==== 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 2EL1 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,M.TAKETA,N.ONO,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUCTUR . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21735.0 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 . 36 6.8 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 . 129 24.3 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 0 0 4 4 0 4 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 4 3 2 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 0 116 0, 0.0 106,-0.5 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 71.6 55.3 97.1 55.3 2 2 A V - 0 0 23 104,-0.1 78,-3.2 76,-0.1 2,-0.5 -0.848 360.0-115.8-138.3 173.8 52.5 97.6 57.8 3 3 A L E -ab 80 108A 0 104,-2.3 106,-2.3 -2,-0.3 2,-0.5 -0.965 21.3-159.6-119.6 128.3 49.6 95.7 59.4 4 4 A Y E -ab 81 109A 34 76,-3.4 78,-2.9 -2,-0.5 2,-0.8 -0.903 8.4-156.4-109.3 129.5 46.0 96.6 59.0 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.2 -2,-0.5 2,-0.5 -0.924 26.1-174.7 -99.9 110.5 43.2 95.5 61.4 6 6 A I E -ab 83 111A 0 76,-2.1 78,-1.6 -2,-0.8 2,-0.2 -0.935 17.4-143.0-118.3 121.5 40.2 95.7 59.1 7 7 A G E -a 84 0A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.511 4.4-161.9 -77.6 144.6 36.6 95.2 60.3 8 8 A L - 0 0 3 76,-2.9 7,-0.3 78,-0.5 3,-0.2 0.493 39.1-133.0-102.0 -9.1 34.2 93.5 57.9 9 9 A G B -E 86 0B 1 77,-1.7 77,-3.9 75,-0.4 -1,-0.3 -0.367 32.3 -44.9 94.8-170.4 31.0 94.6 59.7 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.1 0.895 110.1 -5.0 -73.6 -52.3 27.8 93.1 60.8 11 11 A Y S S+ 0 0 53 1,-0.3 30,-2.1 199,-0.2 31,-0.4 0.818 112.5 9.2-118.6 -56.5 26.2 90.7 58.3 12 12 A D S > S- 0 0 19 198,-0.2 3,-1.9 29,-0.2 -1,-0.3 -0.690 80.4 -87.4-125.3-179.4 27.7 90.3 54.8 13 13 A E G > S+ 0 0 35 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.703 118.1 67.6 -63.3 -19.0 30.8 91.3 52.9 14 14 A R G 3 S+ 0 0 63 1,-0.2 271,-2.6 270,-0.1 272,-0.3 0.519 80.2 78.4 -80.6 -1.4 29.2 94.6 51.9 15 15 A D G < + 0 0 2 -3,-1.9 -1,-0.2 -7,-0.3 -5,-0.2 0.439 70.0 104.2 -85.1 2.6 29.3 95.9 55.5 16 16 A I S < S- 0 0 2 -3,-1.0 268,-2.5 97,-0.1 269,-0.3 -0.527 81.2-109.9 -77.5 149.1 33.0 96.6 55.1 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.3 95,-0.4 266,-0.3 -0.444 21.0-116.0 -78.5 158.2 33.8 100.4 54.7 18 18 A V H > S+ 0 0 12 264,-2.6 4,-2.6 262,-0.5 5,-0.2 0.910 119.2 55.5 -58.5 -40.1 35.0 101.7 51.3 19 19 A K H > S+ 0 0 1 261,-2.5 4,-2.1 263,-0.3 5,-0.2 0.936 107.7 47.9 -56.0 -49.9 38.2 102.6 53.1 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -1,-0.2 0.882 111.6 49.7 -60.8 -40.7 38.7 99.0 54.3 21 21 A L H X S+ 0 0 14 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.945 110.1 49.0 -64.9 -48.9 38.0 97.6 50.9 22 22 A E H X S+ 0 0 84 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.908 117.0 42.4 -57.2 -45.2 40.4 99.8 49.0 23 23 A I H >< S+ 0 0 19 -4,-2.1 3,-0.8 -5,-0.2 4,-0.2 0.918 112.5 52.1 -70.1 -43.6 43.2 99.1 51.5 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.887 105.2 58.4 -59.2 -38.5 42.4 95.4 51.7 25 25 A K H 3< S+ 0 0 80 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.777 107.9 45.8 -61.9 -29.0 42.6 95.2 47.9 26 26 A K T << S+ 0 0 170 -3,-0.8 -1,-0.2 -4,-0.8 2,-0.2 0.235 86.8 109.1-102.2 13.2 46.2 96.6 47.9 27 27 A C < - 0 0 0 -3,-1.3 53,-0.2 -4,-0.2 3,-0.1 -0.621 63.0-141.1 -88.1 149.9 47.7 94.4 50.7 28 28 A D S S+ 0 0 86 51,-1.9 2,-0.4 -2,-0.2 52,-0.2 0.899 86.8 24.6 -76.5 -41.5 50.2 91.7 49.8 29 29 A Y E -c 80 0A 110 50,-1.5 52,-2.1 24,-0.1 2,-0.5 -0.970 69.3-158.0-126.9 141.5 48.9 89.1 52.3 30 30 A V E +cd 81 55A 8 24,-0.6 26,-2.6 -2,-0.4 2,-0.2 -0.952 13.0 174.7-127.2 116.9 45.4 88.8 53.8 31 31 A F E +cd 82 56A 7 50,-3.3 52,-3.0 -2,-0.5 2,-0.3 -0.705 5.1 173.9-110.7 165.9 44.5 87.0 57.0 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.4 50,-0.3 2,-0.3 -0.986 20.0-148.0-165.8 160.6 41.2 86.7 58.9 33 33 A E - 0 0 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.981 6.8-175.9-135.5 145.8 39.4 85.1 61.9 34 34 A F + 0 0 48 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.211 63.9 88.9-135.5 42.5 35.8 84.2 62.2 35 35 A Y S S+ 0 0 18 23,-0.1 135,-0.4 3,-0.1 136,-0.1 0.537 75.0 64.8-114.2 -13.4 35.5 82.9 65.7 36 36 A T S S- 0 0 12 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.673 119.5 -12.6 -84.2 -17.0 34.8 86.2 67.5 37 37 A S S S- 0 0 3 496,-0.1 2,-0.4 49,-0.0 -1,-0.1 -0.954 70.2-103.4-165.8 178.6 31.4 86.6 65.8 38 38 A L - 0 0 37 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.975 10.2-159.1-124.6 127.5 29.2 85.3 63.0 39 39 A M > - 0 0 13 -2,-0.4 3,-1.2 1,-0.1 -28,-0.2 -0.818 16.5-174.9-102.2 90.8 28.6 87.0 59.7 40 40 A A T 3 S+ 0 0 38 -2,-1.0 -28,-0.1 -30,-0.3 -1,-0.1 0.572 71.4 54.6 -64.2 -14.9 25.3 85.2 58.7 41 41 A G T 3 S+ 0 0 15 -30,-2.1 -1,-0.2 -31,-0.1 2,-0.2 0.253 103.8 45.2-109.2 16.1 24.9 86.7 55.3 42 42 A T < - 0 0 21 -3,-1.2 2,-0.3 -31,-0.4 -3,-0.1 -0.800 58.7-143.6-142.9-176.1 28.2 85.9 53.5 43 43 A T > - 0 0 70 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.901 37.3-100.5-144.4 171.4 30.8 83.3 52.8 44 44 A M H > S+ 0 0 62 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.928 120.5 55.4 -62.5 -43.6 34.6 83.1 52.4 45 45 A G H > S+ 0 0 41 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.915 106.3 48.8 -55.4 -48.1 34.2 83.0 48.7 46 46 A R H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 113.8 47.3 -61.7 -38.5 32.2 86.2 48.5 47 47 A I H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.929 114.2 46.0 -69.0 -45.0 34.7 88.0 50.7 48 48 A Q H X>S+ 0 0 64 -4,-3.1 4,-2.8 1,-0.2 5,-1.0 0.907 113.4 50.5 -62.8 -41.5 37.7 86.7 48.7 49 49 A K H <5S+ 0 0 186 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.923 112.7 46.0 -62.2 -45.3 35.9 87.6 45.5 50 50 A L H <5S+ 0 0 49 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.920 120.4 38.1 -64.3 -45.8 35.1 91.2 46.7 51 51 A I H <5S- 0 0 5 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.793 99.9-137.2 -76.9 -29.1 38.6 91.8 48.0 52 52 A G T <5 + 0 0 56 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.819 66.6 101.8 75.4 31.3 40.3 90.0 45.1 53 53 A K S - 0 0 33 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.406 33.4-102.2 -88.3 169.8 42.0 79.8 64.5 60 60 A R H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.880 126.6 49.7 -60.3 -36.2 41.7 81.2 68.0 61 61 A E H >>S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 5,-1.0 0.917 106.3 54.6 -68.2 -43.2 44.9 79.3 68.8 62 62 A D H >5S+ 0 0 40 3,-0.2 4,-1.1 2,-0.2 7,-0.2 0.920 118.6 36.0 -54.8 -44.7 46.7 80.6 65.7 63 63 A V H X5S+ 0 0 2 -4,-2.2 4,-1.7 3,-0.2 5,-0.2 0.982 120.1 42.2 -73.2 -63.4 45.9 84.2 66.9 64 64 A E H <5S+ 0 0 72 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.792 132.4 23.5 -59.1 -30.3 46.2 84.1 70.6 65 65 A L H <5S+ 0 0 111 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.756 136.0 24.4-107.4 -30.8 49.3 81.9 70.6 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.4 1,-0.3 5,-1.5 0.945 85.9 49.5 -52.7 -50.2 49.9 85.8 65.8 68 68 A E H 345S+ 0 0 74 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.530 115.0 45.8 -67.6 -5.9 53.5 87.0 66.0 69 69 A N H <45S+ 0 0 102 -3,-1.8 -1,-0.2 -7,-0.2 -2,-0.2 0.676 124.1 28.3-106.7 -27.3 54.7 83.8 64.3 70 70 A I H <5S+ 0 0 30 -4,-2.3 4,-0.3 -3,-0.3 -3,-0.2 0.835 133.8 20.4-101.2 -44.8 52.2 83.7 61.5 71 71 A V T >X5S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.4 3,-0.7 0.921 116.1 54.4 -93.9 -55.5 51.2 87.3 60.7 72 72 A L T 344 S+ 0 0 70 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.919 108.7 43.1 -50.7 -44.7 56.8 88.1 60.3 74 74 A L G X> S+ 0 0 53 -3,-0.7 4,-1.6 -4,-0.3 3,-1.0 0.799 100.6 70.1 -70.9 -29.4 55.2 89.0 56.9 75 75 A A G 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 32,-0.2 0.540 91.2 64.5 -66.3 -5.1 54.2 92.5 58.1 76 76 A K G <4 S+ 0 0 82 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.795 115.3 23.0 -88.5 -31.1 57.9 93.3 58.1 77 77 A E T <4 S+ 0 0 154 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.2 0.447 128.5 29.5-113.4 -4.7 58.4 93.0 54.3 78 78 A N S < S- 0 0 42 -4,-1.6 2,-0.6 -76,-0.0 -76,-0.1 -0.863 84.3 -92.6-145.1 177.2 54.9 93.5 53.1 79 79 A D - 0 0 47 -78,-0.3 -51,-1.9 -2,-0.3 -50,-1.5 -0.879 47.4-167.9 -97.1 121.4 51.5 95.2 53.7 80 80 A V E -ac 3 29A 0 -78,-3.2 -76,-3.4 -2,-0.6 2,-0.4 -0.909 12.1-157.8-118.6 143.0 49.3 92.8 55.7 81 81 A A E -ac 4 30A 0 -52,-2.1 -50,-3.3 -2,-0.4 2,-0.5 -0.925 2.2-163.9-117.8 141.1 45.6 92.8 56.5 82 82 A F E -ac 5 31A 0 -78,-2.9 -76,-2.1 -2,-0.4 -50,-0.3 -0.953 17.6-157.8-125.1 106.2 43.9 91.0 59.3 83 83 A L E +ac 6 32A 0 -52,-3.0 -50,-1.9 -2,-0.5 -76,-0.2 -0.622 15.2 171.9 -90.1 144.9 40.1 90.8 58.8 84 84 A T E -a 7 0A 0 -78,-1.6 -76,-2.9 -2,-0.3 -75,-0.4 -0.984 37.2 -96.4-146.5 155.0 37.5 90.3 61.5 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.304 91.4 -11.2 -66.3 158.4 33.7 90.4 61.8 86 86 A G B S-E 9 0B 1 -77,-3.9 -77,-1.7 -79,-0.1 -78,-0.5 -0.155 129.3 -15.0 50.9-141.7 32.1 93.7 63.0 87 87 A D > - 0 0 0 446,-2.5 3,-1.4 -80,-0.2 25,-0.1 -0.828 68.5-132.4 -93.2 130.7 34.7 96.1 64.4 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.711 100.7 41.6 -55.2 -25.7 38.0 94.4 65.1 89 89 A L T 3 S+ 0 0 10 5,-0.1 2,-0.6 444,-0.1 3,-0.4 0.348 87.8 103.5-108.1 6.6 38.5 95.8 68.7 90 90 A V S < S- 0 0 0 -3,-1.4 3,-0.1 443,-0.3 26,-0.1 -0.811 101.1 -16.8 -97.5 118.2 34.9 95.5 70.1 91 91 A A S S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.901 117.8 94.5 58.3 42.1 34.3 92.7 72.5 92 92 A T S S- 0 0 24 -3,-0.4 -1,-0.3 441,-0.1 3,-0.2 -0.838 80.9-123.7-144.1 176.5 37.5 90.9 71.5 93 93 A T S > S+ 0 0 87 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 0.056 76.5 115.1-112.9 20.8 41.0 90.9 72.9 94 94 A H T > + 0 0 1 -6,-0.4 3,-1.2 1,-0.2 4,-0.5 0.701 57.1 74.9 -64.6 -22.0 42.4 92.0 69.5 95 95 A A T >> S+ 0 0 17 1,-0.3 3,-2.1 -3,-0.2 4,-0.6 0.905 89.4 60.9 -57.2 -39.2 43.6 95.3 70.8 96 96 A E H X> S+ 0 0 49 -3,-1.0 4,-1.5 1,-0.3 3,-0.8 0.765 90.1 68.4 -59.1 -27.5 46.4 93.5 72.6 97 97 A L H <> S+ 0 0 3 -3,-1.2 4,-1.6 -4,-0.4 -1,-0.3 0.731 91.1 62.5 -66.3 -19.2 47.6 92.3 69.2 98 98 A R H <> S+ 0 0 26 -3,-2.1 4,-2.1 -4,-0.5 -1,-0.3 0.816 100.4 52.0 -73.9 -30.1 48.6 95.9 68.5 99 99 A I H <>S+ 0 0 0 -4,-1.6 5,-3.0 2,-0.2 3,-0.5 0.937 109.9 49.5 -66.0 -46.4 52.9 94.4 66.6 102 102 A K H ><5S+ 0 0 94 -4,-2.1 3,-2.5 1,-0.2 -2,-0.2 0.955 108.8 51.0 -57.3 -52.9 54.7 97.3 68.2 103 103 A R H 3<5S+ 0 0 159 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.732 109.3 52.7 -59.4 -21.1 57.1 95.1 70.1 104 104 A A T <<5S- 0 0 44 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.269 121.4-108.5 -96.6 9.7 58.0 93.3 66.8 105 105 A G T < 5S+ 0 0 37 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.697 75.9 135.1 73.0 19.3 58.7 96.7 65.2 106 106 A V < - 0 0 4 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.882 48.7-140.8-105.7 128.8 55.5 96.5 63.0 107 107 A E - 0 0 125 -2,-0.5 -104,-2.3 -106,-0.5 2,-0.3 -0.666 23.4-162.4 -84.4 140.2 53.3 99.6 62.7 108 108 A S E -b 3 0A 14 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.906 11.7-163.7-127.4 155.0 49.6 98.9 62.7 109 109 A Y E -b 4 0A 64 -106,-2.3 -104,-3.1 -2,-0.3 2,-0.5 -0.975 13.2-139.0-134.3 148.8 46.4 100.8 61.6 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.934 9.3-168.2-114.8 126.0 42.8 100.2 62.5 111 111 A I E -b 6 0A 3 -106,-3.2 -104,-2.4 -2,-0.5 -94,-0.1 -0.944 22.0-144.8-111.4 110.4 40.0 100.5 60.0 112 112 A H - 0 0 6 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.161 17.7-175.9 -71.2 166.3 36.6 100.4 61.7 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.935 45.4 -61.7-152.4 164.5 33.4 98.9 60.5 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.288 56.9-158.0 -57.4 136.3 29.8 98.8 61.8 115 115 A S >> - 0 0 0 264,-0.3 4,-2.2 -29,-0.2 3,-1.1 -0.846 29.0-125.1-117.8 153.5 29.6 97.0 65.2 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.843 108.0 70.3 -63.1 -29.9 26.8 95.3 67.1 117 117 A Y H 34 S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.811 111.7 27.2 -57.9 -32.8 27.7 97.7 70.0 118 118 A S H X4 S+ 0 0 0 -3,-1.1 3,-2.2 1,-0.1 -1,-0.2 0.720 107.6 72.7-100.5 -27.2 26.3 100.7 68.1 119 119 A A H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.3 -2,-0.2 0.669 75.1 85.2 -60.9 -13.9 23.8 98.8 66.0 120 120 A V G ><>S+ 0 0 0 -4,-0.9 3,-2.0 1,-0.3 5,-0.5 0.691 70.1 81.4 -60.5 -16.2 21.8 98.5 69.2 121 121 A G G X 5S+ 0 0 1 -3,-2.2 3,-1.7 1,-0.3 -1,-0.3 0.786 75.3 69.7 -60.1 -26.8 20.5 101.9 68.2 122 122 A I G < 5S+ 0 0 5 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.554 85.8 69.2 -70.7 -4.4 18.0 100.2 65.8 123 123 A T G < 5S- 0 0 0 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.576 110.6-118.3 -87.0 -11.0 16.1 98.9 68.8 124 124 A G T < 5S+ 0 0 2 -3,-1.7 2,-0.4 1,-0.3 125,-0.2 0.333 73.4 129.9 91.9 -9.8 15.0 102.4 69.7 125 125 A L S - 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0 0 7 76,-2.8 7,-0.2 1,-0.3 3,-0.2 0.492 38.4-136.7 -99.0 -7.5 28.5 107.9 56.6 275 9 B G B -R 352 0I 2 77,-1.9 77,-3.7 75,-0.4 -1,-0.3 -0.441 34.6 -43.6 90.9-162.0 30.8 106.7 59.3 276 10 B L S S- 0 0 30 5,-0.2 30,-0.3 75,-0.2 -1,-0.2 0.902 107.3 -9.8 -80.9 -52.2 33.5 108.5 61.3 277 11 B Y S S+ 0 0 47 1,-0.3 30,-1.8 -3,-0.2 2,-0.2 0.780 107.7 16.8-126.5 -49.1 35.8 110.8 59.4 278 12 B D S > S- 0 0 18 29,-0.1 3,-2.1 28,-0.1 -1,-0.3 -0.713 81.4 -85.7-127.7-178.9 35.8 111.0 55.6 279 13 B E G > S+ 0 0 49 1,-0.3 3,-0.6 28,-0.2 -261,-0.1 0.657 120.1 61.1 -62.0 -16.5 33.8 110.0 52.6 280 14 B R G 3 S+ 0 0 72 1,-0.2 -261,-2.5 -262,-0.1 -262,-0.5 0.477 81.9 83.1 -89.8 0.4 35.3 106.5 52.5 281 15 B D G < + 0 0 5 -3,-2.1 -1,-0.2 -7,-0.2 -5,-0.2 0.482 68.7 96.2 -81.8 -0.7 33.9 105.7 55.9 282 16 B I S < S- 0 0 1 -3,-0.6 -264,-2.6 -4,-0.1 -263,-0.3 -0.535 84.2-109.4 -81.3 154.3 30.5 104.8 54.4 283 17 B T B > -F 17 0C 0 -10,-0.5 4,-2.6 95,-0.3 -266,-0.3 -0.439 19.3-113.2 -84.9 163.4 30.1 101.0 53.8 284 18 B V H > S+ 0 0 10 -268,-2.5 4,-2.4 -270,-0.3 5,-0.2 0.892 120.8 51.9 -59.5 -39.0 30.1 99.4 50.4 285 19 B K H > S+ 0 0 1 -271,-2.6 4,-2.1 -269,-0.3 -1,-0.2 0.921 110.1 48.2 -63.1 -44.2 26.4 98.5 51.1 286 20 B G H > S+ 0 0 0 -272,-0.3 4,-2.3 92,-0.2 -2,-0.2 0.907 112.6 48.0 -64.0 -42.9 25.6 102.1 52.0 287 21 B L H X S+ 0 0 20 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.949 112.3 47.2 -64.1 -51.0 27.4 103.5 48.9 288 22 B E H X S+ 0 0 82 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.907 114.7 47.0 -60.1 -41.9 25.8 101.1 46.4 289 23 B I H >X S+ 0 0 18 -4,-2.1 3,-0.8 -5,-0.2 4,-0.6 0.913 110.2 52.5 -66.5 -42.1 22.3 101.7 47.8 290 24 B A H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.890 105.1 56.4 -59.9 -40.0 22.7 105.4 47.9 291 25 B K H 3< S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.729 106.8 50.1 -64.5 -23.2 23.7 105.4 44.2 292 26 B K H << S+ 0 0 156 -3,-0.8 -1,-0.3 -4,-0.8 2,-0.2 0.528 89.6 103.1 -92.9 -7.9 20.4 103.6 43.4 293 27 B C << - 0 0 0 -3,-1.1 53,-0.2 -4,-0.6 3,-0.1 -0.526 65.1-145.6 -78.8 142.2 18.3 106.1 45.2 294 28 B D S S+ 0 0 83 51,-1.7 2,-0.4 -2,-0.2 52,-0.2 0.825 87.3 26.9 -73.7 -33.2 16.3 108.8 43.3 295 29 B Y E -p 346 0H 104 50,-1.5 52,-2.2 24,-0.1 2,-0.4 -0.982 67.8-163.3-133.4 144.0 16.8 111.4 46.0 296 30 B V E -p 347 0H 6 24,-0.5 26,-2.2 -2,-0.4 2,-0.3 -0.975 7.8-178.7-133.9 120.8 19.5 111.8 48.7 297 31 B F E -pq 348 322H 4 50,-3.5 52,-3.3 -2,-0.4 2,-0.3 -0.767 3.5-175.1-112.2 160.8 19.3 113.9 51.8 298 32 B A E -pq 349 323H 0 24,-1.7 26,-2.8 -2,-0.3 2,-0.4 -0.988 12.2-154.7-152.4 153.8 21.9 114.4 54.5 299 33 B E E + q 0 324H 0 50,-1.6 26,-0.1 -2,-0.3 24,-0.0 -0.975 10.5 178.0-130.5 144.9 22.2 116.2 57.8 300 34 B F + 0 0 19 24,-0.6 25,-0.1 -2,-0.4 50,-0.1 -0.078 58.9 91.9-139.1 37.4 25.3 117.5 59.4 301 35 B Y S S+ 0 0 13 23,-0.2 135,-0.4 1,-0.1 3,-0.1 0.619 82.9 55.0-104.2 -19.9 24.2 119.1 62.6 302 36 B T S S- 0 0 48 1,-0.3 2,-0.3 134,-0.1 -1,-0.1 0.721 133.2 -23.8 -82.9 -22.4 24.6 116.0 64.9 303 37 B S - 0 0 44 49,-0.0 -1,-0.3 2,-0.0 2,-0.3 -0.955 60.8-130.5-174.1 169.6 28.2 115.9 63.7 304 38 B L - 0 0 28 -2,-0.3 2,-0.6 -3,-0.1 -4,-0.1 -0.852 24.9-120.9-145.6 108.1 30.4 117.0 60.8 305 39 B M > - 0 0 5 -2,-0.3 3,-1.5 1,-0.2 -28,-0.1 -0.174 28.6-171.3 -45.3 93.2 32.9 114.8 58.9 306 40 B A T 3 S+ 0 0 39 -2,-0.6 -1,-0.2 -30,-0.3 -28,-0.1 0.648 79.0 59.2 -67.7 -14.5 36.0 116.8 59.6 307 41 B G T 3 S+ 0 0 17 -30,-1.8 -1,-0.3 -31,-0.1 -28,-0.2 0.267 113.8 22.4 -98.9 13.1 38.1 114.7 57.1 308 42 B T S < S- 0 0 14 -3,-1.5 2,-0.3 -31,-0.2 3,-0.1 -0.840 71.1-120.3-155.3-170.4 35.9 115.4 54.1 309 43 B T > - 0 0 71 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.922 32.1-106.4-140.3 166.6 33.5 117.9 52.5 310 44 B M H > S+ 0 0 61 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.899 121.5 54.9 -59.6 -38.9 29.9 117.9 51.2 311 45 B G H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 106.8 47.4 -62.3 -42.9 31.5 118.1 47.8 312 46 B R H > S+ 0 0 150 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 113.3 48.4 -68.3 -36.5 33.6 115.0 48.2 313 47 B I H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.937 112.8 49.2 -67.4 -42.9 30.7 113.0 49.6 314 48 B Q H X>S+ 0 0 75 -4,-2.6 4,-2.1 1,-0.2 5,-0.9 0.884 111.0 49.1 -62.9 -39.9 28.6 114.2 46.7 315 49 B K H <5S+ 0 0 173 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.875 111.4 50.3 -67.7 -37.6 31.3 113.3 44.1 316 50 B L H <5S+ 0 0 46 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.912 116.0 39.6 -67.3 -44.5 31.7 109.8 45.7 317 51 B I H <5S- 0 0 4 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.807 98.6-138.6 -76.4 -29.6 28.0 109.0 45.7 318 52 B G T <5 + 0 0 60 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.796 66.6 101.7 76.2 28.5 27.4 110.6 42.3 319 53 B K S - 0 0 59 -2,-0.4 4,-1.8 -26,-0.1 5,-0.2 -0.241 34.8 -98.6 -81.5 176.6 18.9 121.5 59.0 326 60 B R H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.900 126.8 47.9 -62.8 -41.8 18.0 120.3 62.5 327 61 B E H >>S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 5,-1.2 0.879 105.2 58.5 -67.6 -38.4 14.6 121.9 62.2 328 62 B D H >5S+ 0 0 41 3,-0.2 4,-0.7 2,-0.2 8,-0.2 0.918 117.5 34.1 -55.0 -45.0 14.0 120.5 58.7 329 63 B V H X5S+ 0 0 1 -4,-1.8 4,-1.7 3,-0.2 -2,-0.2 0.988 122.1 41.5 -74.3 -65.1 14.4 117.0 60.3 330 64 B E H <5S+ 0 0 70 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.822 131.2 24.3 -55.8 -38.3 12.9 117.4 63.7 331 65 B L H <5S+ 0 0 101 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.810 135.4 24.3 -99.3 -33.9 10.0 119.5 62.7 332 66 B N H >XS+ 0 0 0 -4,-1.7 4,-2.0 1,-0.3 5,-1.7 0.889 83.3 51.1 -47.8 -44.4 10.8 115.2 58.2 334 68 B E H 345S+ 0 0 81 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.656 113.9 42.7 -71.2 -16.2 7.4 114.1 57.0 335 69 B N H <45S+ 0 0 106 -3,-1.8 -1,-0.2 -7,-0.2 -2,-0.2 0.650 125.0 32.3-100.6 -21.3 6.9 117.1 54.7 336 70 B I H <5S+ 0 0 27 -4,-2.1 4,-0.3 -8,-0.2 -3,-0.2 0.867 131.6 17.5-101.3 -50.0 10.4 117.1 53.2 337 71 B V T X5S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 3,-0.3 0.896 117.3 55.3 -93.2 -47.3 11.6 113.5 53.0 338 72 B L H >4 S+ 0 0 69 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.938 109.4 42.8 -55.5 -45.9 6.6 112.5 50.5 340 74 B L H >> S+ 0 0 50 -4,-0.3 4,-1.0 -3,-0.3 3,-0.8 0.821 105.0 64.9 -67.9 -31.8 9.3 111.6 48.0 341 75 B A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 32,-0.2 0.624 90.7 68.9 -67.3 -12.1 9.8 108.3 49.7 342 76 B K T << S+ 0 0 84 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.862 115.9 18.2 -75.4 -37.1 6.3 107.3 48.7 343 77 B E T <4 S+ 0 0 164 -3,-0.8 2,-0.3 -4,-0.5 -2,-0.2 0.295 128.5 36.6-117.5 7.6 7.0 107.1 44.9 344 78 B N S < S- 0 0 46 -4,-1.0 -76,-1.1 -76,-0.0 2,-0.5 -0.908 85.4 -94.1-148.3 174.1 10.8 106.8 44.9 345 79 B D E -n 268 0H 58 -2,-0.3 -51,-1.7 -53,-0.2 -50,-1.5 -0.858 47.1-170.1 -94.2 126.6 13.8 105.3 46.8 346 80 B V E -np 269 295H 0 -78,-2.9 -76,-3.1 -2,-0.5 2,-0.4 -0.940 12.6-155.4-123.5 144.3 15.2 107.9 49.2 347 81 B A E -np 270 296H 0 -52,-2.2 -50,-3.5 -2,-0.4 2,-0.5 -0.943 1.8-163.3-119.1 139.5 18.3 108.0 51.2 348 82 B F E -np 271 297H 0 -78,-2.9 -76,-2.3 -2,-0.4 2,-0.3 -0.958 17.4-156.6-122.1 108.3 18.9 110.0 54.4 349 83 B L E +np 272 298H 0 -52,-3.3 -50,-1.6 -2,-0.5 -76,-0.2 -0.652 16.2 171.6 -90.5 142.3 22.6 110.3 55.3 350 84 B T E -n 273 0H 3 -78,-1.8 -76,-2.8 -2,-0.3 -75,-0.4 -0.982 37.2-100.8-144.0 153.1 24.0 110.9 58.7 351 85 B P S S- 0 0 13 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.366 90.5 -1.7 -69.5 156.6 27.5 110.9 60.2 352 86 B G B S-R 275 0I 14 -77,-3.7 -77,-1.9 -79,-0.1 -78,-0.2 -0.343 123.1 -17.2 67.2-142.6 28.4 107.8 62.2 353 87 B D S > S- 0 0 4 -80,-0.2 3,-1.5 -79,-0.1 4,-0.5 -0.858 76.6-111.3-101.8 130.3 25.9 105.0 62.5 354 88 B P T 3 S+ 0 0 1 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.242 99.8 24.3 -59.1 150.5 22.2 105.9 61.8 355 89 B L T 3 S+ 0 0 6 1,-0.1 -228,-0.2 -233,-0.1 6,-0.2 0.540 90.3 103.2 72.7 6.2 19.9 105.9 64.9 356 90 B V < + 0 0 22 -3,-1.5 -229,-0.4 -230,-0.1 -228,-0.2 0.918 60.4 85.2 -80.1 -49.3 22.7 106.5 67.3 357 91 B A S >> S- 0 0 28 -4,-0.5 3,-1.6 1,-0.1 4,-0.6 -0.287 94.7-119.9 -51.5 127.1 21.7 110.2 67.6 358 92 B T T 34 S+ 0 0 61 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.778 105.4 42.6 -41.4 -46.1 18.9 110.1 70.3 359 93 B T T 34 S+ 0 0 64 1,-0.2 4,-0.5 2,-0.1 3,-0.4 0.608 93.8 80.8 -84.3 -10.9 16.1 111.5 68.2 360 94 B H T X> S+ 0 0 2 -3,-1.6 3,-1.7 1,-0.2 4,-0.6 0.873 79.3 65.9 -64.4 -38.8 16.7 109.6 65.0 361 95 B A H >X S+ 0 0 8 -4,-0.6 3,-1.7 -3,-0.3 4,-0.6 0.889 97.0 55.5 -51.8 -42.9 15.0 106.3 66.0 362 96 B E H 3> S+ 0 0 47 -3,-0.4 4,-1.8 -4,-0.3 3,-0.5 0.711 90.0 74.7 -67.6 -15.4 11.6 108.0 66.2 363 97 B L H <> S+ 0 0 3 -3,-1.7 4,-1.8 -4,-0.5 -1,-0.3 0.809 91.4 57.8 -63.9 -26.4 12.0 109.1 62.5 364 98 B R H S+ 0 0 0 -4,-1.8 5,-2.9 2,-0.2 3,-0.5 0.952 110.4 47.5 -60.3 -49.6 8.0 106.7 58.2 368 102 B K H ><5S+ 0 0 102 -4,-2.3 3,-2.9 1,-0.2 -2,-0.2 0.954 108.9 53.7 -55.4 -53.3 5.7 103.9 59.3 369 103 B R H 3<5S+ 0 0 165 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.792 109.2 50.6 -52.3 -30.5 2.8 106.3 60.1 370 104 B A T 3<5S- 0 0 40 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.317 120.1-109.9 -91.8 8.0 3.3 107.6 56.5 371 105 B G T < 5S+ 0 0 37 -3,-2.9 2,-0.5 1,-0.2 -3,-0.2 0.800 74.8 137.2 69.1 28.8 3.1 104.1 55.0 372 106 B V < - 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