==== 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 22-MAR-07 2EK4 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,H.SHIMADA,M.TAKETA,Y.MATSUURA,N.KUNISHIMA,RIKEN STRU . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 9.4 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 . 38 7.2 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 . 134 25.2 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 4 3 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 0 4 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,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 108.1 55.6 96.9 55.2 2 2 A V E -a 79 0A 12 76,-2.1 78,-3.6 104,-0.1 2,-0.5 -0.974 360.0-134.6-166.6 154.6 52.4 97.4 57.2 3 3 A L E -ab 80 108A 0 104,-2.5 106,-2.2 -2,-0.3 2,-0.5 -0.979 16.5-162.3-121.7 126.8 49.6 95.6 58.8 4 4 A Y E -ab 81 109A 38 76,-3.2 78,-2.9 -2,-0.5 2,-0.8 -0.910 10.1-154.1-109.1 130.4 45.9 96.6 58.5 5 5 A F E -ab 82 110A 0 104,-3.0 106,-3.3 -2,-0.5 2,-0.5 -0.919 27.0-175.0 -99.8 110.1 43.2 95.4 60.8 6 6 A I E -ab 83 111A 0 76,-2.2 78,-1.5 -2,-0.8 2,-0.3 -0.935 18.0-142.3-117.1 123.0 40.1 95.7 58.6 7 7 A G E -a 84 0A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.570 3.8-160.9 -80.1 140.5 36.6 95.0 59.7 8 8 A M - 0 0 3 76,-3.1 7,-0.4 78,-0.3 3,-0.1 0.494 41.1-132.0 -95.9 -7.9 34.2 93.3 57.3 9 9 A G B -E 86 0B 0 77,-1.6 77,-3.1 75,-0.5 -1,-0.3 -0.274 32.4 -45.4 91.1-174.8 31.1 94.5 59.1 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.1 0.881 111.1 -4.7 -65.2 -56.7 27.9 92.9 60.3 11 11 A Y S S+ 0 0 51 1,-0.3 30,-2.1 199,-0.2 31,-0.4 0.823 113.4 8.6-115.9 -54.3 26.2 90.6 57.8 12 12 A D S > S- 0 0 15 29,-0.2 3,-2.0 198,-0.2 -1,-0.3 -0.704 80.2 -86.7-127.6-178.7 27.8 90.2 54.4 13 13 A E G > S+ 0 0 35 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.731 118.6 66.2 -62.1 -22.2 30.9 91.2 52.4 14 14 A R G 3 S+ 0 0 64 1,-0.2 271,-2.6 270,-0.1 272,-0.3 0.522 80.5 79.0 -79.7 -2.2 29.3 94.4 51.4 15 15 A D G < + 0 0 1 -3,-2.0 -1,-0.2 -7,-0.4 2,-0.2 0.419 69.8 104.7 -84.0 2.7 29.4 95.7 55.0 16 16 A I S < S- 0 0 6 -3,-1.0 268,-2.7 97,-0.1 269,-0.3 -0.562 80.7-111.0 -78.1 147.4 33.0 96.5 54.6 17 17 A T B > -F 283 0C 0 -10,-0.5 4,-2.2 95,-0.4 266,-0.3 -0.396 21.5-114.7 -75.8 160.1 33.7 100.2 54.2 18 18 A V H > S+ 0 0 14 264,-2.6 4,-2.7 262,-0.5 5,-0.3 0.906 118.9 56.3 -59.7 -39.9 34.9 101.6 50.9 19 19 A K H > S+ 0 0 2 261,-2.5 4,-2.0 263,-0.3 -1,-0.2 0.940 107.9 46.5 -55.3 -51.1 38.2 102.5 52.7 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -1,-0.2 0.880 112.6 49.9 -61.7 -40.5 38.7 98.9 53.8 21 21 A L H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.943 111.0 47.1 -65.2 -49.3 37.9 97.5 50.4 22 22 A E H X S+ 0 0 72 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.867 116.1 45.9 -62.2 -36.0 40.3 99.8 48.5 23 23 A I H >< S+ 0 0 19 -4,-2.0 3,-0.8 -5,-0.3 4,-0.4 0.940 112.1 49.9 -72.4 -47.2 43.1 99.1 51.0 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.929 104.2 60.0 -55.8 -47.7 42.6 95.3 51.1 25 25 A K H 3< S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.808 108.1 45.3 -50.2 -35.1 42.6 95.2 47.3 26 26 A K T << S+ 0 0 149 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.397 88.4 109.0 -94.7 2.6 46.1 96.6 47.2 27 27 A C < - 0 0 0 -3,-2.0 53,-0.2 -4,-0.4 3,-0.1 -0.456 65.9-137.9 -78.0 153.4 47.6 94.5 50.0 28 28 A D S S+ 0 0 80 51,-2.0 2,-0.4 1,-0.2 52,-0.2 0.873 88.8 20.8 -77.0 -38.3 50.2 91.7 49.2 29 29 A Y E -c 80 0A 110 50,-1.5 52,-2.2 24,-0.1 2,-0.5 -0.985 67.1-158.7-133.9 143.2 48.6 89.2 51.6 30 30 A V E +cd 81 55A 5 24,-0.6 26,-2.3 -2,-0.4 2,-0.3 -0.965 11.4 179.8-128.6 117.8 45.2 89.0 53.1 31 31 A F E +cd 82 56A 8 50,-3.7 52,-3.2 -2,-0.5 2,-0.3 -0.724 6.0 176.7-109.0 162.9 44.4 87.1 56.3 32 32 A A E -cd 83 57A 0 24,-1.9 26,-3.3 50,-0.3 2,-0.3 -0.990 18.5-151.8-163.5 155.5 41.1 86.7 58.1 33 33 A E - 0 0 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.958 6.7-175.2-131.2 149.3 39.2 85.0 61.0 34 34 A F + 0 0 56 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.156 65.6 87.5-135.1 37.4 35.6 84.0 61.3 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.597 74.3 65.0-111.5 -16.4 35.5 82.8 64.9 36 36 A T S S- 0 0 12 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.666 120.0 -11.0 -81.7 -15.5 34.8 86.0 66.8 37 37 A S S S- 0 0 2 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.956 71.9-101.0-165.1 179.6 31.4 86.4 65.2 38 38 A L - 0 0 33 -2,-0.3 2,-1.1 -28,-0.1 3,-0.1 -0.968 13.2-161.7-122.6 122.7 29.1 85.1 62.5 39 39 A M > - 0 0 15 -2,-0.5 3,-1.1 1,-0.1 -28,-0.2 -0.810 15.5-177.5-100.0 90.4 28.6 86.8 59.1 40 40 A A T 3 S+ 0 0 42 -2,-1.1 -1,-0.1 -30,-0.3 -28,-0.1 0.558 71.3 54.7 -67.3 -11.9 25.3 85.0 58.2 41 41 A G T 3 S+ 0 0 16 -30,-2.1 -1,-0.2 -31,-0.1 2,-0.2 0.314 104.3 44.9-109.5 12.0 24.9 86.6 54.8 42 42 A T < - 0 0 19 -3,-1.1 2,-0.3 -31,-0.4 3,-0.1 -0.735 58.1-142.7-139.4-173.3 28.2 85.9 53.0 43 43 A T > - 0 0 72 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.936 35.7-106.5-147.8 165.3 30.9 83.4 52.2 44 44 A L H > S+ 0 0 61 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.930 118.9 57.4 -62.2 -42.7 34.7 83.4 51.9 45 45 A G H > S+ 0 0 41 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.889 105.6 47.0 -54.4 -46.6 34.3 83.1 48.2 46 46 A R H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 114.4 48.7 -65.3 -35.3 32.2 86.3 47.9 47 47 A I H X S+ 0 0 5 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.937 113.9 44.7 -69.0 -48.0 34.7 88.1 50.1 48 48 A Q H X>S+ 0 0 55 -4,-3.4 4,-3.4 2,-0.2 5,-1.0 0.926 113.8 51.1 -61.3 -44.4 37.7 86.9 48.0 49 49 A K H <5S+ 0 0 184 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.925 112.1 46.9 -58.5 -45.2 35.8 87.7 44.8 50 50 A L H <5S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.891 120.2 37.6 -64.5 -42.1 35.1 91.2 46.1 51 51 A I H <5S- 0 0 7 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.769 99.8-136.2 -81.1 -28.2 38.7 91.8 47.3 52 52 A G T <5 + 0 0 61 -4,-3.4 2,-0.3 1,-0.3 -3,-0.2 0.750 67.7 103.6 77.2 24.6 40.2 90.0 44.3 53 53 A K S - 0 0 38 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.420 33.5-101.5 -90.5 171.3 41.8 79.7 63.6 60 60 A R H > S+ 0 0 103 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.906 126.2 49.8 -60.6 -40.1 41.7 81.1 67.1 61 61 A E H >>S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 5,-1.0 0.919 107.2 54.0 -64.8 -43.0 44.8 79.2 67.9 62 62 A D H >5S+ 0 0 41 3,-0.2 4,-0.9 2,-0.2 8,-0.3 0.923 119.2 34.9 -55.7 -45.2 46.6 80.5 64.8 63 63 A V H X5S+ 0 0 1 -4,-2.2 4,-1.6 3,-0.2 5,-0.2 0.979 120.9 43.4 -73.4 -61.1 45.8 84.0 66.0 64 64 A E H <5S+ 0 0 68 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.807 132.4 20.3 -59.0 -33.8 46.1 83.8 69.7 65 65 A L H <5S+ 0 0 110 -4,-2.4 -1,-0.2 -5,-0.4 -3,-0.2 0.702 135.7 28.9-109.8 -23.3 49.2 81.7 69.8 66 66 A N H >XS+ 0 0 0 -4,-1.6 4,-2.0 1,-0.3 5,-1.6 0.938 86.2 49.1 -55.5 -49.4 49.9 85.7 65.0 68 68 A E H 345S+ 0 0 78 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.593 116.7 44.5 -66.9 -9.7 53.5 86.9 65.3 69 69 A N H <45S+ 0 0 100 -3,-1.3 -2,-0.2 -7,-0.2 -1,-0.2 0.718 124.8 28.3-104.0 -29.7 54.6 83.7 63.6 70 70 A I H <5S+ 0 0 30 -4,-2.7 4,-0.4 -8,-0.3 -3,-0.2 0.875 133.3 19.4 -98.0 -50.1 52.1 83.6 60.7 71 71 A V T >X5S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.4 3,-0.8 0.946 116.6 54.2 -89.8 -58.3 51.1 87.2 60.0 72 72 A L H 3>4 S+ 0 0 56 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.933 107.8 43.8 -53.0 -45.5 56.6 87.9 59.6 74 74 A L H X> S+ 0 0 55 -3,-0.8 4,-1.2 -4,-0.4 3,-0.8 0.796 104.4 65.0 -68.8 -28.6 55.0 88.8 56.2 75 75 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 32,-0.2 0.663 90.3 66.9 -69.4 -16.2 54.1 92.3 57.4 76 76 A K T << S+ 0 0 97 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.805 116.5 22.6 -75.2 -29.1 57.8 93.2 57.7 77 77 A E T <4 S+ 0 0 158 -3,-0.8 2,-0.2 -4,-0.4 -2,-0.2 0.423 129.1 30.9-116.3 -2.2 58.4 93.0 53.9 78 78 A N S < S- 0 0 42 -4,-1.2 -76,-2.1 -76,-0.0 2,-0.6 -0.824 84.0 -91.6-144.1-178.5 54.9 93.5 52.6 79 79 A D E -a 2 0A 53 -78,-0.3 -51,-2.0 -2,-0.2 -50,-1.5 -0.914 47.7-171.0-102.2 115.7 51.5 95.1 53.1 80 80 A V E -ac 3 29A 0 -78,-3.6 -76,-3.2 -2,-0.6 2,-0.4 -0.894 13.1-158.9-116.8 143.0 49.3 92.8 55.0 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.7 -2,-0.4 2,-0.5 -0.924 1.2-164.3-117.8 140.3 45.6 92.9 55.9 82 82 A F E -ac 5 31A 0 -78,-2.9 -76,-2.2 -2,-0.4 -50,-0.3 -0.957 15.8-159.4-125.4 109.0 43.8 91.0 58.7 83 83 A L E +ac 6 32A 0 -52,-3.2 -50,-1.9 -2,-0.5 -76,-0.2 -0.634 13.9 172.3 -93.2 147.9 40.0 90.8 58.3 84 84 A T E -a 7 0A 0 -78,-1.5 -76,-3.1 -2,-0.3 -75,-0.5 -0.979 38.3 -91.1-147.1 157.6 37.4 90.2 61.0 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.236 92.5 -13.6 -64.4 163.3 33.7 90.3 61.4 86 86 A G B S-E 9 0B 1 -77,-3.1 -77,-1.6 -79,-0.1 -78,-0.3 -0.071 129.7 -13.8 44.1-137.4 32.1 93.6 62.5 87 87 A D > - 0 0 0 446,-2.9 3,-1.7 -80,-0.2 25,-0.1 -0.859 69.0-132.3 -95.9 128.9 34.7 96.0 63.9 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.680 101.4 42.4 -52.8 -24.6 38.0 94.2 64.6 89 89 A L T 3 S+ 0 0 11 444,-0.1 2,-0.7 5,-0.1 3,-0.4 0.340 87.5 103.8-108.7 7.2 38.5 95.6 68.1 90 90 A V S < S- 0 0 0 -3,-1.7 -3,-0.1 443,-0.3 3,-0.1 -0.815 101.4 -17.5 -97.6 116.9 34.9 95.3 69.5 91 91 A A S S+ 0 0 43 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.881 117.7 94.8 58.5 40.4 34.4 92.4 72.0 92 92 A T S S- 0 0 24 -3,-0.4 -1,-0.3 441,-0.1 3,-0.2 -0.839 79.8-123.1-139.8 177.9 37.5 90.6 70.9 93 93 A T S > S+ 0 0 90 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 0.148 77.4 111.7-111.9 21.2 41.1 90.5 72.1 94 94 A H T > + 0 0 0 -6,-0.4 3,-1.2 1,-0.2 4,-0.4 0.715 60.4 75.3 -66.1 -22.2 42.5 91.7 68.8 95 95 A A T >> S+ 0 0 17 1,-0.3 3,-2.0 -3,-0.2 4,-0.5 0.907 88.9 59.0 -58.4 -38.0 43.6 95.0 70.2 96 96 A E H X> S+ 0 0 55 -3,-1.0 4,-1.4 1,-0.3 3,-0.8 0.752 90.9 71.3 -62.7 -23.7 46.5 93.2 72.0 97 97 A L H <> S+ 0 0 3 -3,-1.2 4,-1.7 -4,-0.4 -1,-0.3 0.699 87.8 63.4 -66.7 -18.2 47.7 92.1 68.6 98 98 A R H <> S+ 0 0 25 -3,-2.0 4,-2.4 -4,-0.4 -1,-0.2 0.824 99.7 52.9 -74.8 -30.5 48.7 95.7 67.9 99 99 A I H <>S+ 0 0 0 -4,-1.7 5,-2.8 2,-0.2 3,-0.8 0.949 110.8 47.6 -62.8 -47.3 52.8 94.2 65.9 102 102 A K H ><5S+ 0 0 102 -4,-2.4 3,-3.5 1,-0.2 -2,-0.2 0.967 108.4 52.4 -56.8 -56.1 54.7 97.0 67.5 103 103 A R H 3<5S+ 0 0 164 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.659 108.4 54.1 -58.9 -15.3 57.2 94.8 69.3 104 104 A A T <<5S- 0 0 30 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.347 120.2-110.1 -98.0 4.6 57.9 93.2 65.9 105 105 A G T < 5S+ 0 0 47 -3,-3.5 2,-0.5 1,-0.2 -3,-0.2 0.745 74.4 137.7 76.5 20.8 58.6 96.6 64.3 106 106 A V < - 0 0 3 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.891 49.2-138.3-106.7 124.3 55.4 96.5 62.3 107 107 A E - 0 0 123 -2,-0.5 -104,-2.5 -106,-0.4 2,-0.4 -0.566 23.8-161.3 -76.1 139.2 53.3 99.6 61.9 108 108 A S E -b 3 0A 15 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.941 11.4-168.6-127.4 148.8 49.5 98.9 62.1 109 109 A Y E -b 4 0A 66 -106,-2.2 -104,-3.0 -2,-0.4 2,-0.5 -0.960 15.4-136.8-131.1 150.2 46.4 100.7 61.1 110 110 A V E -b 5 0A 11 -2,-0.3 2,-0.7 -106,-0.2 -104,-0.2 -0.937 10.1-167.6-115.9 125.5 42.8 100.1 61.9 111 111 A I E -b 6 0A 3 -106,-3.3 -104,-2.4 -2,-0.5 -94,-0.1 -0.933 21.0-146.5-110.4 109.9 39.9 100.3 59.5 112 112 A H - 0 0 8 -2,-0.7 -95,-0.4 -106,-0.2 -92,-0.2 -0.154 16.8-175.8 -71.5 166.9 36.6 100.3 61.3 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.942 44.5 -62.2-153.7 165.3 33.4 98.7 60.0 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.324 57.4-158.1 -59.0 136.4 29.8 98.6 61.3 115 115 A S >> - 0 0 0 264,-0.3 4,-2.1 -29,-0.2 3,-0.9 -0.829 29.2-125.8-117.5 153.9 29.6 96.9 64.7 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.877 108.0 69.6 -62.4 -33.7 26.8 95.1 66.5 117 117 A Y H 34 S+ 0 0 12 1,-0.2 -1,-0.2 2,-0.2 3,-0.0 0.819 111.7 27.6 -54.8 -35.7 27.6 97.4 69.5 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-2.1 1,-0.1 -1,-0.2 0.705 107.4 73.5 -99.5 -24.1 26.3 100.5 67.6 119 119 A A H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.3 -2,-0.2 0.648 74.2 84.0 -63.7 -13.9 23.8 98.6 65.4 120 120 A V G ><> + 0 0 1 -4,-1.0 3,-2.7 1,-0.3 5,-0.5 0.743 69.3 83.8 -58.7 -19.0 21.7 98.3 68.6 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.7 1,-0.3 -1,-0.3 0.828 76.4 68.3 -52.4 -28.9 20.5 101.7 67.6 122 122 A I G < 5S+ 0 0 7 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.634 85.3 68.9 -69.7 -11.6 18.0 100.0 65.3 123 123 A T G < 5S- 0 0 0 -3,-2.7 -1,-0.3 2,-0.2 -2,-0.2 0.579 110.1-119.5 -79.9 -10.4 16.1 98.7 68.3 124 124 A G T < 5S+ 0 0 3 -3,-1.7 2,-0.4 1,-0.3 125,-0.2 0.353 72.3 130.9 91.1 -9.2 15.0 102.2 69.1 125 125 A L S - 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0 0 57 -2,-0.4 4,-2.0 -26,-0.1 5,-0.2 -0.310 35.0 -98.3 -83.4 174.4 18.9 121.2 58.7 326 60 B R H > S+ 0 0 118 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.914 126.8 47.3 -59.7 -44.0 18.0 120.0 62.1 327 61 B E H >>S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 5,-1.1 0.898 105.4 58.3 -65.8 -41.6 14.6 121.7 61.8 328 62 B D H >5S+ 0 0 39 3,-0.2 4,-1.1 2,-0.2 7,-0.2 0.941 117.7 34.5 -51.3 -48.1 14.0 120.3 58.3 329 63 B V H X5S+ 0 0 1 -4,-2.0 4,-1.6 3,-0.2 -2,-0.2 0.990 122.6 40.7 -71.2 -63.8 14.4 116.8 59.8 330 64 B E H <5S+ 0 0 77 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.848 131.1 25.3 -57.0 -41.0 12.9 117.1 63.3 331 65 B L H <5S+ 0 0 104 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.784 135.7 22.8 -97.5 -30.0 9.9 119.3 62.2 332 66 B N H >XS+ 0 0 0 -4,-1.6 4,-2.1 1,-0.3 5,-1.7 0.899 83.8 50.1 -49.3 -45.5 10.8 115.0 57.7 334 68 B E H 345S+ 0 0 80 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.647 114.6 44.0 -70.6 -15.2 7.4 113.9 56.6 335 69 B N H <45S+ 0 0 105 -3,-1.7 -1,-0.2 -7,-0.2 -2,-0.2 0.654 125.3 29.8-100.9 -21.6 6.9 116.9 54.4 336 70 B I H <5S+ 0 0 27 -4,-2.2 4,-0.3 -8,-0.2 -3,-0.2 0.836 132.5 20.1-104.0 -48.1 10.4 117.0 52.8 337 71 B V T X5S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.4 3,-0.4 0.921 117.4 52.9 -91.4 -52.1 11.7 113.4 52.7 338 72 B L H >> S+ 0 0 67 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.930 109.9 42.0 -53.2 -45.8 6.6 112.4 50.1 340 74 B L H >> S+ 0 0 52 -3,-0.4 4,-0.8 -4,-0.3 3,-0.7 0.836 106.4 62.9 -69.4 -32.3 9.3 111.5 47.6 341 75 B A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 32,-0.2 0.666 91.5 69.5 -67.2 -15.7 9.9 108.2 49.3 342 76 B K H << S+ 0 0 85 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.883 116.0 18.7 -69.2 -40.7 6.4 107.2 48.3 343 77 B E H << S+ 0 0 160 -3,-0.7 2,-0.3 -4,-0.5 -2,-0.2 0.260 128.0 38.6-115.7 11.1 7.1 107.0 44.6 344 78 B N S < S- 0 0 43 -4,-0.8 -76,-1.4 -49,-0.0 2,-0.6 -0.896 84.5 -95.0-149.2 175.8 10.9 106.7 44.5 345 79 B D E -n 268 0H 57 -2,-0.3 -51,-2.2 -53,-0.2 -50,-1.4 -0.901 49.0-172.9 -97.6 120.4 13.9 105.1 46.2 346 80 B V E -np 269 295H 0 -78,-3.0 -76,-3.1 -2,-0.6 2,-0.4 -0.923 14.1-155.0-121.4 144.9 15.2 107.7 48.7 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.5 -2,-0.4 2,-0.5 -0.935 2.4-163.6-118.5 140.6 18.3 107.8 50.8 348 82 B F E -np 271 297H 0 -78,-2.9 -76,-1.9 -2,-0.4 2,-0.3 -0.947 17.5-158.3-123.4 105.2 18.9 109.8 54.0 349 83 B L E +np 272 298H 0 -52,-3.5 -50,-1.6 -2,-0.5 -76,-0.2 -0.650 14.6 173.5 -90.1 142.1 22.6 110.0 54.9 350 84 B T E -n 273 0H 4 -78,-1.7 -76,-2.9 -2,-0.3 -75,-0.4 -0.989 37.7 -98.9-143.6 148.5 24.0 110.7 58.3 351 85 B P S S- 0 0 14 0, 0.0 -75,-0.2 0, 0.0 2,-0.2 -0.354 91.9 -2.3 -64.5 147.6 27.5 110.8 59.8 352 86 B G B S-R 275 0I 14 -77,-3.5 -77,-1.8 29,-0.1 29,-0.2 -0.474 122.2 -16.6 75.4-142.0 28.4 107.6 61.7 353 87 B D S > S- 0 0 4 -2,-0.2 3,-1.3 -80,-0.2 4,-0.4 -0.875 77.4-107.7-104.6 131.6 25.9 104.8 62.0 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.186 99.8 21.7 -57.4 148.7 22.2 105.5 61.4 355 89 B L T 3 S+ 0 0 7 1,-0.1 -228,-0.3 -233,-0.1 6,-0.2 0.557 90.2 106.3 70.7 8.5 19.8 105.7 64.4 356 90 B V < + 0 0 24 -3,-1.3 -229,-0.4 -230,-0.1 -228,-0.2 0.911 58.1 85.8 -79.5 -46.5 22.6 106.3 66.8 357 91 B A S >> S- 0 0 27 -4,-0.4 3,-1.7 1,-0.1 4,-0.6 -0.339 94.3-119.5 -55.4 126.2 21.6 110.0 67.2 358 92 B T T 34 S+ 0 0 61 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.762 105.7 40.0 -37.7 -47.7 18.9 109.9 69.9 359 93 B T T >> S+ 0 0 63 1,-0.2 3,-0.6 2,-0.1 4,-0.5 0.621 95.0 81.1 -84.9 -13.3 16.0 111.3 67.8 360 94 B H H X> S+ 0 0 3 -3,-1.7 3,-1.5 1,-0.2 4,-0.6 0.848 79.7 63.7 -65.5 -37.4 16.6 109.5 64.5 361 95 B A H >X S+ 0 0 8 -4,-0.6 3,-1.7 -3,-0.3 4,-0.6 0.890 96.1 61.3 -55.1 -35.4 15.0 106.1 65.4 362 96 B E H X> S+ 0 0 51 -3,-0.6 4,-1.6 1,-0.3 3,-0.8 0.769 88.7 71.7 -61.7 -28.4 11.6 107.9 65.7 363 97 B L H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 3,-0.6 0.965 111.1 47.1 -59.9 -54.4 8.0 106.4 57.7 368 102 B K H ><5S+ 0 0 100 -4,-2.5 3,-2.8 1,-0.3 -2,-0.2 0.948 110.1 52.9 -50.9 -55.7 5.8 103.5 58.8 369 103 B R H 3<5S+ 0 0 164 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.793 109.0 51.1 -51.2 -32.9 2.9 105.9 59.5 370 104 B A T <<5S- 0 0 41 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.326 120.1-109.1 -89.8 7.4 3.3 107.4 56.0 371 105 B G T < 5S+ 0 0 34 -3,-2.8 2,-0.5 1,-0.2 -3,-0.2 0.809 74.5 138.0 70.5 29.4 3.2 103.9 54.4 372 106 B V < - 0 0 5 -5,-2.6 -1,-0.2 -6,-0.2 -104,-0.2 -0.939 50.0-134.8-113.5 126.3 6.8 104.1 53.5 373 107 B E E -o 268 0H 88 -106,-1.9 -104,-3.2 -2,-0.5 2,-0.4 -0.485 24.8-165.5 -73.6 145.2 9.2 101.1 53.9 374 108 B S E -o 269 0H 15 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.997 10.3-172.9-138.0 142.9 12.5 101.9 55.5 375 109 B Y E -o 270 0H 48 -106,-2.1 -104,-2.8 -2,-0.4 2,-0.5 -0.949 18.9-131.8-131.0 151.3 15.8 99.9 55.7 376 110 B V E -o 271 0H 8 -2,-0.3 2,-0.7 -164,-0.2 -104,-0.2 -0.918 11.4-166.7-112.5 126.3 18.9 100.7 57.7 377 111 B I E -o 272 0H 4 -106,-3.4 -104,-2.3 -2,-0.5 -94,-0.1 -0.926 23.5-144.5-110.0 107.1 22.4 100.5 56.1 378 112 B H + 0 0 3 -2,-0.7 -95,-0.3 -106,-0.2 -92,-0.2 -0.183 21.6 174.8 -71.4 161.1 25.0 100.6 58.9 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -264,-0.1 -266,-0.1 -0.929 45.8 -57.8-154.8 168.5 28.4 102.2 59.0 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.289 52.0-162.6 -58.0 135.2 31.2 102.7 61.6 381 115 B S >> - 0 0 3 -268,-0.3 4,-2.8 -29,-0.2 3,-1.2 -0.881 29.8-124.7-119.2 151.5 30.2 104.6 64.7 382 116 B I H 3> S+ 0 0 31 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.819 108.9 70.9 -62.3 -29.0 32.3 106.4 67.3 383 117 B Y H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.823 114.5 23.7 -56.3 -34.1 30.6 104.2 69.9 384 118 B S H X4 S+ 0 0 0 -3,-1.2 3,-1.7 2,-0.1 -2,-0.2 0.719 114.5 67.1-101.8 -30.4 32.4 101.1 68.5 385 119 B A H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.756 83.5 74.3 -62.9 -26.7 35.4 103.0 67.0 386 120 B V G ><>S+ 0 0 0 -4,-1.8 3,-2.4 1,-0.3 5,-0.5 0.638 72.2 87.2 -63.9 -9.7 36.6 104.0 70.5 387 121 B G G X 5S+ 0 0 1 -3,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.731 71.9 74.5 -57.5 -19.5 37.7 100.4 70.7 388 122 B I G < 5S+ 0 0 4 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.631 80.0 70.5 -71.0 -11.1 40.9 101.6 69.1 389 123 B T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.575 113.0-117.0 -77.7 -10.1 41.8 103.2 72.4 390 124 B G T < 5S+ 0 0 5 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.394 72.5 133.2 91.7 -6.3 42.4 99.7 73.8 391 125 B L < - 0 0 3 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.660 66.7-107.5 -80.6 132.7 39.6 100.0 76.4 392 126 B H > - 0 0 41 -2,-0.4 3,-1.1 1,-0.1 4,-0.2 -0.372 21.5-138.7 -61.0 129.4 37.3 96.9 76.4 393 127 B I G > S+ 0 0 3 -304,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.846 99.0 60.7 -60.5 -34.7 34.0 97.8 74.9 394 128 B Y G 3 S+ 0 0 103 1,-0.3 -261,-2.3 -262,-0.1 -1,-0.3 0.766 96.0 63.3 -67.3 -21.1 32.0 95.9 77.5 395 129 B K G < S+ 0 0 21 -3,-1.1 32,-3.0 -263,-0.2 2,-0.3 0.447 77.1 107.0 -83.0 -0.3 33.4 98.1 80.3 396 130 B F B < -s 427 0J 4 -3,-1.6 32,-0.2 30,-0.2 -263,-0.2 -0.611 50.4-172.3 -78.6 138.2 31.8 101.3 78.9 397 131 B G - 0 0 1 30,-3.0 32,-0.2 1,-0.3 -267,-0.1 0.002 46.9 -18.8-106.1-146.2 28.9 102.5 81.0 398 132 B K - 0 0 72 19,-0.2 -1,-0.3 -269,-0.1 31,-0.3 -0.306 68.7-138.7 -60.5 144.1 26.4 105.3 80.5 399 133 B S + 0 0 4 -271,-1.9 2,-0.3 -269,-0.2 31,-0.2 -0.711 23.3 178.6-105.4 158.0 27.5 107.8 77.9 400 134 B A E -t 430 0K 14 29,-2.1 31,-3.1 -2,-0.3 2,-0.4 -0.934 25.1-120.4-151.0 172.9 27.2 111.6 78.0 401 135 B T E -t 431 0K 77 -2,-0.3 2,-0.7 29,-0.2 13,-0.2 -0.977 20.0-135.7-123.3 130.2 27.9 114.9 76.2 402 136 B V E -t 432 0K 0 29,-3.5 31,-1.4 -2,-0.4 2,-0.3 -0.765 29.5-162.3 -84.7 114.7 29.9 117.8 77.7 403 137 B A - 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