==== 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 28-JUL-06 2DV5 . 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) . 21623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 10.9 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 . 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 . 43 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.8 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 3 4 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 0 2 4 2 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 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 0 145 0, 0.0 106,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -10.8 55.8 98.0 54.5 2 2 A V E -ab 79 107A 7 76,-0.8 78,-2.9 104,-0.1 2,-0.4 -0.965 360.0-140.2-145.9 159.1 52.5 98.1 56.4 3 3 A L E -ab 80 108A 0 104,-2.4 106,-2.3 -2,-0.3 2,-0.4 -0.980 18.5-160.5-120.2 129.9 49.8 96.1 58.1 4 4 A Y E -ab 81 109A 33 76,-2.6 78,-2.9 -2,-0.4 2,-0.7 -0.923 10.5-154.5-112.9 134.0 46.1 97.1 57.8 5 5 A F E -ab 82 110A 0 104,-3.0 106,-3.3 -2,-0.4 2,-0.5 -0.938 26.4-175.7-103.5 109.9 43.3 95.9 60.1 6 6 A I E -ab 83 111A 0 76,-2.3 78,-1.6 -2,-0.7 2,-0.2 -0.940 17.3-142.7-118.1 121.8 40.2 96.2 57.9 7 7 A G E -a 84 0A 0 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.491 4.5-161.3 -78.3 147.1 36.7 95.5 59.1 8 8 A L - 0 0 4 76,-2.5 7,-0.3 78,-0.5 3,-0.2 0.523 38.9-131.7-103.9 -9.7 34.3 93.7 56.7 9 9 A G B -E 86 0B 1 77,-1.8 77,-3.5 75,-0.4 -1,-0.3 -0.350 32.4 -47.9 94.5-173.3 31.1 94.8 58.5 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.1 0.868 110.2 -3.8 -72.3 -50.3 27.9 93.2 59.7 11 11 A Y S S+ 0 0 52 1,-0.3 30,-2.4 199,-0.2 31,-0.3 0.799 111.7 10.7-120.8 -51.8 26.3 90.9 57.1 12 12 A D S > S- 0 0 18 29,-0.2 3,-2.1 198,-0.2 -1,-0.3 -0.763 79.0 -87.5-130.3 178.7 27.8 90.6 53.6 13 13 A E G > S+ 0 0 36 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.693 118.5 64.2 -60.5 -19.7 30.8 91.6 51.6 14 14 A R G 3 S+ 0 0 67 1,-0.2 271,-2.8 270,-0.1 272,-0.3 0.489 81.2 80.2 -85.1 1.3 29.4 94.9 50.7 15 15 A D G < + 0 0 2 -3,-2.1 -1,-0.2 -7,-0.3 -5,-0.2 0.466 68.9 103.3 -83.4 -2.0 29.4 96.0 54.3 16 16 A I S < S- 0 0 2 -3,-0.9 268,-2.6 -4,-0.1 269,-0.3 -0.504 82.9-108.6 -74.4 149.2 33.1 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 -0.428 21.3-115.3 -77.5 158.8 33.7 100.6 53.6 18 18 A V H > S+ 0 0 11 264,-2.6 4,-3.0 262,-0.4 5,-0.3 0.918 119.8 53.8 -57.4 -41.5 34.9 102.0 50.3 19 19 A K H > S+ 0 0 14 261,-2.6 4,-2.3 263,-0.3 5,-0.3 0.947 107.9 49.5 -57.1 -50.8 38.1 103.0 52.0 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -1,-0.2 0.911 113.3 46.4 -56.3 -45.6 38.6 99.4 53.2 21 21 A L H X S+ 0 0 11 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.955 110.9 49.8 -64.7 -51.1 37.9 98.0 49.7 22 22 A E H X S+ 0 0 64 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.880 116.5 43.7 -57.0 -37.5 40.2 100.4 47.8 23 23 A I H >< S+ 0 0 28 -4,-2.3 3,-0.8 -5,-0.3 4,-0.5 0.920 112.3 50.9 -73.9 -44.4 43.0 99.7 50.3 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 -5,-0.3 -2,-0.2 0.883 103.4 60.9 -60.7 -37.7 42.5 95.9 50.4 25 25 A K H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.5 45.4 -59.0 -30.3 42.5 95.8 46.5 26 26 A K T << S+ 0 0 150 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.416 87.5 109.7 -96.1 -0.2 46.1 97.2 46.5 27 27 A C < - 0 0 1 -3,-1.3 53,-0.2 -4,-0.5 3,-0.1 -0.404 62.7-141.9 -75.5 155.2 47.6 95.0 49.2 28 28 A D S S+ 0 0 86 51,-2.6 2,-0.4 1,-0.3 52,-0.2 0.846 86.7 24.4 -83.3 -37.3 50.2 92.3 48.3 29 29 A Y E -c 80 0A 106 50,-1.6 52,-2.4 24,-0.1 2,-0.5 -0.991 67.0-162.6-132.6 138.6 48.9 89.8 50.9 30 30 A V E +cd 81 55A 7 24,-0.6 26,-2.4 -2,-0.4 2,-0.3 -0.963 10.9 174.7-127.6 118.3 45.5 89.4 52.5 31 31 A F E +cd 82 56A 8 50,-3.3 52,-2.8 -2,-0.5 2,-0.3 -0.738 6.9 179.5-112.0 165.0 44.7 87.4 55.6 32 32 A A E -cd 83 57A 0 24,-1.9 26,-3.4 50,-0.3 2,-0.3 -0.988 19.5-148.3-160.8 160.6 41.4 87.1 57.5 33 33 A E E - d 0 58A 0 50,-2.0 26,-0.1 -2,-0.3 24,-0.0 -0.979 8.7-179.1-132.8 144.5 39.7 85.5 60.5 34 34 A F + 0 0 59 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.068 62.7 88.1-134.9 33.6 36.1 84.5 60.7 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.613 74.4 66.4-105.9 -16.8 35.8 83.1 64.2 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.717 117.8 -7.7 -77.8 -20.6 35.1 86.3 66.1 37 37 A S S S- 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.970 70.8-103.3-162.2 175.1 31.7 86.7 64.5 38 38 A L - 0 0 30 -2,-0.3 2,-1.0 -28,-0.1 -3,-0.1 -0.946 12.7-163.0-118.8 122.7 29.3 85.4 61.8 39 39 A M > - 0 0 17 -2,-0.5 3,-0.8 1,-0.1 -28,-0.2 -0.865 14.7-177.7 -99.4 98.1 28.7 87.1 58.4 40 40 A A T 3 + 0 0 39 -2,-1.0 -28,-0.1 -30,-0.4 -1,-0.1 0.495 69.2 57.5 -78.7 -5.5 25.5 85.3 57.4 41 41 A G T 3 S+ 0 0 20 -30,-2.4 2,-0.2 -31,-0.1 -1,-0.2 0.251 104.3 36.4-112.7 16.2 25.0 87.0 54.1 42 42 A T < - 0 0 22 -3,-0.8 2,-0.3 -31,-0.3 3,-0.1 -0.825 62.5-131.6-148.9-174.1 28.2 86.2 52.2 43 43 A T > - 0 0 70 -2,-0.2 4,-1.8 1,-0.1 3,-0.2 -0.938 33.4-108.2-142.5 161.5 30.9 83.6 51.5 44 44 A L H > S+ 0 0 67 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.925 119.5 58.7 -57.0 -42.7 34.7 83.7 51.4 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 105.2 46.9 -54.4 -43.5 34.4 83.3 47.7 46 46 A R H > S+ 0 0 144 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.844 112.1 50.6 -70.4 -32.4 32.4 86.5 47.3 47 47 A I H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.941 111.2 47.9 -69.3 -46.7 34.8 88.4 49.5 48 48 A Q H X>S+ 0 0 55 -4,-2.9 4,-2.5 1,-0.2 5,-1.2 0.910 112.2 50.9 -58.6 -43.0 37.8 87.2 47.5 49 49 A K H <5S+ 0 0 178 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.958 111.1 47.1 -60.1 -51.4 36.0 88.2 44.3 50 50 A L H <5S+ 0 0 50 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.916 120.6 37.5 -56.8 -46.9 35.2 91.7 45.5 51 51 A I H <5S- 0 0 4 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.736 101.0-137.3 -78.9 -22.4 38.7 92.3 46.7 52 52 A G T <5 + 0 0 53 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.884 66.7 102.1 67.1 39.1 40.2 90.4 43.8 53 53 A K S - 0 0 41 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.433 34.1 -96.8 -94.7 173.0 42.2 80.2 62.9 60 60 A R H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.882 127.1 46.7 -58.6 -37.8 42.0 81.4 66.5 61 61 A E H >>S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 5,-1.0 0.893 107.5 55.7 -72.3 -38.4 45.3 79.7 67.3 62 62 A D H >5S+ 0 0 46 3,-0.2 4,-1.1 2,-0.2 8,-0.3 0.923 118.1 36.1 -57.0 -44.6 47.0 81.0 64.2 63 63 A V H X5S+ 0 0 1 -4,-2.3 4,-1.7 3,-0.2 5,-0.3 0.993 122.6 39.9 -70.9 -67.4 46.2 84.5 65.3 64 64 A E H <5S+ 0 0 85 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.798 131.7 27.1 -55.2 -33.9 46.5 84.3 69.1 65 65 A A H <5S+ 0 0 45 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.833 135.9 18.9-100.7 -38.5 49.6 82.1 68.9 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.3 1,-0.3 5,-1.6 0.942 86.2 50.5 -57.5 -45.2 50.1 86.2 64.3 68 68 A E H 345S+ 0 0 77 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.580 116.6 41.9 -68.5 -10.6 53.7 87.5 64.6 69 69 A N H <45S+ 0 0 102 -3,-1.3 -2,-0.2 -7,-0.2 -1,-0.2 0.717 124.9 31.6-105.2 -31.7 55.0 84.4 62.8 70 70 A I H <5S+ 0 0 29 -4,-3.0 4,-0.3 -8,-0.3 -3,-0.2 0.875 132.4 19.3 -94.2 -47.4 52.4 84.2 60.0 71 71 A V T >X5S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.4 3,-0.7 0.934 115.9 55.1 -92.7 -54.8 51.3 87.8 59.3 72 72 A L H 3>4 S+ 0 0 61 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.922 106.9 43.8 -50.6 -47.1 56.9 88.8 58.7 74 74 A L H X> S+ 0 0 54 -3,-0.7 3,-1.5 -4,-0.3 4,-1.4 0.818 101.7 68.8 -67.4 -31.2 55.3 89.6 55.3 75 75 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 32,-0.2 0.613 89.1 66.4 -64.4 -12.0 54.3 93.0 56.5 76 76 A K T << S+ 0 0 113 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.721 117.0 21.2 -82.9 -21.6 58.0 94.0 56.6 77 77 A E T <4 S+ 0 0 152 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.384 127.2 37.6-124.2 -1.5 58.4 93.8 52.8 78 78 A N S < S- 0 0 41 -4,-1.4 -76,-0.8 -76,-0.1 2,-0.7 -0.932 83.0 -98.0-146.5 168.2 54.8 94.1 51.6 79 79 A D E -a 2 0A 53 -2,-0.3 -51,-2.6 -78,-0.2 -50,-1.6 -0.822 50.2-174.5 -89.6 116.4 51.5 95.8 52.1 80 80 A V E -ac 3 29A 0 -78,-2.9 -76,-2.6 -2,-0.7 2,-0.4 -0.917 13.1-158.7-119.8 144.5 49.4 93.3 54.1 81 81 A A E -ac 4 30A 0 -52,-2.4 -50,-3.3 -2,-0.4 2,-0.5 -0.931 6.1-159.8-122.8 145.3 45.8 93.3 55.2 82 82 A F E -ac 5 31A 0 -78,-2.9 -76,-2.3 -2,-0.4 2,-0.3 -0.975 18.0-158.4-123.3 111.9 44.0 91.4 58.0 83 83 A L E +ac 6 32A 0 -52,-2.8 -50,-2.0 -2,-0.5 -76,-0.2 -0.700 14.5 172.2 -95.6 144.4 40.2 91.2 57.5 84 84 A T E -a 7 0A 0 -78,-1.6 -76,-2.5 -2,-0.3 -75,-0.4 -0.963 37.0 -94.6-144.3 160.1 37.6 90.6 60.2 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.337 91.7 -11.7 -70.5 160.5 33.9 90.6 60.6 86 86 A G B S-E 9 0B 1 -77,-3.5 -77,-1.8 -79,-0.1 -78,-0.5 -0.162 129.5 -14.3 49.4-138.2 32.2 93.8 61.8 87 87 A D > - 0 0 0 446,-2.6 3,-1.8 -80,-0.2 25,-0.1 -0.865 67.9-132.0 -97.5 129.2 34.8 96.3 63.2 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.3 0, 0.0 7,-0.1 0.691 101.3 40.4 -51.6 -27.3 38.2 94.7 63.9 89 89 A L T 3 S+ 0 0 10 5,-0.1 2,-0.5 444,-0.1 3,-0.3 0.248 89.9 102.4-111.1 13.3 38.7 96.1 67.4 90 90 A V S < S- 0 0 0 -3,-1.8 3,-0.1 1,-0.2 -3,-0.1 -0.869 100.6 -14.6-102.5 126.3 35.2 95.7 68.8 91 91 A A S S+ 0 0 42 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.845 117.7 96.5 51.8 37.9 34.5 92.8 71.2 92 92 A T S S- 0 0 21 -3,-0.3 3,-0.3 441,-0.1 -1,-0.2 -0.890 79.0-126.7-139.0 169.3 37.8 91.1 70.1 93 93 A T S > S+ 0 0 90 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 0.031 76.7 112.5-104.5 27.4 41.3 91.0 71.5 94 94 A H T >> + 0 0 1 -6,-0.3 3,-1.7 1,-0.2 4,-0.5 0.770 57.9 76.4 -72.0 -23.4 42.7 92.2 68.2 95 95 A A H >> S+ 0 0 17 1,-0.3 3,-2.2 -3,-0.3 4,-0.6 0.932 88.8 58.7 -52.4 -43.6 43.8 95.5 69.6 96 96 A E H X> S+ 0 0 53 -3,-0.6 4,-1.4 1,-0.3 3,-0.6 0.751 91.3 70.8 -58.5 -23.8 46.7 93.8 71.3 97 97 A L H <> S+ 0 0 3 -3,-1.7 4,-1.7 -4,-0.3 -1,-0.3 0.740 89.0 61.6 -67.1 -20.9 47.9 92.6 67.9 98 98 A R H S+ 0 0 0 -4,-1.7 5,-3.2 2,-0.2 -2,-0.2 0.930 110.2 48.1 -64.0 -44.9 53.1 94.8 65.0 102 102 A K H ><5S+ 0 0 99 -4,-2.4 3,-2.9 3,-0.2 -2,-0.2 0.961 110.0 49.9 -60.1 -54.5 54.9 97.7 66.7 103 103 A R H 3<5S+ 0 0 172 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 109.4 53.7 -55.2 -33.3 57.4 95.5 68.5 104 104 A A T 3<5S- 0 0 28 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.375 121.6-110.8 -82.1 5.3 58.0 93.8 65.2 105 105 A G T < 5S+ 0 0 64 -3,-2.9 2,-0.5 1,-0.2 -3,-0.2 0.821 74.3 135.3 70.4 31.7 58.8 97.1 63.6 106 106 A V < - 0 0 4 -5,-3.2 2,-0.2 -6,-0.1 -1,-0.2 -0.959 50.3-138.4-117.6 123.9 55.6 97.1 61.5 107 107 A E E -b 2 0A 121 -106,-0.7 -104,-2.4 -2,-0.5 2,-0.3 -0.577 25.0-162.7 -76.1 138.5 53.4 100.2 61.2 108 108 A S E -b 3 0A 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.928 9.6-164.5-126.4 151.0 49.7 99.3 61.3 109 109 A Y E -b 4 0A 62 -106,-2.3 -104,-3.0 -2,-0.3 2,-0.5 -0.952 13.0-136.7-131.5 152.1 46.5 101.2 60.4 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 367,-0.2 -104,-0.2 -0.939 11.0-170.4-117.5 128.2 42.9 100.6 61.2 111 111 A I E -b 6 0A 3 -106,-3.3 -104,-2.3 -2,-0.5 -94,-0.1 -0.965 22.1-145.0-113.6 115.7 39.9 100.8 58.8 112 112 A H - 0 0 7 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.249 16.4-173.6 -76.9 166.1 36.6 100.6 60.6 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.947 44.0 -61.4-151.4 164.2 33.4 99.0 59.4 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.249 57.2-159.5 -52.9 136.6 29.8 98.8 60.7 115 115 A S >> - 0 0 0 264,-0.3 4,-2.6 -29,-0.2 3,-1.3 -0.925 28.4-129.8-123.4 147.4 29.7 97.1 64.1 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.884 106.0 71.6 -59.2 -36.2 26.9 95.4 66.0 117 117 A Y H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.808 114.3 23.3 -50.0 -35.0 27.8 97.5 68.9 118 118 A S H X4 S+ 0 0 0 -3,-1.3 3,-2.3 2,-0.1 -1,-0.2 0.691 109.0 73.8-104.5 -25.9 26.4 100.6 67.1 119 119 A A H >< S+ 0 0 0 -4,-2.6 3,-2.7 1,-0.3 -2,-0.2 0.750 76.9 82.5 -59.8 -20.2 24.0 98.8 64.8 120 120 A V G ><> + 0 0 0 -4,-1.5 3,-2.4 1,-0.3 5,-0.6 0.691 68.5 83.9 -58.2 -15.0 21.8 98.2 67.9 121 121 A G G X 5S+ 0 0 1 -3,-2.3 3,-1.3 1,-0.3 -1,-0.3 0.735 75.4 70.6 -59.8 -19.7 20.6 101.7 67.2 122 122 A I G < 5S+ 0 0 5 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.649 83.3 69.6 -72.8 -13.2 18.2 100.1 64.7 123 123 A T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.640 112.3-117.3 -77.3 -13.3 16.2 98.7 67.7 124 124 A G T < 5S+ 0 0 4 -3,-1.3 2,-0.4 1,-0.4 125,-0.2 0.387 73.7 131.7 92.8 -4.8 15.1 102.2 68.5 125 125 A L < - 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0 0 55 -2,-0.4 4,-2.2 -26,-0.1 5,-0.2 -0.329 34.4 -98.4 -86.6 173.5 18.5 121.4 58.1 326 60 B R H > S+ 0 0 98 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.922 127.4 46.9 -59.1 -45.2 17.4 120.3 61.6 327 61 B E H >>S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 5,-1.4 0.922 107.1 56.9 -63.2 -44.2 14.0 122.0 61.1 328 62 B D H >5S+ 0 0 36 3,-0.2 4,-0.5 2,-0.2 8,-0.3 0.922 119.9 32.0 -50.1 -47.0 13.7 120.5 57.7 329 63 B V H X5S+ 0 0 2 -4,-2.2 4,-1.6 3,-0.2 -2,-0.2 0.988 121.1 43.9 -75.7 -66.9 14.1 117.1 59.2 330 64 B E H <5S+ 0 0 77 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.846 131.6 21.9 -51.3 -40.3 12.6 117.3 62.7 331 65 B A H <5S+ 0 0 53 -4,-2.2 3,-0.2 -5,-0.4 -3,-0.2 0.879 135.0 26.3 -97.4 -44.5 9.5 119.2 61.6 332 66 B N H >XS+ 0 0 0 -4,-1.6 5,-1.7 1,-0.3 4,-1.5 0.875 81.8 51.9 -56.9 -39.4 10.6 115.2 57.1 334 68 B E H 345S+ 0 0 83 -3,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.621 115.2 42.4 -73.8 -12.4 7.2 113.8 56.0 335 69 B N H <45S+ 0 0 105 -3,-1.4 -2,-0.2 -7,-0.2 -1,-0.2 0.767 122.9 33.6-100.9 -33.7 6.7 116.8 53.7 336 70 B I H <5S+ 0 0 25 -4,-2.6 4,-0.4 -8,-0.3 -3,-0.2 0.920 132.7 17.6 -88.1 -52.0 10.1 117.0 52.1 337 71 B V T X5S+ 0 0 0 -4,-1.5 4,-1.3 -5,-0.3 3,-0.4 0.918 116.3 57.0 -91.3 -49.6 11.4 113.5 51.9 338 72 B L H >> S+ 0 0 68 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.946 108.3 43.2 -53.7 -49.5 6.4 112.3 49.3 340 74 B L H >> S+ 0 0 52 -4,-0.4 4,-0.7 -3,-0.4 3,-0.6 0.803 106.0 63.6 -65.4 -29.3 9.1 111.4 46.8 341 75 B A H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.2 32,-0.2 0.636 91.3 69.0 -70.4 -13.5 9.7 108.1 48.6 342 76 B K H << S+ 0 0 91 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.879 117.7 15.8 -73.1 -38.6 6.2 107.1 47.6 343 77 B E H << S+ 0 0 165 -3,-0.6 2,-0.3 -4,-0.6 -2,-0.2 0.188 128.7 43.1-120.6 15.2 6.9 106.8 43.9 344 78 B N S < S- 0 0 46 -4,-0.7 -76,-0.7 -5,-0.1 2,-0.6 -0.954 84.3 -98.0-152.1 168.1 10.7 106.7 43.9 345 79 B D E -n 268 0H 58 -2,-0.3 -51,-2.4 -53,-0.2 -50,-1.4 -0.845 47.8-170.7 -92.1 120.1 13.7 105.2 45.6 346 80 B V E -np 269 295H 0 -78,-2.8 -76,-3.0 -2,-0.6 2,-0.4 -0.929 13.3-154.9-120.2 141.3 15.0 107.8 48.0 347 81 B A E -np 270 296H 0 -52,-2.4 -50,-3.6 -2,-0.4 2,-0.5 -0.894 2.8-165.0-113.1 140.3 18.2 108.0 50.1 348 82 B F E -np 271 297H 0 -78,-3.0 -76,-2.3 -2,-0.4 2,-0.3 -0.938 16.3-157.6-125.1 103.9 18.7 109.9 53.3 349 83 B L E +np 272 298H 0 -52,-3.1 -50,-1.8 -2,-0.5 -76,-0.2 -0.654 14.6 174.9 -86.9 138.1 22.4 110.3 54.2 350 84 B T E -n 273 0H 0 -78,-2.0 -76,-2.7 -2,-0.3 -75,-0.4 -0.990 36.6-102.6-139.5 145.2 23.7 110.9 57.7 351 85 B P S S- 0 0 10 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.317 89.6 -3.5 -63.5 152.1 27.2 111.1 59.1 352 86 B G B S-R 275 0I 14 -77,-2.9 -77,-1.9 -79,-0.1 29,-0.2 -0.415 122.9 -15.8 71.4-137.9 28.3 107.9 61.0 353 87 B D S > S- 0 0 4 -80,-0.2 3,-1.7 -2,-0.1 4,-0.5 -0.918 76.6-112.1-108.2 125.0 25.8 105.1 61.5 354 88 B P T 3 S+ 0 0 0 0, 0.0 25,-0.1 0, 0.0 -233,-0.1 -0.183 98.6 20.4 -54.7 148.3 22.1 105.9 60.9 355 89 B L T 3 S+ 0 0 5 2,-0.1 -228,-0.3 1,-0.1 6,-0.2 0.465 92.5 103.3 72.7 0.4 19.8 105.9 64.0 356 90 B V < + 0 0 26 -3,-1.7 2,-0.5 -230,-0.1 -229,-0.4 0.875 63.7 81.1 -73.3 -40.6 22.7 106.3 66.4 357 91 B A S >> S- 0 0 28 -4,-0.5 3,-2.2 1,-0.1 4,-0.5 -0.561 96.4-122.9 -64.8 118.1 21.7 109.9 66.7 358 92 B T T 34 S+ 0 0 63 -2,-0.5 4,-0.3 1,-0.3 3,-0.3 0.716 102.9 46.0 -32.2 -46.3 18.9 109.8 69.2 359 93 B T T 34 S+ 0 0 63 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.612 91.7 78.2 -82.9 -13.7 16.2 111.4 67.1 360 94 B H T X> S+ 0 0 3 -3,-2.2 3,-1.8 1,-0.2 4,-0.5 0.879 81.6 65.8 -63.6 -40.4 16.6 109.5 63.8 361 95 B A H >X S+ 0 0 9 -4,-0.5 3,-2.3 -3,-0.3 4,-0.6 0.894 94.3 59.7 -47.7 -48.3 14.8 106.3 64.8 362 96 B E H >> S+ 0 0 50 -4,-0.3 4,-1.4 1,-0.3 3,-0.9 0.781 91.0 70.8 -53.9 -28.3 11.5 108.2 65.1 363 97 B L H <> S+ 0 0 3 -3,-1.8 4,-1.6 -4,-0.5 -1,-0.3 0.784 91.3 58.9 -62.3 -25.8 11.9 109.0 61.4 364 98 B R H S+ 0 0 0 -4,-1.6 5,-2.9 2,-0.2 3,-0.4 0.931 109.1 52.0 -62.9 -45.8 7.8 106.5 57.0 368 102 B K H ><5S+ 0 0 98 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.934 108.7 50.0 -55.3 -48.8 5.6 103.7 58.2 369 103 B R H 3<5S+ 0 0 170 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.784 108.4 53.4 -62.6 -27.6 2.7 106.1 58.7 370 104 B A T 3<5S- 0 0 36 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.389 119.0-111.0 -87.6 2.8 3.2 107.5 55.2 371 105 B G T < 5S+ 0 0 35 -3,-1.8 2,-0.5 -4,-0.3 -3,-0.2 0.765 74.4 137.2 73.5 25.1 3.0 104.0 53.8 372 106 B V < - 0 0 6 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.2 -0.907 50.2-136.0-109.5 129.3 6.7 104.1 52.9 373 107 B E E -o 268 0H 96 -106,-1.5 -104,-2.8 -2,-0.5 2,-0.4 -0.575 24.1-164.4 -78.6 143.8 9.1 101.1 53.4 374 108 B S E -o 269 0H 15 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.975 9.7-170.7-133.3 147.2 12.4 102.0 54.9 375 109 B Y E -o 270 0H 42 -106,-2.1 -104,-2.9 -2,-0.4 2,-0.5 -0.966 16.9-133.7-133.9 150.2 15.7 100.1 55.2 376 110 B V E -o 271 0H 6 -2,-0.3 2,-0.6 -164,-0.3 -104,-0.2 -0.921 10.7-167.9-112.6 126.8 18.9 100.9 57.1 377 111 B I E -o 272 0H 3 -106,-3.1 -104,-2.3 -2,-0.5 -94,-0.1 -0.949 24.7-144.7-110.5 110.2 22.4 100.7 55.6 378 112 B H - 0 0 6 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.162 19.6-179.3 -74.0 167.2 24.9 100.9 58.5 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -25,-0.1 -105,-0.1 -0.956 43.6 -63.9-157.0 164.1 28.3 102.5 58.6 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.276 50.7-161.2 -57.8 139.5 31.1 102.9 61.1 381 115 B S >> - 0 0 4 -268,-0.3 4,-3.0 -29,-0.2 3,-1.2 -0.908 29.7-124.0-121.8 150.5 30.2 105.1 64.2 382 116 B I H 3> S+ 0 0 33 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.857 110.2 71.4 -60.1 -31.5 32.4 106.8 66.6 383 117 B Y H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.853 114.4 23.4 -52.1 -38.1 30.5 104.8 69.3 384 118 B S H X4 S+ 0 0 0 -3,-1.2 3,-2.0 2,-0.1 -1,-0.2 0.733 112.2 70.6 -99.4 -29.8 32.3 101.7 68.0 385 119 B A H >< S+ 0 0 0 -4,-3.0 3,-2.6 1,-0.3 -2,-0.2 0.759 79.9 78.5 -59.9 -24.6 35.4 103.4 66.4 386 120 B V G ><> + 0 0 0 -4,-1.9 3,-2.8 1,-0.3 5,-0.5 0.693 69.2 86.3 -59.4 -15.0 36.6 104.2 70.0 387 121 B G G X 5S+ 0 0 1 -3,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.735 73.6 73.0 -56.4 -18.7 37.7 100.6 70.0 388 122 B I G < 5S+ 0 0 5 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.680 80.3 71.2 -70.7 -16.2 40.9 102.0 68.4 389 123 B T G < 5S- 0 0 0 -3,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.570 111.2-118.7 -75.1 -7.2 41.8 103.5 71.7 390 124 B G T < 5S+ 0 0 5 -3,-1.5 2,-0.4 1,-0.3 125,-0.2 0.478 72.7 132.5 83.8 -1.5 42.6 100.0 73.0 391 125 B L < - 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