==== 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 06-MAR-07 2EHC . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUCTURAL . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.4 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 . 48 9.0 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 . 34 6.4 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 . 133 25.0 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 2 1 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 3 1 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 2 2 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 0 147 0, 0.0 106,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -26.3 55.7 97.9 55.0 2 2 A V E -a 107 0A 10 76,-0.4 78,-3.0 104,-0.1 2,-0.5 -0.880 360.0-143.0-132.8 160.0 52.4 98.1 56.8 3 3 A L E -ab 108 80A 0 104,-2.2 106,-2.1 -2,-0.3 2,-0.4 -0.986 17.8-161.1-121.4 126.4 49.6 96.0 58.4 4 4 A Y E -ab 109 81A 34 76,-2.8 78,-2.9 -2,-0.5 2,-0.7 -0.922 9.3-154.8-110.0 131.9 45.9 97.0 58.0 5 5 A F E -ab 110 82A 0 104,-2.9 106,-3.1 -2,-0.4 2,-0.5 -0.935 25.7-175.0-101.8 114.0 43.2 95.8 60.3 6 6 A I E -ab 111 83A 0 76,-2.3 78,-1.7 -2,-0.7 2,-0.2 -0.953 18.3-141.4-121.4 123.7 40.1 96.1 58.1 7 7 A G E - b 0 84A 0 104,-2.5 10,-0.5 -2,-0.5 80,-0.2 -0.517 4.1-161.3 -78.2 146.0 36.5 95.4 59.2 8 8 A L - 0 0 5 76,-2.5 7,-0.3 78,-0.4 3,-0.2 0.471 40.0-129.5-103.5 -8.0 34.1 93.7 56.7 9 9 A G B -E 86 0B 1 77,-1.6 77,-3.4 75,-0.4 -1,-0.3 -0.336 32.7 -46.7 95.6-174.2 30.9 94.7 58.4 10 10 A L S S- 0 0 2 75,-0.2 30,-0.4 5,-0.2 -1,-0.2 0.814 110.2 -8.1 -72.4 -43.7 27.7 93.2 59.6 11 11 A Y S S+ 0 0 55 1,-0.3 30,-2.4 -3,-0.2 31,-0.3 0.722 112.0 14.9-131.2 -49.0 26.2 90.8 57.1 12 12 A D S > S- 0 0 19 29,-0.2 3,-2.1 28,-0.1 -1,-0.3 -0.777 80.1 -88.1-131.4 178.1 27.7 90.6 53.6 13 13 A E G > S+ 0 0 40 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.722 118.1 64.2 -59.9 -22.5 30.7 91.6 51.5 14 14 A R G 3 S+ 0 0 66 1,-0.2 271,-2.8 270,-0.1 270,-0.4 0.472 81.1 80.6 -82.4 1.5 29.3 95.0 50.7 15 15 A D G < + 0 0 2 -3,-2.1 -1,-0.2 -7,-0.3 -5,-0.2 0.463 68.8 103.0 -85.0 0.2 29.3 96.1 54.4 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.4 97,-0.1 269,-0.3 -0.514 83.5-107.8 -75.8 149.4 33.0 96.9 54.0 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.460 20.8-117.5 -77.7 156.1 33.7 100.6 53.8 18 18 A V H > S+ 0 0 12 264,-2.6 4,-2.7 262,-0.3 5,-0.2 0.903 118.8 53.9 -57.4 -39.3 34.8 102.0 50.4 19 19 A K H > S+ 0 0 14 261,-2.6 4,-1.9 263,-0.3 -1,-0.2 0.935 108.8 47.5 -59.9 -48.1 38.0 103.0 52.1 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -1,-0.2 0.881 112.7 49.1 -62.5 -39.5 38.6 99.5 53.4 21 21 A L H X S+ 0 0 11 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.930 110.4 49.1 -67.0 -46.2 37.9 98.0 49.9 22 22 A E H X S+ 0 0 65 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.846 115.3 45.1 -64.0 -33.1 40.2 100.4 48.1 23 23 A I H >< S+ 0 0 27 -4,-1.9 3,-0.8 -5,-0.2 4,-0.4 0.919 112.1 50.6 -75.6 -43.9 43.0 99.7 50.5 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.900 103.9 59.5 -59.8 -42.5 42.5 95.9 50.6 25 25 A K H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 108.3 45.7 -57.5 -28.8 42.5 95.7 46.8 26 26 A K T << S+ 0 0 148 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.416 88.4 108.4 -97.9 0.4 46.0 97.2 46.7 27 27 A C < - 0 0 0 -3,-1.5 53,-0.2 -4,-0.4 3,-0.1 -0.444 63.9-140.8 -77.3 153.0 47.6 95.0 49.5 28 28 A D S S+ 0 0 85 51,-2.2 2,-0.4 1,-0.2 52,-0.2 0.869 86.9 23.4 -79.9 -39.6 50.1 92.3 48.6 29 29 A Y E -c 80 0A 109 50,-1.6 52,-2.3 24,-0.1 2,-0.5 -0.987 67.6-162.2-130.8 139.5 48.8 89.7 51.1 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.4 -2,-0.4 2,-0.3 -0.979 11.4 174.7-127.7 121.7 45.3 89.4 52.6 31 31 A F E +cd 82 56A 5 50,-3.3 52,-2.9 -2,-0.5 2,-0.3 -0.745 6.0 178.1-115.0 166.4 44.6 87.4 55.7 32 32 A A E -cd 83 57A 0 24,-1.8 26,-3.2 50,-0.3 2,-0.4 -0.987 20.3-145.2-164.1 160.0 41.3 87.1 57.6 33 33 A E E - d 0 58A 0 50,-2.0 26,-0.1 -2,-0.3 24,-0.0 -0.985 8.4-177.3-131.4 142.3 39.6 85.4 60.6 34 34 A F + 0 0 58 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.159 63.7 87.6-131.5 40.4 35.9 84.4 60.7 35 35 A Y S S+ 0 0 15 23,-0.1 135,-0.4 3,-0.1 3,-0.1 0.576 74.9 65.4-111.9 -15.9 35.7 83.0 64.2 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.706 118.3 -8.8 -80.0 -20.5 34.8 86.2 66.1 37 37 A S - 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.955 69.7-105.3-161.6 177.5 31.5 86.6 64.4 38 38 A L - 0 0 35 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.970 11.6-160.8-122.2 123.3 29.2 85.3 61.6 39 39 A M > - 0 0 16 -2,-0.5 3,-0.9 1,-0.1 -28,-0.2 -0.851 15.7-176.8 -99.6 96.6 28.6 87.1 58.3 40 40 A A T 3 + 0 0 41 -2,-1.0 -28,-0.1 -30,-0.4 -1,-0.1 0.562 69.6 57.5 -74.3 -10.6 25.4 85.3 57.3 41 41 A G T 3 S+ 0 0 17 -30,-2.4 2,-0.2 -3,-0.1 -1,-0.2 0.225 104.6 36.6-108.8 17.8 24.9 87.0 53.9 42 42 A T < - 0 0 19 -3,-0.9 2,-0.3 -31,-0.3 3,-0.1 -0.817 62.5-133.0-148.8-172.9 28.1 86.2 52.1 43 43 A T > - 0 0 73 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.928 34.6-105.4-143.3 165.4 30.9 83.6 51.4 44 44 A L H > S+ 0 0 66 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.911 120.5 56.7 -60.1 -40.1 34.7 83.6 51.3 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 106.5 46.5 -57.6 -45.9 34.4 83.4 47.5 46 46 A R H > S+ 0 0 148 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.858 112.7 50.4 -66.8 -35.4 32.3 86.5 47.2 47 47 A I H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.912 111.3 48.8 -68.1 -41.8 34.6 88.4 49.5 48 48 A Q H X>S+ 0 0 56 -4,-2.7 4,-2.2 1,-0.2 5,-1.0 0.912 109.9 51.8 -63.2 -42.6 37.6 87.3 47.5 49 49 A K H <5S+ 0 0 181 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.901 110.1 48.9 -61.5 -41.7 35.9 88.3 44.2 50 50 A L H <5S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.911 119.0 37.1 -65.1 -44.2 35.2 91.8 45.6 51 51 A I H <5S- 0 0 4 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.698 99.6-136.5 -81.8 -20.9 38.7 92.5 46.8 52 52 A G T <5 + 0 0 59 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.790 67.7 103.9 69.5 28.4 40.3 90.6 43.9 53 53 A K S - 0 0 38 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.381 34.4-100.5 -86.2 170.7 42.0 80.0 62.9 60 60 A R H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.896 126.6 50.0 -59.8 -39.2 41.8 81.3 66.5 61 61 A E H >>S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 5,-1.0 0.921 107.0 54.1 -65.3 -43.0 44.9 79.4 67.3 62 62 A D H >5S+ 0 0 45 3,-0.2 4,-0.9 2,-0.2 8,-0.2 0.918 117.7 37.2 -55.4 -45.8 46.7 80.8 64.3 63 63 A V H X5S+ 0 0 2 -4,-2.2 4,-1.4 3,-0.2 -2,-0.2 0.983 120.6 40.2 -72.1 -61.4 45.9 84.3 65.4 64 64 A E H <5S+ 0 0 72 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.861 131.1 25.9 -60.5 -38.0 46.2 84.2 69.2 65 65 A L H <5S+ 0 0 105 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.2 0.837 134.8 24.0 -96.4 -36.0 49.3 82.0 69.3 66 66 A N H >XS+ 0 0 0 -4,-1.4 4,-1.9 1,-0.3 5,-1.6 0.906 82.8 52.7 -57.0 -41.0 50.1 86.0 64.6 68 68 A E H 345S+ 0 0 72 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.606 114.7 42.0 -71.2 -11.8 53.8 87.1 64.8 69 69 A K H <45S+ 0 0 127 -3,-1.4 -2,-0.2 -7,-0.2 -1,-0.2 0.736 123.5 33.1-103.6 -30.5 54.9 84.1 62.8 70 70 A I H <5S+ 0 0 28 -4,-2.4 4,-0.3 -8,-0.2 -3,-0.2 0.887 132.0 16.8 -92.5 -48.0 52.2 84.0 60.1 71 71 A V T >X5S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 3,-1.0 0.921 115.8 56.2 -94.6 -56.1 51.2 87.6 59.4 72 72 A L H 3>4 S+ 0 0 63 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.896 107.9 43.5 -54.2 -40.6 56.8 88.6 58.9 74 74 A L H X> S+ 0 0 49 -3,-1.0 3,-1.4 -4,-0.3 4,-1.0 0.830 104.6 63.6 -73.0 -34.0 55.2 89.5 55.6 75 75 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 32,-0.2 0.589 90.9 68.9 -67.9 -9.7 54.1 93.0 56.8 76 76 A K T << S+ 0 0 116 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.734 118.6 16.4 -81.0 -22.1 57.8 93.9 57.2 77 77 A E T <4 S+ 0 0 162 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.262 127.5 42.0-132.4 9.6 58.4 93.9 53.4 78 78 A N S < S- 0 0 45 -4,-1.0 2,-0.7 -76,-0.1 -76,-0.4 -0.948 84.6 -97.5-150.1 167.0 54.8 94.1 52.0 79 79 A D - 0 0 54 -2,-0.3 -51,-2.2 -78,-0.2 -50,-1.6 -0.835 49.6-172.6 -90.7 118.5 51.5 95.8 52.5 80 80 A V E -bc 3 29A 0 -78,-3.0 -76,-2.8 -2,-0.7 2,-0.4 -0.918 13.5-160.4-119.9 142.8 49.3 93.3 54.4 81 81 A A E -bc 4 30A 0 -52,-2.3 -50,-3.3 -2,-0.4 2,-0.5 -0.938 4.4-162.8-121.1 143.6 45.7 93.3 55.4 82 82 A F E -bc 5 31A 0 -78,-2.9 -76,-2.3 -2,-0.4 2,-0.3 -0.977 17.8-157.7-125.6 111.5 43.9 91.3 58.1 83 83 A L E +bc 6 32A 0 -52,-2.9 -50,-2.0 -2,-0.5 -76,-0.2 -0.681 13.8 175.4 -95.1 146.4 40.1 91.2 57.6 84 84 A T E -b 7 0A 0 -78,-1.7 -76,-2.5 -2,-0.3 -75,-0.4 -0.972 36.2 -97.4-143.7 156.2 37.5 90.5 60.3 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.357 91.5 -10.6 -69.1 159.3 33.7 90.5 60.5 86 86 A G B S-E 9 0B 1 -77,-3.4 -77,-1.6 -79,-0.1 -78,-0.4 -0.185 129.3 -14.7 52.8-139.4 32.1 93.7 61.8 87 87 A D > - 0 0 0 446,-2.6 3,-1.5 -80,-0.2 25,-0.1 -0.856 66.9-134.7 -95.8 130.6 34.6 96.2 63.3 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.712 100.1 43.1 -58.1 -23.0 37.9 94.5 64.0 89 89 A L T 3 S+ 0 0 8 444,-0.1 2,-0.6 5,-0.1 304,-0.3 0.183 88.6 99.9-112.0 17.2 38.3 96.0 67.5 90 90 A V S < S- 0 0 0 -3,-1.5 -3,-0.1 1,-0.2 26,-0.1 -0.914 103.3 -17.2-108.9 116.4 34.8 95.5 68.9 91 91 A A S S+ 0 0 44 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.864 116.5 98.5 59.3 36.8 34.2 92.6 71.3 92 92 A T S S- 0 0 20 -3,-0.2 -1,-0.3 441,-0.1 3,-0.2 -0.854 77.8-128.8-136.0 168.9 37.4 90.9 70.1 93 93 A T S > S+ 0 0 85 -2,-0.3 3,-1.2 1,-0.1 4,-0.4 0.108 75.1 114.2-105.5 21.9 40.8 90.9 71.6 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.4 1,-0.3 4,-0.6 0.730 56.5 77.3 -66.4 -21.0 42.4 92.0 68.3 95 95 A A H >> S+ 0 0 18 1,-0.3 3,-1.6 -3,-0.2 4,-0.6 0.898 87.8 61.0 -55.9 -35.8 43.6 95.3 69.8 96 96 A E H X> S+ 0 0 57 -3,-1.2 4,-1.4 1,-0.3 3,-1.0 0.807 91.0 68.4 -60.4 -29.2 46.4 93.4 71.5 97 97 A L H <> S+ 0 0 3 -3,-1.4 4,-2.0 -4,-0.4 -1,-0.3 0.765 90.3 61.9 -63.2 -24.4 47.6 92.4 68.0 98 98 A R H S+ 0 0 0 -4,-2.0 5,-3.0 2,-0.2 3,-0.2 0.945 109.5 47.8 -61.9 -48.6 52.8 94.6 65.5 102 102 A K H ><5S+ 0 0 96 -4,-2.2 3,-2.7 1,-0.2 -2,-0.2 0.950 110.3 50.2 -57.7 -52.6 54.7 97.5 67.1 103 103 A R H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.779 108.3 55.2 -59.7 -26.2 57.1 95.3 68.9 104 104 A A T 3<5S- 0 0 25 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.396 121.4-111.0 -85.6 2.7 57.8 93.5 65.6 105 105 A G T < 5S+ 0 0 64 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.749 74.9 136.1 76.6 22.5 58.6 96.9 64.1 106 106 A V < - 0 0 3 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.904 50.2-138.3-109.6 124.8 55.4 96.9 61.9 107 107 A E E -a 2 0A 117 -106,-0.8 -104,-2.2 -2,-0.5 2,-0.3 -0.581 24.9-162.4 -77.3 138.8 53.2 100.0 61.6 108 108 A S E -a 3 0A 13 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.933 11.2-167.3-127.5 151.6 49.5 99.2 61.7 109 109 A Y E -a 4 0A 68 -106,-2.1 -104,-2.9 -2,-0.3 2,-0.4 -0.958 13.8-137.9-133.1 151.2 46.4 101.1 60.7 110 110 A V E -a 5 0A 9 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.936 9.7-168.6-117.7 131.3 42.7 100.4 61.4 111 111 A I E -a 6 0A 3 -106,-3.1 -104,-2.5 -2,-0.4 -94,-0.1 -0.971 21.7-145.1-117.1 114.0 39.8 100.7 59.0 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.163 16.8-175.4 -74.1 168.3 36.4 100.5 60.8 113 113 A A - 0 0 0 266,-0.1 268,-0.2 -97,-0.1 266,-0.1 -0.950 45.2 -60.6-155.5 164.0 33.2 99.0 59.5 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.271 56.8-158.6 -55.5 135.7 29.6 98.8 60.8 115 115 A S >> - 0 0 0 264,-0.3 4,-2.4 -29,-0.2 3,-0.9 -0.879 27.9-128.4-119.0 149.6 29.5 97.0 64.2 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.809 106.2 71.1 -64.3 -26.6 26.6 95.3 66.0 117 117 A Y H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.851 113.6 23.9 -58.7 -37.1 27.5 97.4 69.0 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-2.0 1,-0.1 -1,-0.2 0.721 110.2 73.1 -99.8 -25.7 26.1 100.5 67.2 119 119 A A H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 -2,-0.2 0.712 76.6 80.4 -61.8 -20.9 23.8 98.8 64.8 120 120 A V G ><> + 0 0 0 -4,-1.2 3,-2.1 1,-0.3 5,-0.5 0.607 68.8 86.7 -64.0 -6.2 21.4 98.0 67.7 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.788 73.7 71.3 -58.3 -26.0 20.3 101.6 67.2 122 122 A I G < 5S+ 0 0 5 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.616 81.8 70.7 -68.6 -10.4 17.9 100.1 64.7 123 123 A T G < 5S- 0 0 0 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.613 111.9-118.7 -76.4 -13.1 16.0 98.6 67.6 124 124 A G T < 5S+ 0 0 3 -3,-1.8 2,-0.3 1,-0.3 125,-0.2 0.389 72.2 132.5 92.5 -6.0 14.8 102.2 68.4 125 125 A L < - 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0 0 45 54,-0.0 -1,-0.3 49,-0.0 2,-0.2 -0.965 66.3-109.2-175.7 179.7 27.1 115.7 63.3 304 38 B L - 0 0 12 -2,-0.3 2,-0.6 -3,-0.1 48,-0.1 -0.772 15.2-126.8-124.1 170.0 29.6 116.6 60.6 305 39 B M > - 0 0 15 -2,-0.2 3,-1.4 1,-0.1 -28,-0.1 -0.826 30.1-179.0-116.7 85.8 32.0 114.9 58.2 306 40 B A T 3 S+ 0 0 37 -2,-0.6 -28,-0.1 -30,-0.3 -1,-0.1 0.691 72.1 57.8 -61.0 -25.3 35.2 116.8 58.9 307 41 B G T 3 S+ 0 0 20 -30,-2.2 -28,-0.3 -31,-0.1 -1,-0.3 0.265 111.7 28.2 -94.1 14.1 37.4 115.0 56.4 308 42 B T S < S- 0 0 16 -3,-1.4 2,-0.3 -31,-0.3 -3,-0.1 -0.833 70.3-121.1-152.5-171.7 35.4 115.8 53.3 309 43 B T > - 0 0 72 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.903 31.8-107.9-137.0 165.5 33.0 118.2 51.7 310 44 B L H > S+ 0 0 66 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.908 120.2 56.1 -60.4 -39.8 29.5 118.1 50.2 311 45 B G H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 107.1 46.6 -59.4 -42.9 31.0 118.4 46.8 312 46 B R H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.847 112.3 50.1 -70.2 -33.4 33.3 115.4 47.3 313 47 B I H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.925 111.4 49.9 -69.3 -42.2 30.4 113.3 48.6 314 48 B Q H X>S+ 0 0 61 -4,-2.7 4,-2.1 1,-0.2 5,-1.1 0.895 109.8 49.9 -61.6 -41.9 28.3 114.4 45.6 315 49 B K H <5S+ 0 0 180 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.872 110.9 50.0 -66.3 -37.5 31.0 113.4 43.1 316 50 B L H <5S+ 0 0 47 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.949 117.8 37.7 -65.8 -49.2 31.4 110.0 44.7 317 51 B I H <5S- 0 0 4 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.752 99.2-138.8 -74.5 -24.3 27.7 109.2 44.6 318 52 B G T <5 + 0 0 59 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.810 66.3 106.0 69.3 29.7 27.3 110.9 41.3 319 53 B K S - 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