5S+ 0 0 33 -4,-2.5 4,-0.2 -8,-0.3 -3,-0.2 0.838 134.0 20.2 -96.8 -41.2 52.4 84.3 60.3 71 71 A V T >X5S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.4 3,-1.1 0.920 115.4 54.0 -96.8 -58.2 51.4 87.9 59.7 72 72 A L H 3>4 S+ 0 0 48 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.903 105.4 43.4 -54.1 -40.7 56.9 89.0 59.2 74 74 A L H X> S+ 0 0 54 -3,-1.1 4,-2.0 -4,-0.2 3,-1.2 0.799 101.0 69.4 -73.8 -29.3 55.4 90.0 55.8 75 75 A A H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 1,-0.3 32,-0.2 0.636 91.0 63.7 -64.5 -13.0 54.3 93.4 57.1 76 76 A K T << S+ 0 0 86 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.785 117.5 23.1 -81.9 -28.3 58.0 94.3 57.2 77 77 A E T <4 S+ 0 0 148 -3,-1.2 2,-0.2 -4,-0.4 -2,-0.2 0.508 127.8 30.9-113.8 -9.5 58.5 94.0 53.5 78 78 A N S < S- 0 0 40 -4,-2.0 -76,-2.0 -76,-0.0 2,-0.7 -0.815 83.1 -92.7-141.2 179.3 55.0 94.5 52.2 79 79 A D E -a 2 0A 52 -78,-0.3 -51,-2.3 -2,-0.2 -50,-1.4 -0.891 49.8-173.3 -98.4 114.4 51.6 96.2 52.7 80 80 A V E -ac 3 29A 0 -78,-3.3 -76,-2.8 -2,-0.7 2,-0.4 -0.901 13.3-158.9-117.3 143.2 49.5 93.7 54.6 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.3 -2,-0.4 2,-0.5 -0.937 3.5-161.7-120.8 141.0 45.8 93.7 55.6 82 82 A F E -ac 5 31A 0 -78,-3.3 -76,-2.5 -2,-0.4 2,-0.3 -0.966 16.8-158.5-122.9 110.6 44.1 91.8 58.3 83 83 A L E +ac 6 32A 0 -52,-3.1 -50,-1.9 -2,-0.5 -76,-0.2 -0.680 14.7 171.9 -94.8 144.3 40.3 91.5 57.9 84 84 A T E -a 7 0A 0 -78,-1.8 -76,-2.5 -2,-0.3 -75,-0.3 -0.959 37.6 -95.0-143.6 159.2 37.7 90.9 60.6 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.305 91.2 -10.7 -69.8 162.2 33.9 90.9 60.8 86 86 A G B S-E 9 0B 1 -77,-4.0 -77,-1.5 -79,-0.1 -78,-0.5 -0.125 129.7 -12.4 47.7-138.7 32.3 94.1 62.1 87 87 A D > - 0 0 0 446,-2.1 3,-1.7 -80,-0.2 25,-0.1 -0.823 68.2-133.5 -94.5 129.3 34.7 96.5 63.6 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.788 100.9 40.0 -51.5 -35.9 38.2 95.0 64.2 89 89 A L T 3 S+ 0 0 8 5,-0.1 2,-0.5 4,-0.1 304,-0.3 0.104 91.1 104.9-105.9 23.4 38.7 96.3 67.7 90 90 A V S < S- 0 0 0 -3,-1.7 3,-0.1 1,-0.2 -3,-0.1 -0.912 97.4 -15.6-110.2 123.5 35.2 95.9 69.1 91 91 A A S S+ 0 0 41 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.889 118.4 93.3 55.2 40.7 34.4 93.0 71.5 92 92 A T S S- 0 0 24 -3,-0.2 -1,-0.3 441,-0.1 3,-0.2 -0.869 81.4-123.5-145.8 176.1 37.7 91.4 70.6 93 93 A T S > S+ 0 0 86 -2,-0.3 3,-0.8 1,-0.1 4,-0.4 -0.002 75.2 115.5-113.9 24.5 41.2 91.4 71.9 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.4 1,-0.2 4,-0.6 0.742 57.7 75.8 -66.6 -24.6 42.7 92.5 68.6 95 95 A A H >> S+ 0 0 17 1,-0.3 3,-1.9 -3,-0.2 4,-0.7 0.895 88.7 59.4 -53.8 -41.1 43.9 95.8 70.1 96 96 A E H X> S+ 0 0 54 -3,-0.8 4,-1.4 1,-0.3 3,-0.7 0.794 92.9 67.9 -59.4 -27.1 46.7 93.9 71.8 97 97 A L H <> S+ 0 0 3 -3,-1.4 4,-1.4 -4,-0.4 -1,-0.3 0.775 91.1 61.2 -65.1 -24.3 47.8 92.8 68.3 98 98 A R H S+ 0 0 0 -4,-1.4 5,-3.0 2,-0.2 -2,-0.2 0.930 108.0 50.3 -69.1 -45.3 53.1 95.1 65.6 102 102 A K H ><5S+ 0 0 100 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.933 110.7 49.1 -58.3 -46.9 54.9 98.0 67.3 103 103 A R H 3<5S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 108.8 52.9 -65.2 -26.9 57.4 95.6 69.0 104 104 A A T 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.386 121.5-110.4 -87.6 4.9 58.0 93.9 65.6 105 105 A G T < 5S+ 0 0 58 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.883 73.4 137.6 69.4 39.0 58.7 97.4 64.2 106 106 A V < - 0 0 4 -5,-3.0 2,-0.3 -8,-0.1 -1,-0.2 -0.972 49.8-136.7-122.3 122.6 55.6 97.4 62.0 107 107 A E - 0 0 134 -2,-0.5 -104,-2.5 -106,-0.2 2,-0.3 -0.565 26.3-162.5 -74.6 135.6 53.4 100.5 61.7 108 108 A S E -b 3 0A 15 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.918 10.8-167.8-123.9 149.7 49.7 99.6 61.8 109 109 A Y E -b 4 0A 67 -106,-2.3 -104,-2.9 -2,-0.3 2,-0.4 -0.964 14.0-137.5-132.5 150.3 46.6 101.5 60.8 110 110 A V E -b 5 0A 9 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.928 9.5-167.5-115.3 131.6 42.9 100.8 61.6 111 111 A I E -b 6 0A 4 -106,-3.4 -104,-2.3 -2,-0.4 -94,-0.1 -0.961 22.4-143.4-116.5 111.9 40.0 101.0 59.2 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.181 16.7-172.1 -71.8 164.6 36.6 100.9 61.0 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 -97,-0.1 -0.954 42.8 -65.5-149.8 161.6 33.5 99.2 59.8 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.287 56.3-157.0 -56.3 135.1 29.9 99.1 61.0 115 115 A S >> - 0 0 0 264,-0.3 4,-2.7 -29,-0.2 3,-1.1 -0.884 28.4-130.3-118.4 149.0 29.6 97.4 64.3 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.3 -1,-0.1 0.812 106.0 72.3 -62.1 -28.8 26.8 95.7 66.2 117 117 A Y H 34 S+ 0 0 1 1,-0.2 -1,-0.3 416,-0.2 -26,-0.0 0.875 114.5 21.5 -55.8 -38.5 27.7 97.8 69.1 118 118 A S H X4 S+ 0 0 0 -3,-1.1 3,-2.1 1,-0.1 -2,-0.2 0.704 110.9 74.5-101.7 -24.4 26.2 100.9 67.4 119 119 A A H >< S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.3 -2,-0.2 0.721 77.2 79.0 -61.2 -20.1 23.9 99.0 65.0 120 120 A V G ><> + 0 0 0 -4,-1.3 3,-2.0 1,-0.3 5,-0.5 0.598 69.6 86.4 -65.4 -5.9 21.6 98.3 67.9 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.7 1,-0.3 -1,-0.3 0.781 74.2 70.9 -62.5 -23.6 20.5 101.9 67.3 122 122 A I G < 5S+ 0 0 5 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.640 82.9 69.8 -68.5 -13.4 18.1 100.4 64.8 123 123 A T G < 5S- 0 0 0 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.620 112.7-116.4 -78.1 -13.1 16.1 98.9 67.7 124 124 A G T < 5S+ 0 0 3 -3,-1.7 2,-0.4 1,-0.3 125,-0.2 0.322 73.4 131.3 94.7 -7.6 15.0 102.5 68.6 125 125 A L < - 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0 0 3 -9,-2.0 58,-0.5 -2,-0.5 2,-0.2 -0.313 24.1-143.4 -58.9 131.0 23.9 81.0 70.1 177 177 A T > - 0 0 36 1,-0.1 4,-2.0 56,-0.1 5,-0.1 -0.480 23.1-112.5 -91.1 165.5 20.3 82.1 69.4 178 178 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.837 119.3 58.2 -65.3 -31.6 18.3 84.6 71.5 179 179 A N H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 107.1 45.3 -64.3 -44.6 16.1 81.7 72.5 180 180 A E H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.874 112.5 51.9 -67.2 -35.8 19.1 79.9 74.0 181 181 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.889 109.9 49.3 -66.6 -39.4 20.3 83.0 75.7 182 182 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.895 109.4 51.7 -66.6 -40.4 16.8 83.6 77.2 183 183 A E H X S+ 0 0 72 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.941 110.2 48.5 -61.6 -47.8 16.7 80.0 78.5 184 184 A L H X S+ 0 0 21 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.905 110.4 51.8 -59.3 -42.7 20.1 80.3 80.2 185 185 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.887 105.5 54.0 -63.2 -40.3 19.1 83.6 81.8 186 186 A L H X S+ 0 0 30 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.892 109.4 50.4 -61.3 -36.7 15.9 82.1 83.2 187 187 A K H X S+ 0 0 109 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.901 109.4 48.4 -67.9 -42.0 18.0 79.5 84.8 188 188 A V H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.904 109.0 55.6 -64.3 -39.1 20.4 82.0 86.4 189 189 A E H X S+ 0 0 19 -4,-2.5 4,-3.6 1,-0.2 6,-0.2 0.922 104.0 53.3 -58.1 -46.0 17.4 83.9 87.7 190 190 A D H < S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 113.2 44.7 -57.0 -40.2 16.2 80.7 89.4 191 191 A M H < S+ 0 0 163 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.935 127.8 24.7 -70.2 -50.7 19.5 80.4 91.1 192 192 A K H < S- 0 0 103 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.756 83.5-158.4 -88.1 -27.5 20.1 84.0 92.2 193 193 A K < + 0 0 149 -4,-3.6 -3,-0.1 -5,-0.4 -4,-0.1 0.877 38.2 145.2 49.6 47.5 16.5 85.1 92.3 194 194 A G - 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