==== 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 26-MAR-07 2EL2 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,Y.TANAKA,K.PAMPA,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUCT . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.2 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 23.7 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 8 1 0 1 4 2 1 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 1 3 2 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 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 0 110 0, 0.0 106,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 62.5 56.1 97.7 56.5 2 2 A V E -a 107 0A 22 76,-0.4 78,-2.9 104,-0.1 2,-0.4 -0.909 360.0-136.2-131.1 158.1 52.9 98.4 58.3 3 3 A L E -ab 108 80A 0 104,-2.8 106,-2.4 -2,-0.3 2,-0.5 -0.949 16.2-157.3-114.4 131.5 50.0 96.4 59.8 4 4 A Y E -ab 109 81A 34 76,-3.0 78,-3.2 -2,-0.4 2,-0.8 -0.938 7.6-156.7-112.1 126.2 46.4 97.4 59.3 5 5 A F E -ab 110 82A 0 104,-3.2 106,-3.2 -2,-0.5 2,-0.5 -0.908 25.8-176.3 -96.8 112.1 43.6 96.3 61.7 6 6 A I E -ab 111 83A 0 76,-2.3 78,-1.5 -2,-0.8 2,-0.2 -0.948 17.6-142.8-120.3 121.8 40.5 96.6 59.5 7 7 A G E - b 0 84A 0 104,-2.5 10,-0.5 -2,-0.5 80,-0.2 -0.506 3.3-159.3 -79.3 147.0 37.0 96.0 60.6 8 8 A L - 0 0 4 76,-2.8 7,-0.3 78,-0.4 3,-0.2 0.550 38.8-128.4-100.4 -12.4 34.5 94.3 58.3 9 9 A G B -E 86 0B 1 77,-1.5 77,-3.5 75,-0.4 -1,-0.3 -0.416 33.7 -50.1 99.6-173.2 31.3 95.5 59.9 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.2 0.830 110.4 -5.7 -77.0 -40.6 28.1 93.9 61.1 11 11 A Y S S+ 0 0 53 1,-0.4 30,-2.1 199,-0.2 31,-0.5 0.764 111.9 11.2-128.9 -52.8 26.6 91.6 58.6 12 12 A D S > S- 0 0 20 29,-0.2 3,-2.1 198,-0.1 -1,-0.4 -0.761 80.0 -87.4-130.0 177.3 28.0 91.2 55.1 13 13 A E G > S+ 0 0 37 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.692 118.3 66.4 -59.9 -19.5 31.1 92.2 53.1 14 14 A R G 3 S+ 0 0 62 1,-0.2 271,-2.6 270,-0.1 272,-0.3 0.530 80.8 78.8 -81.4 -2.6 29.6 95.5 52.1 15 15 A D G < S+ 0 0 1 -3,-2.1 -1,-0.2 -7,-0.3 -5,-0.2 0.461 70.0 103.0 -83.2 0.6 29.7 96.7 55.7 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.6 97,-0.1 269,-0.3 -0.507 81.7-109.3 -76.9 151.4 33.4 97.5 55.4 17 17 A T B > -F 283 0C 2 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.466 20.5-115.9 -80.4 158.3 34.2 101.2 55.0 18 18 A V H > S+ 0 0 9 264,-2.6 4,-2.6 262,-0.4 5,-0.2 0.903 119.4 53.8 -58.3 -40.3 35.4 102.6 51.7 19 19 A K H > S+ 0 0 2 261,-2.5 4,-1.9 263,-0.3 5,-0.3 0.948 108.7 48.3 -58.3 -49.7 38.6 103.5 53.4 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -2,-0.2 0.892 112.3 48.9 -59.2 -42.0 39.0 99.9 54.6 21 21 A L H X S+ 0 0 16 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.948 110.0 48.6 -64.8 -50.6 38.4 98.4 51.2 22 22 A E H < S+ 0 0 97 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.858 116.9 43.2 -59.4 -36.6 40.8 100.6 49.2 23 23 A I H >< S+ 0 0 18 -4,-1.9 3,-1.0 -5,-0.2 -1,-0.2 0.904 112.1 52.6 -76.0 -41.7 43.6 99.9 51.7 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.4 -5,-0.3 -2,-0.2 0.882 103.4 58.6 -60.7 -39.6 42.8 96.2 52.0 25 25 A K T 3< S+ 0 0 92 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.747 108.5 46.8 -62.4 -23.4 43.0 95.9 48.2 26 26 A K T < S+ 0 0 161 -3,-1.0 -1,-0.3 -4,-0.5 2,-0.2 0.287 84.7 108.9-104.7 10.5 46.5 97.2 48.3 27 27 A C < - 0 0 0 -3,-1.4 53,-0.2 -4,-0.2 3,-0.1 -0.624 63.3-140.7 -86.2 147.9 48.0 95.1 51.1 28 28 A D S S+ 0 0 86 51,-1.8 2,-0.4 -2,-0.2 52,-0.2 0.867 87.4 24.6 -74.5 -37.0 50.5 92.4 50.2 29 29 A Y E -c 80 0A 106 50,-1.6 52,-2.1 24,-0.1 2,-0.5 -0.986 69.0-160.6-131.5 140.1 49.2 89.8 52.7 30 30 A V E +c 81 0A 8 24,-0.5 26,-2.2 -2,-0.4 2,-0.3 -0.977 11.7 173.9-127.3 123.5 45.7 89.6 54.2 31 31 A F E +cd 82 56A 8 50,-3.3 52,-3.0 -2,-0.5 2,-0.3 -0.775 6.1 174.0-117.5 165.6 44.8 87.7 57.4 32 32 A A E -cd 83 57A 0 24,-1.6 26,-3.4 50,-0.3 2,-0.3 -0.981 20.5-144.9-163.4 166.6 41.5 87.6 59.3 33 33 A E - 0 0 0 50,-1.6 26,-0.1 -2,-0.3 24,-0.0 -0.990 7.5-176.0-140.1 143.6 39.6 85.9 62.2 34 34 A F + 0 0 59 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.229 64.3 87.0-133.8 43.2 36.0 85.0 62.4 35 35 A Y S S+ 0 0 19 23,-0.1 135,-0.4 3,-0.1 3,-0.1 0.568 75.2 65.1-115.4 -16.9 35.7 83.8 66.0 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.684 119.0 -8.2 -80.2 -16.7 35.0 87.0 67.9 37 37 A S - 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.976 69.8-104.2-165.4 174.4 31.7 87.4 66.1 38 38 A L - 0 0 33 -2,-0.3 2,-1.1 -28,-0.1 3,-0.1 -0.948 11.3-163.1-118.0 122.3 29.4 86.2 63.3 39 39 A M > - 0 0 14 -2,-0.5 3,-1.6 1,-0.2 -28,-0.2 -0.730 16.2-176.7-100.3 82.4 28.8 87.9 60.0 40 40 A A T 3 S+ 0 0 40 -2,-1.1 -1,-0.2 -30,-0.3 -28,-0.1 0.610 70.6 56.7 -56.0 -18.3 25.6 86.1 59.1 41 41 A G T 3 S+ 0 0 17 -30,-2.1 -1,-0.3 -31,-0.1 2,-0.2 0.430 103.5 42.6-101.0 3.5 25.3 87.7 55.7 42 42 A T < - 0 0 21 -3,-1.6 2,-0.3 -31,-0.5 -3,-0.1 -0.786 61.1-138.3-137.5-179.5 28.5 86.9 53.9 43 43 A T > - 0 0 74 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.913 34.5-107.3-136.4 162.5 31.1 84.1 53.2 44 44 A L H > S+ 0 0 67 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.919 120.1 56.6 -57.0 -42.5 34.9 84.1 53.1 45 45 A G H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.920 106.0 47.9 -55.2 -48.7 34.6 83.7 49.4 46 46 A R H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 112.5 49.5 -61.4 -40.3 32.6 86.9 48.9 47 47 A I H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.955 112.3 47.6 -63.2 -50.2 35.0 88.9 51.1 48 48 A Q H X>S+ 0 0 54 -4,-3.0 4,-2.3 1,-0.2 5,-1.3 0.908 111.5 50.8 -56.4 -45.2 38.0 87.6 49.2 49 49 A K H <5S+ 0 0 187 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.903 109.9 51.5 -60.8 -41.1 36.2 88.4 45.9 50 50 A L H <5S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.919 120.3 31.4 -63.8 -46.3 35.5 91.9 47.1 51 51 A I H <5S- 0 0 5 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.649 103.9-129.9 -87.9 -13.6 39.1 92.7 48.2 52 52 A G T <5 + 0 0 57 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.884 68.2 105.5 68.7 40.4 40.6 90.6 45.5 53 53 A K S - 0 0 38 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.403 34.3-100.4 -89.3 170.9 42.1 80.6 64.9 60 60 A R H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.875 125.9 49.9 -60.0 -36.8 41.9 82.0 68.4 61 61 A E H >>S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 5,-1.1 0.939 107.0 53.2 -68.5 -45.7 45.0 80.1 69.2 62 62 A D H >5S+ 0 0 42 3,-0.2 4,-1.0 2,-0.2 7,-0.2 0.922 119.1 36.6 -52.6 -47.2 46.9 81.4 66.2 63 63 A V H X5S+ 0 0 2 -4,-2.3 4,-1.7 3,-0.2 5,-0.2 0.989 120.1 42.3 -69.9 -63.9 46.1 84.9 67.2 64 64 A E H <5S+ 0 0 69 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.803 132.1 22.5 -57.8 -33.7 46.3 84.8 71.0 65 65 A L H <5S+ 0 0 101 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.800 135.8 25.9-104.1 -35.2 49.5 82.7 71.1 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 5,-1.3 0.951 84.8 49.4 -53.6 -51.7 50.2 86.5 66.3 68 68 A E H 345S+ 0 0 74 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.564 115.7 44.8 -65.7 -8.7 53.8 87.8 66.5 69 69 A N H <45S+ 0 0 103 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.696 123.8 29.7-105.4 -28.8 55.0 84.6 64.8 70 70 A I H <5S+ 0 0 30 -4,-2.5 4,-0.4 -3,-0.3 -3,-0.2 0.876 133.5 18.7 -97.1 -48.6 52.4 84.3 62.0 71 71 A V T >X5S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.4 3,-1.0 0.943 115.5 56.5 -90.1 -60.5 51.4 87.9 61.1 72 72 A L H 3>4 S+ 0 0 57 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.934 105.1 44.9 -54.7 -46.4 56.9 88.8 60.6 74 74 A L H X> S+ 0 0 54 -3,-1.0 4,-1.9 -4,-0.4 3,-1.1 0.812 105.5 61.9 -66.8 -30.9 55.4 89.6 57.2 75 75 A A H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 32,-0.2 0.710 89.5 70.8 -69.0 -20.4 54.5 93.2 58.3 76 76 A K T << S+ 0 0 99 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.778 119.3 15.6 -68.6 -24.9 58.2 93.9 58.9 77 77 A E T <4 S+ 0 0 162 -3,-1.1 2,-0.2 -4,-0.4 -2,-0.2 0.478 129.4 40.6-124.4 -10.0 58.8 93.9 55.1 78 78 A N S < S- 0 0 48 -4,-1.9 2,-0.7 -5,-0.1 -76,-0.4 -0.760 84.3 -95.7-133.2 177.7 55.3 94.2 53.7 79 79 A D - 0 0 49 -2,-0.2 -51,-1.8 -78,-0.2 -50,-1.6 -0.888 48.5-173.6 -97.3 113.8 51.9 95.9 54.1 80 80 A V E -bc 3 29A 0 -78,-2.9 -76,-3.0 -2,-0.7 2,-0.4 -0.889 13.0-159.8-116.5 144.4 49.7 93.5 56.1 81 81 A A E -bc 4 30A 0 -52,-2.1 -50,-3.3 -2,-0.4 2,-0.5 -0.946 3.9-162.6-121.8 141.7 46.1 93.6 56.9 82 82 A F E -bc 5 31A 0 -78,-3.2 -76,-2.3 -2,-0.4 -50,-0.3 -0.971 17.7-158.7-123.6 110.9 44.2 91.8 59.7 83 83 A L E +bc 6 32A 0 -52,-3.0 -50,-1.6 -2,-0.5 -76,-0.2 -0.649 14.1 172.9 -95.0 149.6 40.5 91.7 59.2 84 84 A T E -b 7 0A 0 -78,-1.5 -76,-2.8 -2,-0.3 -75,-0.4 -0.979 37.4 -93.5-149.1 157.3 37.8 91.1 61.9 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.329 92.5 -12.0 -67.6 158.0 34.0 91.2 62.1 86 86 A G B S-E 9 0B 2 -77,-3.5 -77,-1.5 -79,-0.1 -78,-0.4 -0.164 129.5 -13.9 51.5-140.8 32.5 94.5 63.3 87 87 A D > - 0 0 0 446,-2.6 3,-1.4 -80,-0.2 25,-0.1 -0.846 68.7-132.9 -93.8 128.5 35.0 97.0 64.8 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.738 101.1 40.7 -52.7 -28.0 38.4 95.2 65.4 89 89 A L T > S+ 0 0 10 5,-0.1 2,-0.7 444,-0.1 3,-0.5 0.438 87.5 104.7-105.3 1.2 38.8 96.6 68.9 90 90 A V T < S- 0 0 0 -3,-1.4 -3,-0.1 443,-0.3 26,-0.1 -0.744 101.5 -18.1 -91.8 110.5 35.3 96.4 70.3 91 91 A A T 3 S+ 0 0 42 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.892 117.2 95.9 65.4 39.8 34.7 93.7 72.8 92 92 A T S < S- 0 0 23 -3,-0.5 -1,-0.3 441,-0.1 3,-0.2 -0.826 80.7-122.6-141.9 176.7 37.8 91.7 71.8 93 93 A T S > S+ 0 0 91 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 0.101 77.7 114.4-111.7 19.5 41.3 91.7 73.2 94 94 A H T >> + 0 0 1 -6,-0.4 3,-1.4 1,-0.2 4,-0.5 0.736 57.4 74.7 -62.3 -25.2 42.7 92.8 69.9 95 95 A A H >> S+ 0 0 16 1,-0.3 3,-1.6 -3,-0.2 4,-0.6 0.873 89.6 59.4 -56.4 -37.4 43.9 96.1 71.2 96 96 A E H X> S+ 0 0 52 -3,-1.1 4,-1.4 1,-0.3 3,-0.7 0.753 91.4 69.1 -63.2 -25.1 46.8 94.3 73.0 97 97 A L H <> S+ 0 0 3 -3,-1.4 4,-1.8 -4,-0.4 -1,-0.3 0.757 90.7 61.7 -66.2 -22.6 47.9 93.1 69.6 98 98 A R H <>S+ 0 0 0 -4,-1.8 5,-3.2 2,-0.2 3,-0.6 0.949 109.8 47.6 -61.2 -47.5 53.2 95.1 66.9 102 102 A K H ><5S+ 0 0 98 -4,-2.2 3,-2.7 1,-0.2 -2,-0.2 0.943 108.3 53.4 -58.7 -50.3 55.1 98.0 68.6 103 103 A R H 3<5S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.726 109.2 50.1 -59.9 -21.1 57.4 95.7 70.5 104 104 A A T <<5S- 0 0 31 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.245 121.7-109.8 -98.9 11.0 58.3 94.0 67.2 105 105 A G T < 5S+ 0 0 51 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.819 73.0 140.2 66.2 31.9 59.0 97.4 65.6 106 106 A V < - 0 0 5 -5,-3.2 -1,-0.2 -6,-0.2 2,-0.2 -0.936 47.7-137.9-113.1 122.3 55.9 97.2 63.4 107 107 A E E -a 2 0A 118 -106,-0.8 -104,-2.8 -2,-0.5 2,-0.3 -0.528 24.8-164.5 -73.7 139.4 53.7 100.3 62.9 108 108 A S E -a 3 0A 12 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.950 10.4-165.5-130.1 151.0 50.0 99.6 63.0 109 109 A Y E -a 4 0A 52 -106,-2.4 -104,-3.2 -2,-0.3 2,-0.5 -0.963 13.6-137.6-132.5 150.6 46.9 101.5 61.9 110 110 A V E -a 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.938 11.0-171.0-116.4 123.5 43.2 101.0 62.7 111 111 A I E -a 6 0A 3 -106,-3.2 -104,-2.5 -2,-0.5 -94,-0.1 -0.943 23.1-145.9-110.9 110.6 40.3 101.3 60.2 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.127 15.8-171.9 -71.1 169.7 37.0 101.2 62.0 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 -97,-0.1 -0.953 43.6 -63.4-154.3 161.8 33.8 99.6 60.8 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.286 57.2-158.8 -56.1 134.7 30.2 99.6 62.1 115 115 A S >> - 0 0 0 264,-0.3 4,-2.3 -29,-0.2 3,-1.2 -0.864 29.5-125.3-118.5 151.8 29.9 97.9 65.5 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.3 -1,-0.1 0.808 108.0 70.6 -62.4 -28.2 27.1 96.3 67.4 117 117 A Y H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.836 111.9 26.7 -60.8 -33.0 28.0 98.6 70.3 118 118 A S H X4 S+ 0 0 0 -3,-1.2 3,-2.1 1,-0.1 -1,-0.2 0.717 108.5 72.8-100.0 -25.3 26.7 101.7 68.3 119 119 A A H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.670 75.4 83.9 -62.7 -15.0 24.2 99.8 66.2 120 120 A V G ><>S+ 0 0 2 -4,-0.9 3,-2.4 1,-0.3 5,-0.6 0.725 70.1 81.7 -60.3 -18.8 22.1 99.4 69.4 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.5 1,-0.3 -1,-0.3 0.738 75.7 70.2 -58.7 -22.2 20.8 102.9 68.5 122 122 A I G < 5S+ 0 0 6 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.613 84.8 69.4 -72.7 -9.3 18.4 101.2 66.0 123 123 A T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.579 111.4-118.1 -82.1 -9.9 16.5 99.9 69.1 124 124 A G T < 5S+ 0 0 2 -3,-1.5 2,-0.4 1,-0.3 125,-0.2 0.398 72.7 132.3 88.3 -4.4 15.3 103.5 69.9 125 125 A L < - 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0 0 5 76,-2.9 3,-0.2 1,-0.3 7,-0.2 0.559 37.7-135.9 -93.8 -12.1 28.8 108.8 56.9 275 9 B G B -R 352 0I 1 77,-2.0 77,-3.2 75,-0.4 -1,-0.3 -0.468 35.7 -43.7 93.4-163.3 31.2 107.5 59.5 276 10 B L S S- 0 0 28 5,-0.2 30,-0.2 75,-0.2 -1,-0.2 0.872 106.1 -14.7 -80.7 -46.4 33.9 109.2 61.6 277 11 B Y S S+ 0 0 41 1,-0.3 30,-2.1 -3,-0.2 31,-0.3 0.734 106.9 20.2-135.4 -46.6 36.2 111.7 59.7 278 12 B D S > S- 0 0 20 29,-0.2 3,-2.0 28,-0.1 -1,-0.3 -0.709 82.7 -85.6-127.6-178.2 36.3 111.8 55.9 279 13 B E G > S+ 0 0 50 1,-0.3 3,-0.6 -2,-0.2 -261,-0.1 0.646 120.6 61.9 -64.1 -14.5 34.4 110.9 52.8 280 14 B R G 3 S+ 0 0 61 1,-0.2 -261,-2.5 -262,-0.1 -262,-0.4 0.469 82.5 82.8 -90.2 1.4 35.9 107.4 52.8 281 15 B D G < + 0 0 7 -3,-2.0 -5,-0.2 -7,-0.2 -1,-0.2 0.481 67.8 95.2 -83.6 -1.9 34.3 106.6 56.2 282 16 B I S < S- 0 0 2 -3,-0.6 -264,-2.6 -7,-0.1 -263,-0.3 -0.531 84.6-108.3 -81.0 155.5 31.0 105.7 54.7 283 17 B T B > -F 17 0C 0 -10,-0.5 4,-2.4 95,-0.3 -266,-0.3 -0.483 19.8-112.7 -86.5 160.6 30.6 101.9 54.1 284 18 B V H > S+ 0 0 10 -268,-2.6 4,-2.3 1,-0.2 5,-0.2 0.900 121.5 50.9 -54.8 -40.1 30.6 100.3 50.7 285 19 B K H > S+ 0 0 1 -271,-2.6 4,-2.1 -269,-0.3 -1,-0.2 0.907 109.0 49.7 -64.5 -43.5 26.9 99.5 51.3 286 20 B G H > S+ 0 0 0 -272,-0.3 4,-1.9 92,-0.2 -2,-0.2 0.859 111.9 48.5 -65.3 -36.0 26.1 103.0 52.2 287 21 B L H X S+ 0 0 20 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.948 111.8 46.9 -69.4 -50.4 27.8 104.4 49.1 288 22 B E H X S+ 0 0 76 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.890 114.9 46.7 -61.2 -40.1 26.1 102.0 46.6 289 23 B I H >< S+ 0 0 18 -4,-2.1 3,-0.7 -5,-0.2 4,-0.4 0.918 111.4 51.5 -68.9 -41.1 22.7 102.6 48.1 290 24 B A H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.896 105.3 56.7 -61.6 -40.0 23.1 106.4 48.2 291 25 B K H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.768 106.8 49.7 -63.0 -26.2 24.2 106.3 44.5 292 26 B K T << S+ 0 0 144 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.449 89.6 104.1 -92.2 -2.4 20.9 104.6 43.6 293 27 B C < - 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0 0 45 -4,-0.0 -1,-0.3 132,-0.0 2,-0.3 -0.968 62.9-118.9-174.6 170.2 28.4 117.0 64.0 304 38 B L - 0 0 26 -2,-0.3 2,-0.9 -3,-0.1 3,-0.1 -0.828 20.7-123.8-122.7 161.7 30.8 117.8 61.2 305 39 B M > - 0 0 12 -2,-0.3 3,-2.3 1,-0.2 -28,-0.1 -0.727 32.1-177.7-104.6 78.2 33.1 115.7 59.0 306 40 B A T 3 S+ 0 0 42 -2,-0.9 -1,-0.2 1,-0.3 -28,-0.1 0.654 74.4 59.1 -52.1 -22.5 36.3 117.6 59.9 307 41 B G T 3 S+ 0 0 19 -30,-2.1 -1,-0.3 -31,-0.1 2,-0.2 0.412 114.2 20.0 -92.1 4.2 38.4 115.5 57.5 308 42 B T S < S- 0 0 16 -3,-2.3 2,-0.3 -31,-0.3 -3,-0.1 -0.743 71.6-115.8-148.5-165.3 36.4 116.3 54.3 309 43 B T > - 0 0 72 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.939 30.3-109.7-140.6 163.4 34.0 118.7 52.7 310 44 B L H > S+ 0 0 70 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.906 120.1 56.6 -59.0 -40.1 30.5 118.7 51.3 311 45 B G H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 108.1 45.1 -58.8 -43.6 32.1 119.0 47.9 312 46 B R H > S+ 0 0 151 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 113.7 49.0 -69.2 -39.4 34.2 115.8 48.3 313 47 B I H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.933 113.1 48.4 -64.8 -43.5 31.3 113.8 49.8 314 48 B Q H X>S+ 0 0 73 -4,-3.0 4,-2.3 -5,-0.2 5,-1.1 0.902 111.2 49.6 -63.0 -42.4 29.1 115.0 46.9 315 49 B K H <5S+ 0 0 176 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.903 111.3 49.2 -64.3 -41.9 31.7 114.1 44.3 316 50 B L H <5S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 118.7 37.9 -65.5 -39.7 32.2 110.6 45.8 317 51 B I H <5S- 0 0 4 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.748 98.4-140.5 -84.5 -23.6 28.5 109.9 45.9 318 52 B G T <5 + 0 0 58 -4,-2.3 2,-0.3 -5,-0.2 -3,-0.2 0.913 65.0 104.4 64.6 43.0 27.9 111.6 42.6 319 53 B K S - 0 0 57 -2,-0.4 4,-1.9 -26,-0.1 5,-0.2 -0.336 35.8 -96.4 -86.2 174.1 19.3 122.5 59.2 326 60 B R H > S+ 0 0 118 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.890 127.6 47.4 -57.1 -41.9 18.3 121.4 62.7 327 61 B E H >>S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 5,-1.3 0.875 105.2 58.4 -69.5 -37.6 14.9 123.0 62.2 328 62 B D H 45S+ 0 0 37 3,-0.2 4,-0.4 2,-0.2 7,-0.2 0.913 117.3 35.4 -56.2 -42.2 14.5 121.4 58.8 329 63 B V H X5S+ 0 0 1 -4,-1.9 4,-1.2 3,-0.2 -2,-0.2 0.973 122.7 38.8 -76.8 -59.0 14.9 118.0 60.5 330 64 B E H <5S+ 0 0 73 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.844 131.2 25.4 -65.5 -37.5 13.2 118.4 63.9 331 65 B L T <5S+ 0 0 106 -4,-2.1 -3,-0.2 -5,-0.3 -1,-0.2 0.830 135.5 22.6 -97.8 -35.3 10.3 120.6 62.8 332 66 B N T >>X>S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.3 5,-1.6 0.911 81.0 53.7 -52.7 -45.4 11.2 116.3 58.4 334 68 B E H 345S+ 0 0 92 1,-0.2 -1,-0.3 3,-0.2 -2,-0.1 0.655 113.8 40.1 -67.4 -17.4 7.8 115.1 57.3 335 69 B N H <45S+ 0 0 91 -3,-1.4 -1,-0.2 -7,-0.2 -2,-0.2 0.519 124.3 35.0-108.5 -5.2 7.2 117.9 54.8 336 70 B I H <<5S+ 0 0 22 -4,-1.4 4,-0.3 -3,-0.6 -3,-0.2 0.786 132.2 17.1-109.1 -50.4 10.7 118.1 53.3 337 71 B V T X5S+ 0 0 0 -4,-2.0 4,-1.0 -5,-0.3 3,-0.5 0.926 119.1 54.3 -90.4 -53.9 12.1 114.6 53.3 338 72 B L H >4 S+ 0 0 66 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.939 107.0 46.9 -57.8 -44.9 6.9 113.4 50.8 340 74 B L H >> S+ 0 0 52 -3,-0.5 4,-1.0 -4,-0.3 3,-0.7 0.769 103.1 64.7 -65.4 -26.9 9.7 112.6 48.2 341 75 B A H 3< S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.3 32,-0.2 0.634 88.1 70.7 -72.7 -13.5 10.1 109.2 49.9 342 76 B K T << S+ 0 0 74 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.817 116.6 17.5 -72.7 -32.1 6.6 108.2 48.8 343 77 B E T <4 S+ 0 0 165 -3,-0.7 2,-0.3 -4,-0.4 -2,-0.2 0.357 128.1 37.5-120.9 1.8 7.4 108.0 45.1 344 78 B N S < S- 0 0 45 -4,-1.0 -76,-1.1 -76,-0.0 2,-0.6 -0.857 84.0 -94.5-143.6 177.3 11.2 107.7 45.2 345 79 B D E -n 268 0H 60 -2,-0.3 -51,-2.2 -53,-0.2 -50,-1.5 -0.897 46.7-169.7 -98.2 119.0 14.2 106.3 47.0 346 80 B V E -np 269 295H 0 -78,-2.8 -76,-3.4 -2,-0.6 2,-0.4 -0.905 10.4-156.0-115.5 142.7 15.5 108.9 49.4 347 81 B A E -np 270 296H 0 -52,-2.4 -50,-3.5 -2,-0.4 2,-0.5 -0.915 3.5-164.7-117.0 142.1 18.7 109.0 51.4 348 82 B F E -np 271 297H 0 -78,-2.8 -76,-2.5 -2,-0.4 2,-0.3 -0.959 15.9-158.2-126.3 107.6 19.3 110.9 54.6 349 83 B L E +np 272 298H 0 -52,-3.5 -50,-1.5 -2,-0.5 -76,-0.2 -0.709 14.1 174.5 -92.5 139.2 23.0 111.1 55.5 350 84 B T E -n 273 0H 4 -78,-2.0 -76,-2.9 -2,-0.3 -75,-0.4 -0.989 37.0-101.1-140.1 147.1 24.4 111.8 59.0 351 85 B P S S- 0 0 14 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.321 91.4 -2.4 -62.7 152.9 27.9 111.9 60.4 352 86 B G B S-R 275 0I 14 -77,-3.2 -77,-2.0 -79,-0.1 29,-0.2 -0.408 122.1 -15.1 71.2-139.6 28.8 108.7 62.3 353 87 B D S > S- 0 0 3 -80,-0.2 3,-1.4 -79,-0.1 4,-0.4 -0.866 77.2-106.0-105.6 132.3 26.2 106.0 62.7 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.202 100.3 20.0 -56.4 148.7 22.5 106.7 62.0 355 89 B L T 3 S+ 0 0 7 1,-0.1 -228,-0.2 -233,-0.1 6,-0.2 0.530 88.9 108.0 70.1 8.8 20.3 106.9 65.1 356 90 B V < + 0 0 23 -3,-1.4 -229,-0.4 -230,-0.1 -228,-0.2 0.908 57.1 84.5 -79.3 -44.6 23.0 107.7 67.6 357 91 B A S >> S- 0 0 30 -4,-0.4 3,-1.8 1,-0.1 4,-0.6 -0.402 94.2-122.5 -56.5 127.0 22.0 111.3 67.9 358 92 B T T 34 S+ 0 0 63 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.719 104.4 45.7 -51.3 -29.2 19.2 111.0 70.6 359 93 B T T 34 S+ 0 0 61 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.597 93.8 78.9 -92.5 -8.3 16.4 112.6 68.5 360 94 B H T X4 S+ 0 0 4 -3,-1.8 3,-1.8 1,-0.2 4,-0.5 0.848 79.5 66.3 -69.2 -33.5 17.0 110.7 65.3 361 95 B A T >X S+ 0 0 7 -4,-0.6 3,-1.9 1,-0.3 4,-0.6 0.907 95.5 58.6 -54.8 -41.3 15.4 107.4 66.3 362 96 B E H 3> S+ 0 0 44 -3,-0.3 4,-1.7 -4,-0.3 3,-0.3 0.663 88.4 74.8 -65.7 -12.5 12.0 109.2 66.4 363 97 B L H <> S+ 0 0 3 -3,-1.8 4,-1.7 -4,-0.3 -1,-0.3 0.774 90.8 57.1 -68.4 -24.8 12.4 110.2 62.7 364 98 B R H <> S+ 0 0 30 -3,-1.9 4,-2.2 -4,-0.5 -1,-0.2 0.805 101.9 54.3 -75.2 -28.9 11.6 106.5 61.9 365 99 B I H X S+ 0 0 7 -4,-0.6 4,-2.5 -3,-0.3 -2,-0.2 0.920 106.8 51.8 -68.5 -41.4 8.3 106.8 63.7 366 100 B R H X S+ 0 0 42 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.912 108.1 52.3 -59.3 -41.6 7.5 109.8 61.5 367 101 B A H <>S+ 0 0 0 -4,-1.7 5,-2.6 2,-0.2 3,-0.5 0.937 108.6 49.6 -59.3 -48.6 8.4 107.7 58.5 368 102 B K H ><5S+ 0 0 101 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.938 107.7 53.8 -55.8 -50.8 6.0 104.9 59.6 369 103 B R H 3<5S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.5 52.3 -55.1 -31.1 3.2 107.4 60.2 370 104 B A T 3<5S- 0 0 40 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.306 119.2-110.1 -90.3 9.9 3.6 108.7 56.6 371 105 B G T < 5S+ 0 0 38 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.840 74.2 140.2 66.1 32.0 3.4 105.2 55.2 372 106 B V < - 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