==== 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 19-MAR-07 2P6L . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YAMAMOTO,Y.MATSUURA,N.ONO,H.SHIMADA,N.KUNISHIMA,RIKEN STRU . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 70.2 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 . 1 0.2 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 . 72 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 24.5 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 7 0 0 0 4 3 1 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 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 94 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 50.7 55.7 96.7 56.0 2 2 A V E -a 107 0A 18 76,-0.2 78,-2.8 104,-0.1 2,-0.5 -0.815 360.0-128.1-124.6 165.7 52.6 97.4 58.1 3 3 A L E -ab 108 80A 0 104,-2.9 106,-2.3 -2,-0.3 2,-0.5 -0.959 17.7-157.7-116.8 127.4 49.7 95.5 59.7 4 4 A Y E -ab 109 81A 34 76,-3.1 78,-3.1 -2,-0.5 2,-0.8 -0.904 6.7-157.5-107.7 126.0 46.1 96.5 59.2 5 5 A F E -ab 110 82A 0 104,-3.2 106,-3.4 -2,-0.5 2,-0.5 -0.904 25.3-177.2 -97.8 110.9 43.3 95.5 61.6 6 6 A I E -ab 111 83A 0 76,-2.2 78,-1.6 -2,-0.8 2,-0.2 -0.947 18.7-144.5-120.5 122.4 40.2 95.7 59.4 7 7 A G E - b 0 84A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.550 2.2-159.6 -80.2 144.8 36.6 95.1 60.5 8 8 A L - 0 0 3 76,-2.8 7,-0.3 78,-0.4 3,-0.2 0.494 40.8-126.8-100.8 -9.5 34.2 93.4 58.1 9 9 A G B -E 86 0B 1 77,-1.5 77,-3.5 75,-0.4 -1,-0.3 -0.397 33.1 -50.4 96.9-171.6 31.0 94.6 59.8 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.2 0.834 111.9 -2.7 -79.6 -42.9 27.8 93.1 61.2 11 11 A Y S S+ 0 0 50 1,-0.3 30,-2.1 199,-0.2 31,-0.4 0.751 113.0 8.9-125.1 -58.4 26.2 90.7 58.6 12 12 A D S > S- 0 0 18 29,-0.2 3,-2.1 198,-0.2 -1,-0.3 -0.761 78.8 -87.5-130.0 177.8 27.8 90.3 55.1 13 13 A E G > S+ 0 0 34 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.693 118.9 65.2 -61.1 -19.4 30.9 91.2 53.1 14 14 A R G 3 S+ 0 0 63 1,-0.2 271,-2.8 270,-0.1 270,-0.4 0.498 81.4 78.9 -82.6 -1.5 29.4 94.5 52.1 15 15 A D G < S+ 0 0 1 -3,-2.1 -1,-0.2 -7,-0.3 -5,-0.2 0.458 70.6 103.5 -83.4 -0.4 29.4 95.8 55.7 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.4 97,-0.1 269,-0.3 -0.501 81.7-108.9 -76.1 151.1 33.1 96.5 55.3 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.3 95,-0.4 266,-0.3 -0.443 20.7-116.4 -79.5 159.1 33.9 100.2 54.9 18 18 A V H > S+ 0 0 9 264,-2.5 4,-2.7 262,-0.4 5,-0.3 0.910 119.1 54.4 -58.5 -42.1 35.1 101.6 51.5 19 19 A K H > S+ 0 0 2 261,-2.5 4,-1.9 263,-0.3 -1,-0.2 0.911 108.3 48.4 -57.3 -45.6 38.3 102.5 53.3 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -1,-0.2 0.902 112.0 48.9 -63.7 -42.0 38.7 98.9 54.5 21 21 A L H X S+ 0 0 17 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.950 110.8 48.0 -63.7 -51.6 38.1 97.4 51.1 22 22 A E H X S+ 0 0 93 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.867 117.0 43.7 -59.6 -37.5 40.4 99.7 49.1 23 23 A I H >< S+ 0 0 18 -4,-1.9 3,-0.8 -5,-0.3 4,-0.2 0.915 113.1 50.4 -74.5 -43.1 43.2 99.0 51.6 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.862 104.2 60.6 -61.5 -36.5 42.5 95.3 51.9 25 25 A K H 3< S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.777 108.0 43.8 -61.9 -28.8 42.6 95.0 48.1 26 26 A K T << S+ 0 0 153 -3,-0.8 -1,-0.3 -4,-0.7 2,-0.2 0.265 86.8 113.2-102.7 10.5 46.2 96.3 48.0 27 27 A C < - 0 0 0 -3,-1.3 53,-0.2 -4,-0.2 3,-0.1 -0.573 62.4-140.7 -82.5 147.2 47.6 94.2 50.9 28 28 A D S S+ 0 0 85 51,-1.9 2,-0.4 -2,-0.2 52,-0.2 0.917 86.4 21.0 -72.2 -44.2 50.2 91.5 50.0 29 29 A Y E -c 80 0A 110 50,-1.6 52,-2.1 24,-0.1 2,-0.5 -0.970 68.5-158.1-128.7 142.8 48.8 89.0 52.5 30 30 A V E +c 81 0A 7 24,-0.5 26,-2.3 -2,-0.4 2,-0.3 -0.971 12.3 174.9-127.5 121.6 45.4 88.7 54.1 31 31 A F E +cd 82 56A 6 50,-3.4 52,-3.0 -2,-0.5 2,-0.3 -0.765 7.1 174.3-115.1 165.1 44.6 86.8 57.4 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.3 50,-0.3 2,-0.3 -0.985 20.3-146.2-163.9 163.9 41.3 86.6 59.2 33 33 A E - 0 0 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.989 8.2-177.3-138.1 144.6 39.4 85.1 62.2 34 34 A F + 0 0 55 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.165 64.1 88.1-134.4 39.0 35.8 84.1 62.4 35 35 A Y S S+ 0 0 20 23,-0.1 135,-0.4 1,-0.1 3,-0.1 0.543 76.1 65.4-111.4 -12.6 35.5 82.8 66.0 36 36 A T S S- 0 0 12 1,-0.2 2,-0.3 133,-0.1 -2,-0.1 0.657 118.7 -11.3 -84.5 -15.9 34.8 86.1 67.8 37 37 A S - 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.2 -0.968 69.7-103.8-167.7 175.2 31.4 86.6 66.1 38 38 A L - 0 0 35 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.966 11.5-162.0-120.9 124.7 29.2 85.3 63.3 39 39 A M > - 0 0 13 -2,-0.5 3,-1.1 1,-0.1 -28,-0.2 -0.830 16.1-176.4-101.3 91.2 28.6 87.0 60.0 40 40 A A T 3 S+ 0 0 39 -2,-1.0 -28,-0.1 -30,-0.4 -1,-0.1 0.535 70.2 58.2 -69.0 -9.0 25.4 85.2 59.0 41 41 A G T 3 S+ 0 0 16 -30,-2.1 2,-0.2 -31,-0.1 -1,-0.2 0.331 104.0 39.6-107.5 10.9 25.0 86.8 55.6 42 42 A T < - 0 0 22 -3,-1.1 2,-0.3 -31,-0.4 -3,-0.1 -0.845 60.8-137.0-145.8-179.2 28.2 85.9 53.8 43 43 A T > - 0 0 72 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.899 35.4-105.5-137.7 165.5 30.8 83.2 53.2 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.900 120.3 56.7 -60.0 -39.5 34.6 83.1 53.0 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 106.0 48.2 -59.0 -42.9 34.3 82.8 49.3 46 46 A R H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 112.0 49.4 -66.9 -37.8 32.3 85.9 48.9 47 47 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.932 111.9 48.5 -66.3 -45.4 34.7 87.9 51.1 48 48 A Q H X>S+ 0 0 54 -4,-2.7 4,-2.6 1,-0.2 5,-1.1 0.910 110.6 51.9 -60.0 -43.2 37.7 86.7 49.1 49 49 A K H <5S+ 0 0 184 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.931 111.3 46.6 -59.8 -46.9 35.9 87.5 45.8 50 50 A L H <5S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.917 119.0 39.5 -62.5 -45.8 35.2 91.1 47.0 51 51 A I H <5S- 0 0 5 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.756 101.8-133.1 -77.2 -25.3 38.7 91.7 48.2 52 52 A G T <5S+ 0 0 59 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.780 70.7 95.8 77.4 27.6 40.3 89.9 45.3 53 53 A K S - 0 0 35 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.378 34.9-100.0 -87.8 171.2 41.8 79.7 64.9 60 60 A R H > S+ 0 0 108 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.920 126.5 49.8 -58.3 -42.7 41.7 81.2 68.4 61 61 A E H >>S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-1.1 0.924 107.0 53.9 -62.4 -44.6 44.8 79.3 69.2 62 62 A D H >5S+ 0 0 42 3,-0.2 4,-1.1 2,-0.2 7,-0.2 0.943 119.1 35.7 -53.8 -48.4 46.6 80.5 66.1 63 63 A V H X5S+ 0 0 2 -4,-2.3 4,-1.7 3,-0.2 5,-0.2 0.985 120.9 41.6 -69.8 -62.9 45.9 84.1 67.1 64 64 A E H <5S+ 0 0 63 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.820 131.9 23.1 -59.5 -34.8 46.2 84.0 70.9 65 65 A L H <5S+ 0 0 112 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.2 0.768 136.6 25.1-104.0 -29.5 49.2 81.8 71.0 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.0 1,-0.3 5,-1.5 0.931 85.0 49.7 -53.7 -47.4 49.9 85.7 66.2 68 68 A E H 345S+ 0 0 77 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.582 114.4 46.0 -69.0 -9.5 53.5 86.8 66.4 69 69 A N H <45S+ 0 0 102 -3,-1.6 -1,-0.2 -7,-0.2 -2,-0.2 0.674 123.6 29.3-103.4 -25.2 54.7 83.6 64.6 70 70 A I H <5S+ 0 0 29 -4,-2.1 4,-0.4 -3,-0.3 -3,-0.2 0.859 132.5 19.3-101.3 -50.8 52.1 83.5 61.8 71 71 A V T >X5S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.3 3,-0.8 0.931 116.1 55.9 -89.8 -54.1 51.1 87.1 61.0 72 72 A L H 3>4 S+ 0 0 72 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.922 107.9 44.2 -54.8 -42.7 56.7 87.9 60.5 74 74 A L H X> S+ 0 0 49 -3,-0.8 3,-1.5 -4,-0.4 4,-1.0 0.807 104.8 63.2 -70.4 -30.7 55.1 88.7 57.1 75 75 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 32,-0.2 0.631 91.1 68.3 -69.7 -13.0 54.2 92.2 58.3 76 76 A K T << S+ 0 0 79 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.539 117.9 19.2 -83.8 -6.7 57.9 93.0 58.6 77 77 A E T <4 S+ 0 0 159 -3,-1.5 2,-0.3 -4,-0.1 -2,-0.2 0.304 127.9 33.9-141.9 3.3 58.4 92.9 54.9 78 78 A N S < S- 0 0 40 -4,-1.0 2,-0.7 -76,-0.1 -76,-0.2 -0.898 84.7 -91.1-150.3 176.7 54.9 93.3 53.4 79 79 A D - 0 0 47 -2,-0.3 -51,-1.9 -78,-0.2 -50,-1.6 -0.887 49.9-172.8 -97.9 112.7 51.5 95.0 53.9 80 80 A V E -bc 3 29A 0 -78,-2.8 -76,-3.1 -2,-0.7 2,-0.4 -0.865 12.5-159.5-113.6 144.9 49.4 92.6 55.9 81 81 A A E -bc 4 30A 0 -52,-2.1 -50,-3.4 -2,-0.4 2,-0.5 -0.945 4.1-162.4-122.1 142.8 45.7 92.7 56.8 82 82 A F E -bc 5 31A 0 -78,-3.1 -76,-2.2 -2,-0.4 -50,-0.3 -0.959 17.3-159.4-125.3 108.5 43.9 90.9 59.6 83 83 A L E +bc 6 32A 0 -52,-3.0 -50,-1.7 -2,-0.5 -76,-0.2 -0.633 14.0 172.3 -92.6 148.7 40.2 90.8 59.1 84 84 A T E -b 7 0A 0 -78,-1.6 -76,-2.8 -2,-0.2 -75,-0.4 -0.978 37.9 -93.2-148.6 157.1 37.5 90.2 61.8 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.336 92.7 -12.6 -67.9 157.4 33.7 90.3 62.0 86 86 A G B S-E 9 0B 2 -77,-3.5 -77,-1.5 -79,-0.1 -78,-0.4 -0.181 129.0 -14.1 51.4-139.7 32.2 93.6 63.2 87 87 A D > - 0 0 0 446,-2.6 3,-1.2 -80,-0.2 25,-0.1 -0.839 67.4-132.9 -94.9 131.4 34.8 96.0 64.6 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.737 100.9 41.3 -55.1 -27.7 38.2 94.3 65.4 89 89 A L T > S+ 0 0 10 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.450 88.4 103.3-104.0 -0.7 38.6 95.8 68.9 90 90 A V T < S- 0 0 0 -3,-1.2 -3,-0.1 443,-0.3 3,-0.1 -0.747 101.5 -17.7 -90.9 118.2 35.1 95.5 70.3 91 91 A A T 3 S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.863 117.7 95.0 59.1 37.6 34.4 92.7 72.7 92 92 A T S < S- 0 0 23 -3,-0.5 -1,-0.3 441,-0.1 3,-0.2 -0.819 80.6-123.3-140.3 177.5 37.5 90.9 71.7 93 93 A T S > S+ 0 0 89 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.068 77.3 113.7-113.4 21.1 41.1 90.8 73.1 94 94 A H T > + 0 0 0 -6,-0.4 3,-1.7 1,-0.2 4,-0.5 0.746 57.0 75.2 -64.9 -26.2 42.5 91.9 69.8 95 95 A A T >> S+ 0 0 15 1,-0.3 3,-2.0 -3,-0.2 4,-0.6 0.887 89.1 60.1 -53.9 -39.7 43.7 95.3 71.0 96 96 A E H X> S+ 0 0 50 -3,-0.9 4,-1.6 1,-0.3 3,-0.7 0.751 90.7 70.1 -61.2 -23.4 46.6 93.5 72.8 97 97 A L H <> S+ 0 0 2 -3,-1.7 4,-2.0 -4,-0.3 -1,-0.3 0.762 89.3 62.1 -66.5 -23.1 47.7 92.3 69.4 98 98 A R H <> S+ 0 0 25 -3,-2.0 4,-2.2 -4,-0.5 -1,-0.3 0.821 101.2 52.4 -70.0 -30.6 48.7 95.9 68.7 99 99 A I H S+ 0 0 0 -4,-2.0 5,-3.2 2,-0.2 3,-0.2 0.929 110.4 48.2 -62.3 -45.5 52.9 94.2 66.7 102 102 A K H ><5S+ 0 0 98 -4,-2.2 3,-3.0 1,-0.2 -2,-0.2 0.966 109.2 51.3 -59.8 -53.6 54.8 97.1 68.4 103 103 A R H 3<5S+ 0 0 165 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.773 109.2 52.7 -55.8 -26.0 57.2 94.9 70.3 104 104 A A T 3<5S- 0 0 43 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.337 120.5-111.1 -91.3 6.2 57.9 93.2 67.0 105 105 A G T < 5S+ 0 0 43 -3,-3.0 2,-0.5 1,-0.2 -3,-0.2 0.779 73.6 137.5 70.6 27.0 58.7 96.5 65.4 106 106 A V < - 0 0 6 -5,-3.2 2,-0.2 -6,-0.2 -1,-0.2 -0.926 49.7-136.5-111.1 125.0 55.6 96.4 63.2 107 107 A E E -a 2 0A 115 -106,-0.6 -104,-2.9 -2,-0.5 2,-0.3 -0.566 24.9-163.3 -76.6 138.8 53.4 99.5 62.7 108 108 A S E -a 3 0A 15 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.941 11.2-168.5-128.3 150.2 49.7 98.8 62.9 109 109 A Y E -a 4 0A 52 -106,-2.3 -104,-3.2 -2,-0.3 2,-0.5 -0.975 14.9-136.8-134.6 148.7 46.6 100.7 61.8 110 110 A V E -a 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.916 9.9-168.5-113.6 128.4 42.9 100.1 62.6 111 111 A I E -a 6 0A 3 -106,-3.4 -104,-2.4 -2,-0.5 -94,-0.1 -0.954 21.9-147.2-114.0 110.9 40.1 100.3 60.1 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.160 16.4-175.6 -72.7 168.5 36.7 100.3 61.9 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.943 45.1 -59.0-155.3 165.7 33.5 98.8 60.7 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.298 57.4-158.6 -56.8 136.0 29.9 98.7 62.0 115 115 A S >> - 0 0 0 264,-0.3 4,-2.1 -29,-0.2 3,-1.2 -0.869 29.3-126.5-118.6 149.9 29.7 97.0 65.4 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.3 -1,-0.1 0.815 107.9 70.7 -62.0 -26.1 26.9 95.4 67.3 117 117 A Y H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.829 111.4 26.4 -61.3 -34.1 27.8 97.7 70.2 118 118 A S H X4 S+ 0 0 0 -3,-1.2 3,-1.8 1,-0.1 -1,-0.2 0.656 108.0 74.1-101.2 -20.4 26.4 100.8 68.3 119 119 A A H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 -2,-0.2 0.684 74.5 84.5 -65.2 -15.5 23.9 98.8 66.2 120 120 A V G ><> + 0 0 1 -4,-0.9 3,-2.5 1,-0.3 5,-0.5 0.736 69.2 82.0 -58.7 -19.1 21.8 98.6 69.3 121 121 A G G X 5S+ 0 0 2 -3,-1.8 3,-1.8 1,-0.3 -1,-0.3 0.801 76.3 69.6 -56.3 -26.9 20.6 102.0 68.3 122 122 A I G < 5S+ 0 0 5 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.610 85.4 68.5 -69.7 -8.2 18.2 100.2 66.0 123 123 A T G < 5S- 0 0 0 -3,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.544 110.8-118.9 -84.5 -8.0 16.2 98.9 69.1 124 124 A G T < 5S+ 0 0 2 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.339 72.7 131.3 88.1 -9.4 15.1 102.5 69.8 125 125 A L S - 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0 0 7 76,-2.8 7,-0.2 1,-0.3 3,-0.2 0.486 38.8-133.7 -96.9 -7.1 28.6 107.8 56.8 275 9 B G B -R 352 0I 1 77,-2.0 77,-3.4 75,-0.4 -1,-0.3 -0.456 35.3 -47.3 90.0-161.2 31.0 106.5 59.4 276 10 B L S S- 0 0 27 5,-0.2 30,-0.3 75,-0.2 -1,-0.2 0.883 107.7 -7.4 -86.5 -50.3 33.6 108.3 61.5 277 11 B Y S S+ 0 0 46 1,-0.3 30,-2.2 -3,-0.2 31,-0.3 0.774 107.6 14.2-125.5 -54.3 36.0 110.7 59.6 278 12 B D S > S- 0 0 20 29,-0.2 3,-2.1 28,-0.1 -1,-0.3 -0.668 81.5 -83.0-126.3-177.1 35.9 110.9 55.8 279 13 B E G > S+ 0 0 48 1,-0.3 3,-0.5 28,-0.2 -261,-0.1 0.628 120.9 60.7 -62.2 -14.5 34.0 109.9 52.6 280 14 B R G 3 S+ 0 0 59 1,-0.2 -261,-2.5 -262,-0.1 -262,-0.4 0.428 82.2 81.9 -93.1 1.9 35.5 106.4 52.7 281 15 B D G < + 0 0 5 -3,-2.1 -1,-0.2 -7,-0.2 -5,-0.2 0.477 69.1 96.9 -85.1 -0.6 34.0 105.6 56.1 282 16 B I S < S- 0 0 2 -3,-0.5 -264,-2.5 -4,-0.1 -263,-0.3 -0.515 83.5-109.5 -79.5 155.1 30.6 104.7 54.6 283 17 B T B > -F 17 0C 0 -10,-0.5 4,-2.5 -266,-0.3 -266,-0.3 -0.435 18.3-113.8 -86.1 164.8 30.2 101.0 54.0 284 18 B V H > S+ 0 0 8 -268,-2.4 4,-2.5 -270,-0.4 5,-0.2 0.914 121.0 50.3 -60.5 -41.5 30.2 99.2 50.6 285 19 B K H > S+ 0 0 2 -271,-2.8 4,-2.1 -269,-0.3 -1,-0.2 0.918 110.5 48.8 -61.9 -45.4 26.5 98.4 51.3 286 20 B G H > S+ 0 0 0 -272,-0.3 4,-2.3 92,-0.2 -2,-0.2 0.886 113.0 47.5 -63.3 -39.9 25.7 102.0 52.2 287 21 B L H X S+ 0 0 19 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 111.6 48.1 -67.7 -49.1 27.4 103.4 49.1 288 22 B E H X S+ 0 0 77 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.889 114.8 46.8 -61.8 -37.7 25.8 101.0 46.6 289 23 B I H >X S+ 0 0 18 -4,-2.1 3,-0.8 -5,-0.2 4,-0.7 0.935 110.4 51.6 -70.1 -44.4 22.4 101.6 48.1 290 24 B A H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.902 105.6 56.7 -57.9 -41.4 22.8 105.4 48.1 291 25 B K H 3< S+ 0 0 110 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.793 106.3 50.6 -60.8 -28.4 23.8 105.3 44.4 292 26 B K H << S+ 0 0 150 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.540 89.5 103.6 -87.4 -8.6 20.5 103.6 43.6 293 27 B C << - 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0 0 44 -4,-0.1 -1,-0.4 49,-0.0 2,-0.3 -0.963 62.7-121.8-171.1 169.5 28.2 115.8 63.9 304 38 B L - 0 0 13 -2,-0.3 2,-1.4 -3,-0.1 3,-0.1 -0.932 21.4-123.0-126.7 150.3 30.5 116.8 61.0 305 39 B M > - 0 0 13 -2,-0.3 3,-1.7 1,-0.2 -28,-0.1 -0.738 32.0-176.1 -91.6 88.4 32.8 114.6 58.9 306 40 B A T 3 S+ 0 0 42 -2,-1.4 -1,-0.2 -30,-0.3 -28,-0.1 0.628 74.7 58.4 -62.7 -16.4 36.0 116.6 59.6 307 41 B G T 3 S+ 0 0 19 -30,-2.2 -1,-0.3 -31,-0.1 2,-0.2 0.284 114.0 24.2 -98.9 11.7 38.1 114.5 57.3 308 42 B T S < S- 0 0 15 -3,-1.7 2,-0.3 -31,-0.3 3,-0.1 -0.818 72.0-119.3-152.7-169.9 36.1 115.3 54.2 309 43 B T > - 0 0 69 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.931 31.2-108.8-139.1 163.3 33.7 117.7 52.6 310 44 B L H > S+ 0 0 65 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.896 120.9 56.8 -59.0 -37.5 30.2 117.7 51.2 311 45 B G H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 107.3 45.7 -61.2 -43.0 31.7 118.0 47.8 312 46 B R H > S+ 0 0 149 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.861 112.6 50.5 -70.0 -35.3 33.8 114.9 48.2 313 47 B I H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.927 111.6 49.3 -67.5 -42.6 30.9 112.9 49.6 314 48 B Q H X>S+ 0 0 63 -4,-2.7 4,-2.4 1,-0.2 5,-1.0 0.906 109.7 50.4 -61.9 -43.6 28.8 113.9 46.7 315 49 B K H <5S+ 0 0 174 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.893 111.4 49.7 -62.2 -39.9 31.4 113.0 44.2 316 50 B L H <5S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.947 117.7 37.3 -64.5 -50.2 31.8 109.6 45.8 317 51 B I H <5S- 0 0 3 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.750 99.2-138.0 -74.9 -24.0 28.0 108.8 45.8 318 52 B G T <5 + 0 0 61 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.867 67.4 102.6 68.1 36.8 27.5 110.5 42.5 319 53 B K S - 0 0 58 -2,-0.4 4,-2.0 -26,-0.1 5,-0.2 -0.307 35.7 -97.1 -85.1 174.0 19.1 121.5 59.2 326 60 B R H > S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.918 127.7 48.0 -58.2 -43.7 18.1 120.4 62.7 327 61 B E H >>S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-1.3 0.904 105.4 57.8 -65.0 -41.5 14.8 122.0 62.3 328 62 B D H >5S+ 0 0 38 3,-0.2 4,-0.6 2,-0.2 8,-0.2 0.921 118.2 33.7 -52.7 -46.3 14.2 120.4 58.8 329 63 B V H X5S+ 0 0 1 -4,-2.0 4,-1.5 3,-0.2 -2,-0.2 0.985 122.4 40.9 -74.2 -64.0 14.6 117.0 60.5 330 64 B E H <5S+ 0 0 74 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.834 131.5 24.6 -58.1 -37.2 13.1 117.4 63.9 331 65 B L H <5S+ 0 0 101 -4,-2.3 -3,-0.2 -5,-0.4 3,-0.2 0.852 135.0 23.2 -98.3 -40.5 10.2 119.5 62.8 332 66 B N H >XS+ 0 0 0 -4,-1.5 4,-1.8 1,-0.3 5,-1.7 0.889 83.0 51.0 -51.2 -42.5 11.0 115.3 58.4 334 68 B E H 345S+ 0 0 82 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.641 114.1 43.3 -72.2 -14.5 7.5 114.1 57.3 335 69 B N H <45S+ 0 0 106 -3,-1.7 -1,-0.2 -7,-0.2 -2,-0.2 0.660 125.0 31.4-101.4 -22.3 7.1 117.1 54.9 336 70 B I H <5S+ 0 0 25 -4,-2.1 4,-0.4 -8,-0.2 -3,-0.2 0.870 131.8 18.4-100.8 -53.0 10.5 117.1 53.4 337 71 B V T >X5S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.3 3,-0.6 0.926 117.6 54.2 -89.0 -52.1 11.8 113.6 53.3 338 72 B L H 3>4 S+ 0 0 69 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.921 109.2 43.6 -56.3 -41.8 6.7 112.6 50.7 340 74 B L H X> S+ 0 0 47 -3,-0.6 3,-1.0 -4,-0.4 4,-0.7 0.858 105.4 61.7 -69.7 -36.4 9.5 111.7 48.3 341 75 B A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 32,-0.2 0.631 90.1 74.9 -65.7 -12.2 10.0 108.3 49.9 342 76 B K T << S+ 0 0 97 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.869 115.9 11.7 -68.5 -39.1 6.4 107.5 49.0 343 77 B E T <4 S+ 0 0 170 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.157 128.9 45.6-125.7 16.7 7.1 107.0 45.2 344 78 B N S < S- 0 0 46 -4,-0.7 -76,-1.1 -76,-0.0 2,-0.6 -0.939 85.0 -97.5-150.1 169.6 10.9 106.8 45.2 345 79 B D E -n 268 0H 58 -2,-0.3 -51,-2.0 -53,-0.2 -50,-1.5 -0.857 47.5-172.2 -93.8 123.9 13.9 105.3 46.9 346 80 B V E -np 269 295H 0 -78,-2.7 -76,-3.2 -2,-0.6 2,-0.4 -0.935 13.2-155.4-123.4 143.2 15.3 107.9 49.3 347 81 B A E -np 270 296H 0 -52,-2.2 -50,-3.3 -2,-0.4 2,-0.5 -0.918 3.5-163.3-117.8 142.9 18.4 108.0 51.5 348 82 B F E -np 271 297H 0 -78,-3.0 -76,-2.1 -2,-0.4 2,-0.3 -0.944 17.3-158.7-125.2 104.8 19.0 109.9 54.7 349 83 B L E +np 272 298H 0 -52,-3.2 -50,-1.5 -2,-0.5 -76,-0.2 -0.674 13.7 175.3 -89.9 139.5 22.7 110.1 55.5 350 84 B T E -n 273 0H 2 -78,-1.8 -76,-2.8 -2,-0.3 -75,-0.4 -0.990 37.0-101.0-140.7 146.2 24.1 110.8 58.9 351 85 B P S S- 0 0 13 0, 0.0 2,-0.2 0, 0.0 -75,-0.2 -0.344 92.1 -2.6 -63.0 148.4 27.6 111.0 60.3 352 86 B G B S-R 275 0I 15 -77,-3.4 -77,-2.0 -79,-0.1 29,-0.2 -0.467 122.5 -15.7 75.4-140.5 28.5 107.8 62.2 353 87 B D S > S- 0 0 4 -2,-0.2 3,-1.3 -80,-0.2 4,-0.4 -0.878 76.8-108.4-105.6 131.1 26.0 105.0 62.7 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.186 99.7 23.0 -56.9 151.8 22.3 105.8 62.0 355 89 B L T 3 S+ 0 0 6 1,-0.1 -228,-0.3 -233,-0.1 6,-0.2 0.552 90.4 105.7 69.2 8.9 20.0 105.9 65.0 356 90 B V < + 0 0 25 -3,-1.3 -229,-0.4 -230,-0.1 -228,-0.2 0.913 57.4 84.5 -81.4 -46.8 22.8 106.7 67.5 357 91 B A S >> S- 0 0 28 -4,-0.4 3,-1.8 1,-0.1 4,-0.6 -0.349 95.1-118.6 -55.1 128.8 21.8 110.3 67.8 358 92 B T T 34 S+ 0 0 61 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.785 105.9 42.4 -40.8 -47.5 19.1 110.2 70.5 359 93 B T T 34 S+ 0 0 66 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.539 93.7 81.9 -85.0 -5.6 16.2 111.6 68.4 360 94 B H T X> S+ 0 0 3 -3,-1.8 3,-1.7 1,-0.2 4,-0.5 0.872 78.8 63.7 -69.9 -36.7 16.8 109.7 65.2 361 95 B A H >X S+ 0 0 8 -4,-0.6 3,-1.8 -3,-0.4 4,-0.6 0.893 96.6 61.5 -53.4 -39.1 15.1 106.4 66.1 362 96 B E H >> S+ 0 0 50 -4,-0.3 4,-1.6 1,-0.3 3,-0.8 0.762 89.2 70.3 -60.1 -25.2 11.8 108.3 66.4 363 97 B L H <> S+ 0 0 2 -3,-1.7 4,-1.9 -4,-0.4 -1,-0.3 0.767 90.8 60.0 -64.4 -25.5 12.1 109.2 62.7 364 98 B R H S+ 0 0 0 -4,-1.9 5,-3.2 2,-0.2 3,-0.2 0.924 109.8 48.8 -59.7 -44.7 8.1 106.8 58.4 368 102 B K H ><5S+ 0 0 102 -4,-1.9 3,-2.3 1,-0.2 -2,-0.2 0.947 108.9 52.1 -60.1 -49.2 5.7 104.0 59.6 369 103 B R H 3<5S+ 0 0 165 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.777 109.8 51.2 -58.1 -27.3 2.9 106.5 60.2 370 104 B A T 3<5S- 0 0 37 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.369 118.8-112.0 -92.1 4.5 3.4 107.8 56.7 371 105 B G T < 5S+ 0 0 44 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.817 72.7 139.0 69.5 30.2 3.2 104.3 55.3 372 106 B V < - 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