==== 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 15-DEC-06 2E4R . 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) . 21749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.5 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 . 41 7.7 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 . 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 3 3 2 3 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 4 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 0 120 0, 0.0 106,-0.4 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 94.9 55.6 96.7 55.4 2 2 A V E -a 79 0A 13 76,-1.5 78,-3.5 104,-0.1 2,-0.5 -0.983 360.0-124.8-159.8 161.8 52.6 97.4 57.6 3 3 A L E -ab 80 108A 0 104,-2.6 106,-2.2 -2,-0.3 2,-0.5 -0.966 18.0-163.7-120.4 127.7 49.7 95.6 59.4 4 4 A Y E -ab 81 109A 35 76,-3.2 78,-3.3 -2,-0.5 2,-0.8 -0.927 9.9-155.9-111.8 126.7 46.0 96.6 59.0 5 5 A F E -ab 82 110A 0 104,-2.8 106,-3.1 -2,-0.5 2,-0.5 -0.907 25.8-172.6 -96.8 112.4 43.3 95.5 61.4 6 6 A I E -ab 83 111A 0 76,-2.3 78,-1.7 -2,-0.8 106,-0.2 -0.933 16.1-143.5-118.1 119.4 40.2 95.7 59.2 7 7 A G E -a 84 0A 0 104,-2.7 10,-0.4 -2,-0.5 80,-0.2 -0.471 3.9-161.0 -75.3 146.2 36.7 95.3 60.4 8 8 A L - 0 0 3 76,-2.5 7,-0.4 78,-0.5 3,-0.1 0.464 37.8-127.0-105.1 -6.3 34.2 93.6 58.1 9 9 A G B -E 86 0B 1 77,-1.5 77,-3.3 75,-0.4 -1,-0.3 -0.320 33.4 -52.7 94.5-174.8 31.0 94.7 59.7 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.1 -1,-0.1 0.884 110.7 -1.9 -74.8 -49.2 27.8 93.2 61.0 11 11 A Y S S+ 0 0 54 1,-0.3 30,-2.0 199,-0.2 31,-0.3 0.813 112.9 9.2-117.7 -54.5 26.2 90.8 58.4 12 12 A D S > S- 0 0 17 198,-0.2 3,-2.2 29,-0.2 -1,-0.3 -0.755 79.4 -86.9-129.4 178.4 27.8 90.5 55.0 13 13 A E G > S+ 0 0 31 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.705 118.5 65.9 -59.2 -20.7 30.9 91.4 53.0 14 14 A R G 3 S+ 0 0 62 1,-0.2 271,-2.6 270,-0.1 270,-0.4 0.521 80.4 79.1 -81.6 -2.2 29.3 94.7 52.0 15 15 A D G < + 0 0 4 -3,-2.2 -1,-0.2 -7,-0.4 -2,-0.1 0.503 69.7 104.2 -82.6 -1.3 29.4 95.9 55.6 16 16 A I S < S- 0 0 2 -3,-1.0 268,-2.6 -4,-0.1 269,-0.3 -0.506 81.7-110.2 -74.3 147.9 33.1 96.7 55.2 17 17 A T B > -F 283 0C 1 -10,-0.4 4,-2.2 95,-0.4 266,-0.3 -0.407 21.9-115.0 -75.9 160.0 33.8 100.4 54.8 18 18 A V H > S+ 0 0 8 264,-2.6 4,-2.6 262,-0.5 5,-0.3 0.893 119.5 56.1 -61.0 -38.7 35.0 101.7 51.5 19 19 A K H > S+ 0 0 2 261,-2.4 4,-2.0 263,-0.3 5,-0.3 0.928 107.8 48.0 -57.6 -46.6 38.3 102.6 53.2 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -1,-0.2 0.890 111.2 50.4 -63.2 -40.5 38.7 99.0 54.3 21 21 A L H X S+ 0 0 17 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.957 111.4 45.6 -63.8 -52.0 37.9 97.6 50.9 22 22 A E H X S+ 0 0 91 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.878 117.9 43.2 -61.4 -40.1 40.4 99.8 48.9 23 23 A I H >< S+ 0 0 20 -4,-2.0 3,-0.6 -5,-0.3 4,-0.3 0.923 113.5 52.1 -71.4 -43.5 43.2 99.2 51.4 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.2 -5,-0.3 -2,-0.2 0.874 104.3 58.2 -58.7 -38.9 42.4 95.5 51.7 25 25 A K H 3< S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.818 108.3 45.6 -61.0 -33.7 42.5 95.2 47.9 26 26 A K T << S+ 0 0 165 -4,-0.9 -1,-0.2 -3,-0.6 2,-0.2 0.280 86.1 111.6 -96.4 8.7 46.1 96.4 47.8 27 27 A C < - 0 0 0 -3,-1.2 53,-0.2 -4,-0.3 3,-0.1 -0.553 63.2-140.3 -81.9 150.2 47.6 94.3 50.7 28 28 A D S S+ 0 0 80 51,-2.1 2,-0.4 1,-0.2 52,-0.2 0.899 86.2 21.6 -75.9 -41.7 50.1 91.6 49.8 29 29 A Y E -c 80 0A 107 50,-1.6 52,-2.1 24,-0.1 2,-0.5 -0.970 67.7-158.9-129.9 144.6 48.7 89.1 52.3 30 30 A V E +cd 81 55A 6 24,-0.5 26,-2.3 -2,-0.4 2,-0.3 -0.973 12.2 174.9-129.5 120.6 45.3 88.8 53.9 31 31 A F E +cd 82 56A 9 50,-3.2 52,-3.0 -2,-0.5 2,-0.3 -0.727 6.8 175.2-113.9 166.9 44.5 86.9 57.1 32 32 A A E -cd 83 57A 0 24,-1.6 26,-3.6 50,-0.3 2,-0.4 -0.984 21.5-146.9-167.8 158.7 41.3 86.7 59.1 33 33 A E E - d 0 58A 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.972 7.2-177.0-131.4 145.2 39.4 85.1 62.0 34 34 A F + 0 0 57 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.148 64.1 87.6-134.4 37.5 35.8 84.3 62.2 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.3 1,-0.1 3,-0.1 0.608 73.9 66.1-110.1 -17.9 35.5 83.0 65.8 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 134,-0.0 -1,-0.1 0.640 119.0 -9.4 -79.4 -13.5 34.8 86.3 67.7 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.974 71.0-103.0-168.7 173.9 31.5 86.7 65.9 38 38 A L - 0 0 34 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.951 11.6-162.7-119.1 125.3 29.2 85.4 63.2 39 39 A M > - 0 0 14 -2,-0.5 3,-1.2 1,-0.1 -28,-0.2 -0.795 16.4-178.6-103.0 88.2 28.6 87.1 59.8 40 40 A A T 3 + 0 0 40 -2,-1.0 -1,-0.1 -30,-0.3 -28,-0.1 0.628 69.5 58.1 -64.1 -19.1 25.4 85.3 58.9 41 41 A G T 3 S+ 0 0 12 -30,-2.0 2,-0.3 -3,-0.1 -1,-0.2 0.220 105.1 40.1-101.3 17.9 24.8 86.9 55.5 42 42 A T < - 0 0 21 -3,-1.2 2,-0.3 -31,-0.3 -3,-0.1 -0.858 61.0-137.7-148.9-177.8 28.1 86.0 53.7 43 43 A T > - 0 0 73 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.903 36.0-105.8-140.4 166.3 30.7 83.3 53.1 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.897 119.5 57.7 -62.2 -38.1 34.5 83.3 52.9 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.910 104.8 47.8 -58.8 -46.5 34.2 83.0 49.1 46 46 A R H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 112.9 50.6 -63.8 -34.9 32.1 86.1 48.7 47 47 A I H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.949 112.2 44.9 -67.5 -49.7 34.6 88.0 50.9 48 48 A Q H X>S+ 0 0 59 -4,-3.0 4,-2.8 1,-0.2 5,-1.2 0.911 112.9 52.8 -59.5 -42.6 37.6 86.8 48.9 49 49 A K H <5S+ 0 0 182 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.924 110.2 47.8 -59.5 -44.9 35.8 87.6 45.7 50 50 A L H <5S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 120.7 35.7 -65.2 -39.4 35.1 91.1 46.8 51 51 A I H <5S- 0 0 7 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.708 101.4-133.2 -87.3 -21.3 38.7 91.8 47.9 52 52 A G T <5 + 0 0 57 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.874 67.8 105.3 70.9 38.0 40.2 89.8 45.1 53 53 A K S - 0 0 39 -2,-0.3 4,-1.9 -26,-0.1 5,-0.1 -0.389 34.6-101.5 -87.2 170.7 41.8 79.8 64.6 60 60 A R H > S+ 0 0 103 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.892 125.0 50.9 -61.3 -38.9 41.7 81.3 68.1 61 61 A E H >>S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 5,-1.0 0.920 105.9 54.6 -65.5 -42.3 44.8 79.4 69.0 62 62 A D H >5S+ 0 0 42 3,-0.2 4,-0.7 2,-0.2 7,-0.3 0.896 117.9 37.5 -56.2 -41.1 46.7 80.6 65.9 63 63 A V H X5S+ 0 0 1 -4,-1.9 4,-1.4 3,-0.2 5,-0.2 0.979 119.7 41.6 -75.5 -62.1 45.9 84.2 67.0 64 64 A E H <5S+ 0 0 72 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.801 133.3 21.9 -60.2 -31.5 46.2 84.1 70.7 65 65 A L H <5S+ 0 0 107 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.2 0.755 135.4 26.8-108.4 -30.2 49.3 82.0 70.7 66 66 A N H >XS+ 0 0 0 -4,-1.4 4,-2.3 1,-0.3 5,-1.5 0.948 84.9 48.2 -57.6 -48.2 49.9 85.8 65.9 68 68 A E H 345S+ 0 0 77 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.536 114.7 47.1 -70.5 -6.1 53.6 86.9 66.0 69 69 A N H <45S+ 0 0 101 -3,-1.2 -1,-0.2 -7,-0.3 -2,-0.2 0.675 123.9 27.7-105.4 -25.6 54.7 83.7 64.3 70 70 A I H <5S+ 0 0 28 -4,-2.0 4,-0.3 -3,-0.3 -2,-0.2 0.834 133.5 21.0-102.9 -46.0 52.1 83.6 61.5 71 71 A V T >X5S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.4 3,-0.7 0.927 115.8 54.6 -92.2 -55.9 51.1 87.2 60.7 72 72 A L H 3>4 S+ 0 0 54 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.922 105.4 44.3 -51.4 -47.8 56.6 87.9 60.1 74 74 A L H X> S+ 0 0 54 -3,-0.7 4,-2.9 -4,-0.3 3,-1.0 0.782 104.9 64.2 -68.3 -27.4 55.1 88.8 56.7 75 75 A A H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.4 32,-0.2 0.798 90.2 65.7 -67.5 -28.4 54.3 92.3 57.8 76 76 A K T << S+ 0 0 91 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.727 120.0 21.5 -66.6 -19.9 58.0 93.2 58.2 77 77 A E T <4 S+ 0 0 152 -3,-1.0 -2,-0.2 -4,-0.3 2,-0.2 0.651 128.5 29.4-118.0 -27.3 58.3 92.8 54.5 78 78 A N S < S- 0 0 42 -4,-2.9 -76,-1.5 -76,-0.0 2,-0.6 -0.649 84.3 -91.3-126.6-177.9 54.8 93.3 53.0 79 79 A D E -a 2 0A 50 -78,-0.3 -51,-2.1 -2,-0.2 -50,-1.6 -0.891 49.1-170.9 -98.3 117.3 51.5 95.0 53.6 80 80 A V E -ac 3 29A 0 -78,-3.5 -76,-3.2 -2,-0.6 2,-0.4 -0.885 13.3-158.6-117.4 145.0 49.3 92.7 55.6 81 81 A A E -ac 4 30A 0 -52,-2.1 -50,-3.2 -2,-0.4 2,-0.5 -0.939 2.7-161.4-120.4 141.7 45.6 92.9 56.5 82 82 A F E -ac 5 31A 0 -78,-3.3 -76,-2.3 -2,-0.4 2,-0.3 -0.961 17.6-157.1-123.1 109.0 43.9 91.0 59.4 83 83 A L E +ac 6 32A 0 -52,-3.0 -50,-1.9 -2,-0.5 -76,-0.2 -0.659 15.5 172.0 -92.7 144.0 40.1 90.9 58.9 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.5 -2,-0.3 -75,-0.4 -0.982 37.3 -97.3-144.5 154.7 37.5 90.4 61.7 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.296 91.9 -9.6 -66.6 159.2 33.7 90.5 61.9 86 86 A G B S-E 9 0B 1 -77,-3.3 -77,-1.5 -79,-0.1 -78,-0.5 -0.179 128.8 -12.6 52.2-140.2 32.2 93.8 63.2 87 87 A D > - 0 0 0 446,-2.5 3,-1.6 -80,-0.2 25,-0.1 -0.828 67.2-130.2 -95.5 132.7 34.8 96.2 64.5 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.791 102.5 37.7 -47.9 -41.2 38.4 94.7 65.1 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 295,-0.1 3,-0.4 0.284 89.3 109.2-102.4 11.9 38.8 96.0 68.7 90 90 A V S < S- 0 0 0 -3,-1.6 3,-0.1 1,-0.2 -3,-0.1 -0.796 95.8 -18.6 -97.5 122.7 35.3 95.6 70.1 91 91 A A S S+ 0 0 41 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.897 117.4 94.3 51.9 44.5 34.5 93.0 72.7 92 92 A T S S- 0 0 24 -3,-0.4 3,-0.2 441,-0.1 -1,-0.2 -0.879 83.1-119.2-145.1 175.3 37.7 91.1 71.8 93 93 A T S > S+ 0 0 86 -2,-0.3 3,-0.7 1,-0.1 4,-0.4 0.078 79.2 112.2-106.3 23.8 41.3 90.9 72.9 94 94 A H T >> + 0 0 2 -6,-0.3 3,-1.0 1,-0.2 4,-0.6 0.748 59.7 73.4 -70.0 -24.3 42.6 92.1 69.5 95 95 A A H >> S+ 0 0 16 1,-0.3 3,-1.8 -3,-0.2 4,-0.6 0.922 91.8 57.3 -56.3 -41.1 43.8 95.4 70.9 96 96 A E H X> S+ 0 0 50 -3,-0.7 4,-1.4 1,-0.3 3,-0.8 0.783 92.3 69.9 -60.8 -27.5 46.6 93.6 72.6 97 97 A L H <> S+ 0 0 3 -3,-1.0 4,-1.7 -4,-0.4 -1,-0.3 0.755 90.2 61.7 -63.4 -22.5 47.7 92.3 69.2 98 98 A R H <>S+ 0 0 0 -4,-1.7 5,-2.8 1,-0.2 3,-0.6 0.941 109.4 48.8 -61.3 -47.1 53.0 94.3 66.4 102 102 A K H ><5S+ 0 0 98 -4,-2.3 3,-2.5 1,-0.2 -2,-0.2 0.943 108.4 52.1 -58.0 -50.5 54.9 97.2 67.9 103 103 A R H 3<5S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.734 107.6 54.4 -60.8 -21.8 57.4 95.0 69.8 104 104 A A T <<5S- 0 0 30 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.344 122.5-107.5 -92.5 5.8 58.1 93.2 66.4 105 105 A G T < 5S+ 0 0 55 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.768 75.9 137.4 77.2 24.1 58.8 96.6 64.8 106 106 A V < - 0 0 4 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.899 49.0-138.5-110.1 129.8 55.6 96.6 62.8 107 107 A E - 0 0 132 -2,-0.5 -104,-2.6 -106,-0.4 2,-0.4 -0.646 23.8-162.1 -82.0 137.5 53.4 99.6 62.4 108 108 A S E -b 3 0A 12 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.938 10.7-168.6-125.8 148.1 49.6 98.9 62.6 109 109 A Y E -b 4 0A 62 -106,-2.2 -104,-2.8 -2,-0.4 2,-0.5 -0.962 15.3-137.0-130.7 148.9 46.5 100.8 61.6 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.7 367,-0.2 -104,-0.2 -0.929 10.0-167.7-114.2 124.9 42.9 100.2 62.4 111 111 A I E -b 6 0A 4 -106,-3.1 -104,-2.7 -2,-0.5 -94,-0.1 -0.929 21.7-146.4-109.5 108.3 40.1 100.4 59.9 112 112 A H - 0 0 9 -2,-0.7 -95,-0.4 -106,-0.2 -92,-0.2 -0.165 16.8-175.1 -70.2 165.2 36.7 100.4 61.8 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 -97,-0.1 -0.941 44.4 -59.8-152.1 165.4 33.5 98.9 60.6 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.252 57.6-158.6 -53.8 137.1 29.9 98.8 61.9 115 115 A S >> - 0 0 0 264,-0.3 4,-2.3 -29,-0.2 3,-1.0 -0.894 28.7-127.5-121.1 150.7 29.7 97.2 65.3 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.3 -1,-0.1 0.831 107.4 70.9 -63.0 -28.7 26.9 95.5 67.2 117 117 A Y H 34 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.845 111.8 26.0 -58.1 -36.5 27.8 97.9 70.1 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-2.0 1,-0.1 -1,-0.2 0.711 109.6 72.8 -98.4 -24.5 26.4 100.9 68.1 119 119 A A H >< S+ 0 0 0 -4,-2.3 3,-2.5 1,-0.3 -2,-0.2 0.738 75.9 81.5 -61.2 -22.2 23.9 98.9 66.0 120 120 A V G ><>S+ 0 0 0 -4,-1.3 3,-2.3 1,-0.3 5,-0.5 0.699 70.6 84.5 -56.3 -15.4 21.8 98.5 69.2 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.771 74.9 68.9 -58.3 -23.7 20.6 102.0 68.2 122 122 A I G < 5S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.619 84.3 71.0 -72.3 -9.3 18.1 100.4 65.9 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.548 110.6-117.8 -81.9 -7.8 16.2 99.1 69.0 124 124 A G T < 5S+ 0 0 2 -3,-1.5 2,-0.4 1,-0.3 125,-0.2 0.286 73.9 130.8 89.8 -12.2 15.1 102.6 69.7 125 125 A L S - 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0 0 2 -9,-2.1 58,-0.5 -2,-0.5 2,-0.1 -0.385 24.3-144.7 -62.6 127.0 23.7 81.0 71.6 177 177 A T > - 0 0 37 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.435 24.5-112.4 -86.2 165.9 20.1 82.2 70.8 178 178 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.847 118.9 60.3 -65.9 -32.5 18.3 84.8 72.9 179 179 A N H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 105.6 45.8 -60.2 -47.1 16.0 82.0 74.0 180 180 A E H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 110.5 53.6 -62.9 -42.3 18.9 80.1 75.6 181 181 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.917 109.1 49.7 -58.5 -43.6 20.2 83.3 77.2 182 182 A M H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.878 109.2 51.3 -63.0 -39.7 16.8 83.8 78.7 183 183 A E H X S+ 0 0 73 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.936 110.5 48.5 -63.8 -46.3 16.7 80.3 80.0 184 184 A L H X S+ 0 0 20 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.883 110.4 51.7 -61.5 -39.9 20.1 80.6 81.7 185 185 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.865 106.9 52.1 -66.7 -37.7 19.1 83.9 83.3 186 186 A L H X S+ 0 0 38 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.904 108.6 52.3 -65.0 -38.8 15.9 82.5 84.8 187 187 A K H X S+ 0 0 116 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.863 110.6 47.1 -64.2 -36.2 18.0 79.7 86.3 188 188 A V H X S+ 0 0 3 -4,-1.6 4,-3.5 2,-0.2 5,-0.4 0.895 111.3 51.0 -71.7 -39.7 20.4 82.2 87.8 189 189 A E H X S+ 0 0 25 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.902 107.3 54.0 -62.3 -41.0 17.4 84.2 89.2 190 190 A D H < S+ 0 0 111 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.904 115.1 41.5 -59.7 -39.3 16.1 81.0 90.7 191 191 A M H < S+ 0 0 151 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.953 128.8 25.8 -73.0 -53.0 19.4 80.6 92.4 192 192 A K H < S- 0 0 92 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.2 0.747 82.1-157.6 -85.7 -26.7 20.1 84.2 93.5 193 193 A K < + 0 0 144 -4,-3.1 -4,-0.1 -5,-0.4 -3,-0.1 0.881 38.4 145.6 49.0 49.1 16.5 85.5 93.7 194 194 A G - 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