==== 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 02-OCT-06 2E08 . COMPND 2 MOLECULE: PROBABLE 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) . 21680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 71.2 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 . 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 . 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.0 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 5 0 2 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 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 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 0 141 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 82.6 55.5 97.4 54.3 2 2 A V E -ab 79 107A 13 76,-0.9 78,-2.8 104,-0.1 2,-0.4 -0.924 360.0-128.8-144.6 165.8 52.4 97.9 56.5 3 3 A L E -ab 80 108A 0 104,-2.4 106,-2.2 -2,-0.3 2,-0.4 -0.985 19.2-162.0-122.1 129.4 49.6 95.9 58.2 4 4 A Y E -ab 81 109A 33 76,-2.6 78,-2.9 -2,-0.4 2,-0.7 -0.921 10.2-154.9-112.1 134.5 46.0 96.9 57.9 5 5 A F E -ab 82 110A 0 104,-2.9 106,-3.0 -2,-0.4 2,-0.5 -0.946 26.2-174.8-104.4 112.4 43.2 95.7 60.2 6 6 A I E -ab 83 111A 0 76,-2.5 78,-1.6 -2,-0.7 2,-0.2 -0.948 18.0-140.4-120.1 124.7 40.1 96.0 58.0 7 7 A G E -a 84 0A 0 104,-2.2 10,-0.5 -2,-0.5 80,-0.2 -0.526 5.2-162.4 -79.5 144.0 36.5 95.4 59.1 8 8 A L - 0 0 4 76,-2.5 7,-0.3 78,-0.4 3,-0.2 0.500 39.7-132.2-101.3 -9.5 34.1 93.6 56.8 9 9 A G B -E 86 0B 1 77,-1.8 77,-3.4 75,-0.4 -1,-0.3 -0.337 32.8 -46.6 93.5-173.3 30.9 94.7 58.5 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.2 0.817 110.5 -7.2 -72.0 -45.1 27.7 93.0 59.7 11 11 A Y S S+ 0 0 54 1,-0.3 30,-2.3 -3,-0.2 31,-0.3 0.739 111.5 14.7-128.4 -51.9 26.2 90.7 57.1 12 12 A D S > S- 0 0 16 29,-0.2 3,-2.3 28,-0.1 -1,-0.3 -0.774 79.4 -89.0-129.7 176.5 27.7 90.5 53.6 13 13 A E G > S+ 0 0 39 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.714 118.3 64.6 -59.0 -20.8 30.7 91.5 51.6 14 14 A R G 3 S+ 0 0 68 1,-0.2 271,-2.5 270,-0.1 272,-0.3 0.500 80.8 80.6 -83.1 0.4 29.2 94.9 50.7 15 15 A D G < + 0 0 1 -3,-2.3 -1,-0.2 -7,-0.3 2,-0.2 0.460 69.0 102.8 -82.9 -0.9 29.3 95.9 54.4 16 16 A I S < S- 0 0 2 -3,-0.9 268,-2.6 -4,-0.1 269,-0.3 -0.535 82.9-109.9 -76.5 147.6 33.0 96.8 54.0 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.4 95,-0.4 266,-0.3 -0.432 21.2-116.3 -76.6 157.6 33.6 100.5 53.7 18 18 A V H > S+ 0 0 12 264,-2.5 4,-2.8 262,-0.3 5,-0.3 0.919 119.1 55.0 -58.4 -41.1 34.8 101.9 50.3 19 19 A K H > S+ 0 0 3 261,-2.7 4,-2.0 263,-0.3 5,-0.2 0.944 108.1 48.2 -56.0 -49.3 38.0 102.9 52.1 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -1,-0.2 0.882 112.4 48.9 -60.3 -39.6 38.5 99.3 53.3 21 21 A L H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.946 110.0 49.0 -67.2 -48.9 37.8 97.9 49.8 22 22 A E H X S+ 0 0 72 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.864 115.8 44.4 -60.6 -36.6 40.2 100.2 47.9 23 23 A I H >< S+ 0 0 19 -4,-2.0 3,-1.0 -5,-0.3 4,-0.5 0.937 112.3 51.1 -73.2 -45.7 43.0 99.5 50.4 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.876 104.5 59.1 -57.8 -39.2 42.4 95.8 50.4 25 25 A K H 3< S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.778 108.6 44.5 -61.1 -29.0 42.5 95.7 46.6 26 26 A K T << S+ 0 0 150 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.386 88.4 110.3 -99.2 2.8 46.0 97.1 46.6 27 27 A C < - 0 0 0 -3,-1.2 53,-0.2 -4,-0.5 3,-0.1 -0.465 63.5-140.8 -78.1 151.8 47.5 94.9 49.3 28 28 A D S S+ 0 0 81 51,-2.4 2,-0.3 1,-0.2 52,-0.2 0.850 86.7 21.0 -79.1 -37.2 50.0 92.2 48.4 29 29 A Y E -c 80 0A 107 50,-1.7 52,-2.2 24,-0.1 2,-0.4 -0.990 67.1-161.3-135.1 142.2 48.7 89.6 50.9 30 30 A V E +cd 81 55A 6 24,-0.6 26,-2.3 -2,-0.3 2,-0.3 -0.981 10.9 175.8-129.8 122.4 45.3 89.3 52.5 31 31 A F E +cd 82 56A 6 50,-3.3 52,-2.9 -2,-0.4 2,-0.3 -0.750 6.1 178.1-115.3 166.9 44.5 87.3 55.7 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.1 50,-0.3 2,-0.4 -0.984 19.9-146.3-163.2 162.0 41.3 87.0 57.6 33 33 A E E - d 0 58A 0 50,-1.8 26,-0.1 -2,-0.3 24,-0.0 -0.986 7.6-176.6-134.7 143.0 39.6 85.3 60.5 34 34 A F + 0 0 57 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.103 63.4 87.4-132.1 36.4 35.9 84.3 60.7 35 35 A Y S S+ 0 0 16 23,-0.1 135,-0.4 1,-0.1 3,-0.1 0.604 74.9 65.8-108.3 -16.9 35.6 82.9 64.3 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.742 117.6 -6.8 -78.4 -23.0 34.8 86.2 66.2 37 37 A S S S- 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.963 70.3-105.2-159.6 175.4 31.5 86.6 64.5 38 38 A L - 0 0 33 -2,-0.3 2,-1.0 -28,-0.1 -3,-0.1 -0.952 12.3-163.4-118.9 123.2 29.2 85.3 61.8 39 39 A M > - 0 0 16 -2,-0.5 3,-0.9 1,-0.1 -28,-0.2 -0.835 15.1-179.0-101.0 92.8 28.6 87.0 58.4 40 40 A A T 3 + 0 0 40 -2,-1.0 -28,-0.1 -30,-0.3 -1,-0.1 0.498 68.6 59.3 -74.6 -5.5 25.4 85.2 57.4 41 41 A G T 3 S+ 0 0 17 -30,-2.3 2,-0.2 -31,-0.1 -1,-0.2 0.272 104.1 35.3-110.4 14.7 24.9 86.9 54.1 42 42 A T < - 0 0 19 -3,-0.9 2,-0.3 -31,-0.3 3,-0.1 -0.824 62.4-133.2-148.4-174.2 28.1 86.1 52.1 43 43 A T > - 0 0 74 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.895 34.4-104.9-140.6 169.1 30.8 83.5 51.5 44 44 A L H > S+ 0 0 68 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.940 120.1 55.5 -62.8 -44.2 34.6 83.5 51.3 45 45 A G H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 106.7 48.6 -54.4 -45.8 34.3 83.2 47.5 46 46 A R H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 112.7 48.1 -64.8 -36.5 32.2 86.3 47.2 47 47 A I H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.939 112.2 48.9 -68.6 -46.7 34.6 88.3 49.5 48 48 A Q H X>S+ 0 0 57 -4,-3.1 4,-2.2 1,-0.2 5,-1.1 0.896 111.0 51.7 -58.5 -40.6 37.6 87.1 47.5 49 49 A K H <5S+ 0 0 182 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.924 110.2 47.4 -62.9 -46.1 35.8 88.1 44.3 50 50 A L H <5S+ 0 0 49 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.906 119.7 38.5 -62.6 -43.7 35.0 91.6 45.5 51 51 A I H <5S- 0 0 4 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.724 99.5-137.0 -80.9 -22.6 38.6 92.2 46.7 52 52 A G T <5 + 0 0 57 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.827 67.4 102.0 69.8 32.4 40.2 90.4 43.8 53 53 A K S - 0 0 40 -2,-0.3 4,-2.5 -26,-0.1 5,-0.2 -0.461 34.6 -99.3 -92.3 169.0 42.0 79.9 63.0 60 60 A R H > S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.883 126.7 49.2 -56.4 -38.2 41.8 81.2 66.5 61 61 A E H >>S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 5,-1.0 0.926 107.1 53.7 -68.5 -44.0 45.0 79.3 67.3 62 62 A D H >5S+ 0 0 45 3,-0.2 4,-1.4 2,-0.2 7,-0.2 0.939 117.9 38.0 -54.2 -47.9 46.8 80.7 64.2 63 63 A V H X5S+ 0 0 1 -4,-2.5 4,-1.7 3,-0.2 5,-0.2 0.992 121.0 39.5 -67.7 -64.5 46.0 84.2 65.3 64 64 A E H <5S+ 0 0 76 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.837 131.8 26.6 -58.3 -36.9 46.3 84.1 69.1 65 65 A L H <5S+ 0 0 103 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.2 0.818 136.0 22.0 -97.8 -34.2 49.4 81.9 69.1 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.5 1,-0.3 5,-1.4 0.933 85.3 51.2 -56.7 -43.8 50.0 86.0 64.4 68 68 A E H 345S+ 0 0 77 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.602 115.1 42.8 -68.5 -11.6 53.6 87.2 64.6 69 69 A N H <45S+ 0 0 106 -3,-1.4 -1,-0.2 -7,-0.2 -2,-0.2 0.662 123.2 33.0-106.6 -22.7 54.8 84.1 62.7 70 70 A I H <5S+ 0 0 28 -4,-2.2 4,-0.2 -8,-0.2 -3,-0.2 0.792 131.9 18.0-103.0 -37.5 52.1 84.0 59.9 71 71 A V T >X5S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.4 3,-0.8 0.883 115.5 55.4-102.4 -54.8 51.2 87.6 59.2 72 72 A L H 3>4 S+ 0 0 61 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.910 107.9 42.9 -55.6 -41.4 56.8 88.5 58.7 74 74 A L H X> S+ 0 0 57 -3,-0.8 3,-1.2 1,-0.2 4,-1.1 0.787 104.7 64.6 -73.8 -28.7 55.2 89.4 55.3 75 75 A A H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 32,-0.2 0.609 89.8 68.7 -71.0 -11.3 54.1 92.8 56.5 76 76 A K T << S+ 0 0 93 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.688 118.8 17.7 -80.6 -18.2 57.8 93.8 56.9 77 77 A E T <4 S+ 0 0 147 -3,-1.2 2,-0.3 -4,-0.2 -2,-0.2 0.325 127.7 43.4-132.0 2.7 58.3 93.7 53.1 78 78 A N S < S- 0 0 40 -4,-1.1 -76,-0.9 -5,-0.1 2,-0.7 -0.900 83.2 -99.2-144.3 170.5 54.8 93.9 51.8 79 79 A D E -a 2 0A 50 -2,-0.3 -51,-2.4 -78,-0.2 -50,-1.7 -0.867 50.0-176.1 -94.4 115.8 51.4 95.6 52.2 80 80 A V E -ac 3 29A 0 -78,-2.8 -76,-2.6 -2,-0.7 2,-0.4 -0.915 14.9-161.1-121.1 144.8 49.3 93.2 54.2 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.3 -2,-0.4 2,-0.5 -0.932 5.7-160.6-123.5 146.3 45.6 93.2 55.3 82 82 A F E -ac 5 31A 0 -78,-2.9 -76,-2.5 -2,-0.4 2,-0.3 -0.980 18.1-159.4-125.9 112.3 43.9 91.2 58.0 83 83 A L E +ac 6 32A 0 -52,-2.9 -50,-1.8 -2,-0.5 -76,-0.2 -0.702 13.5 173.9 -97.3 147.5 40.1 91.1 57.6 84 84 A T E -a 7 0A 0 -78,-1.6 -76,-2.5 -2,-0.3 -75,-0.4 -0.971 37.2 -95.6-145.3 157.5 37.5 90.4 60.3 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.332 92.5 -8.5 -69.6 161.3 33.7 90.4 60.5 86 86 A G B S-E 9 0B 1 -77,-3.4 -77,-1.8 -79,-0.1 -78,-0.4 -0.207 129.2 -15.1 53.4-138.1 32.2 93.6 61.9 87 87 A D > - 0 0 0 446,-2.5 3,-1.6 -80,-0.2 25,-0.1 -0.873 67.2-131.8 -98.4 130.9 34.7 96.1 63.3 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.722 101.6 40.7 -54.2 -26.1 38.1 94.5 63.9 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 304,-0.3 0.203 89.3 100.6-112.2 16.1 38.5 95.9 67.4 90 90 A V S < S- 0 0 0 -3,-1.6 -3,-0.1 1,-0.2 3,-0.1 -0.904 101.6 -14.5-107.7 120.5 35.0 95.5 68.9 91 91 A A S S+ 0 0 44 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.792 117.2 96.5 61.7 28.6 34.3 92.5 71.2 92 92 A T S S- 0 0 19 -3,-0.2 -1,-0.3 441,-0.1 3,-0.2 -0.805 78.6-127.5-129.7 174.5 37.6 90.9 70.1 93 93 A T S > S+ 0 0 86 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.122 75.7 113.5-108.3 21.9 41.1 90.8 71.5 94 94 A H T > + 0 0 2 -6,-0.4 3,-1.7 1,-0.2 4,-0.5 0.751 56.9 77.5 -65.2 -24.6 42.6 91.9 68.2 95 95 A A T >> S+ 0 0 17 1,-0.3 3,-1.8 -3,-0.2 4,-0.5 0.904 88.3 58.8 -53.7 -39.1 43.7 95.3 69.7 96 96 A E H X> S+ 0 0 57 -3,-1.0 4,-1.3 1,-0.3 3,-0.8 0.749 90.8 71.3 -62.8 -22.8 46.6 93.5 71.3 97 97 A L H <> S+ 0 0 3 -3,-1.7 4,-1.6 -4,-0.3 -1,-0.3 0.722 88.6 62.5 -67.0 -19.2 47.7 92.4 67.9 98 98 A R H <> S+ 0 0 26 -3,-1.8 4,-2.5 -4,-0.5 -1,-0.3 0.818 99.5 53.5 -74.5 -29.7 48.8 96.0 67.2 99 99 A I H S+ 0 0 0 -4,-1.6 5,-2.9 2,-0.2 3,-0.3 0.948 110.3 48.8 -63.9 -47.6 52.9 94.6 65.1 102 102 A K H ><5S+ 0 0 99 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.938 109.9 50.0 -57.8 -49.2 54.8 97.4 66.9 103 103 A R H 3<5S+ 0 0 171 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.775 109.6 53.3 -63.6 -23.7 57.3 95.1 68.6 104 104 A A T 3<5S- 0 0 26 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.415 119.5-111.7 -89.3 1.1 57.9 93.5 65.2 105 105 A G T < 5S+ 0 0 64 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.772 74.1 135.4 76.9 24.8 58.6 96.9 63.7 106 106 A V < - 0 0 3 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.923 50.9-136.8-111.8 124.7 55.5 96.9 61.5 107 107 A E E -b 2 0A 131 -106,-0.6 -104,-2.4 -2,-0.5 2,-0.3 -0.562 24.5-158.3 -76.1 140.4 53.2 99.9 61.3 108 108 A S E -b 3 0A 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.928 11.3-167.5-125.9 149.1 49.5 99.2 61.5 109 109 A Y E -b 4 0A 65 -106,-2.2 -104,-2.9 -2,-0.3 2,-0.5 -0.963 12.9-140.5-131.6 149.2 46.4 101.0 60.4 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.943 9.7-169.9-117.3 128.9 42.8 100.4 61.3 111 111 A I E -b 6 0A 4 -106,-3.0 -104,-2.2 -2,-0.5 -94,-0.1 -0.973 22.4-143.6-114.2 117.0 39.8 100.7 58.9 112 112 A H - 0 0 7 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.228 17.2-174.0 -77.5 167.6 36.5 100.5 60.7 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 -97,-0.1 -0.943 44.4 -60.4-152.0 165.3 33.3 98.8 59.5 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.275 57.0-158.6 -53.9 135.3 29.6 98.6 60.8 115 115 A S >> - 0 0 0 264,-0.3 4,-2.4 -29,-0.2 3,-1.1 -0.910 27.6-130.8-120.7 146.5 29.5 96.9 64.2 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.3 -1,-0.1 0.840 105.6 71.7 -61.7 -30.1 26.7 95.2 66.0 117 117 A Y H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.849 113.6 23.5 -55.4 -36.9 27.6 97.4 69.0 118 118 A S H X4 S+ 0 0 0 -3,-1.1 3,-2.0 1,-0.1 -1,-0.2 0.682 109.6 73.9-100.9 -24.3 26.2 100.4 67.2 119 119 A A H >< S+ 0 0 0 -4,-2.4 3,-2.6 1,-0.3 -2,-0.2 0.745 76.1 81.3 -61.7 -21.5 23.8 98.7 64.9 120 120 A V G ><> + 0 0 0 -4,-1.3 3,-2.2 1,-0.3 5,-0.5 0.650 68.9 86.4 -59.6 -9.6 21.5 98.0 67.9 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.772 73.9 70.4 -58.9 -24.8 20.4 101.6 67.2 122 122 A I G < 5S+ 0 0 4 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.614 82.0 71.6 -69.9 -10.3 18.0 100.0 64.8 123 123 A T G < 5S- 0 0 0 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.597 111.3-118.8 -76.9 -10.1 16.0 98.6 67.7 124 124 A G T < 5S+ 0 0 4 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.377 72.8 131.0 91.2 -8.1 14.9 102.1 68.5 125 125 A L S - 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0 0 51 -4,-0.1 2,-0.3 54,-0.0 -1,-0.3 -0.972 65.6-113.6-166.5 176.1 27.4 115.6 63.3 304 38 B L - 0 0 10 -2,-0.3 2,-0.8 -3,-0.1 3,-0.1 -0.808 16.2-127.9-121.8 164.1 29.8 116.6 60.5 305 39 B M > - 0 0 15 -2,-0.3 3,-1.4 1,-0.1 -28,-0.1 -0.825 31.1-178.9-110.0 86.9 32.1 114.7 58.0 306 40 B A T 3 S+ 0 0 36 -2,-0.8 -28,-0.1 -30,-0.3 -1,-0.1 0.692 71.3 58.3 -62.0 -25.3 35.3 116.6 58.8 307 41 B G T 3 S+ 0 0 20 -30,-2.4 -28,-0.3 -3,-0.1 -1,-0.3 0.289 112.5 25.4 -92.9 12.5 37.5 114.8 56.3 308 42 B T S < S- 0 0 15 -3,-1.4 2,-0.3 -31,-0.3 -3,-0.1 -0.840 71.3-117.8-153.5-171.8 35.5 115.6 53.2 309 43 B T > - 0 0 72 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.904 31.3-108.9-135.5 164.6 33.0 118.1 51.6 310 44 B L H > S+ 0 0 69 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.897 120.5 55.5 -59.3 -39.3 29.5 117.9 50.3 311 45 B G H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 106.8 47.4 -60.9 -42.9 31.0 118.3 46.8 312 46 B R H > S+ 0 0 151 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 112.0 50.7 -68.0 -35.4 33.2 115.3 47.2 313 47 B I H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.941 111.1 48.2 -67.4 -44.5 30.4 113.2 48.5 314 48 B Q H X>S+ 0 0 58 -4,-2.7 4,-2.3 1,-0.2 5,-1.0 0.896 109.2 53.7 -61.0 -41.5 28.2 114.2 45.6 315 49 B K H <5S+ 0 0 174 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.869 111.0 46.3 -61.6 -38.9 31.0 113.4 43.1 316 50 B L H <5S+ 0 0 48 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.922 118.2 40.2 -70.5 -46.0 31.3 109.9 44.6 317 51 B I H <5S- 0 0 2 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.724 98.1-139.3 -76.3 -21.0 27.6 109.2 44.6 318 52 B G T <5 + 0 0 56 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.829 66.7 105.9 65.5 31.5 27.1 110.8 41.3 319 53 B K S - 0 0 56 -2,-0.4 4,-2.0 -26,-0.1 5,-0.2 -0.275 35.0 -98.2 -84.1 175.5 18.3 121.4 58.4 326 60 B R H > S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.901 127.5 48.1 -62.4 -40.5 17.3 120.2 61.8 327 61 B E H >>S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 5,-1.3 0.903 106.0 57.1 -67.1 -40.4 13.9 121.9 61.3 328 62 B D H >5S+ 0 0 38 3,-0.2 4,-0.9 2,-0.2 8,-0.2 0.930 118.6 33.3 -54.2 -46.4 13.5 120.4 57.9 329 63 B V H X5S+ 0 0 2 -4,-2.0 4,-1.8 3,-0.2 5,-0.2 0.986 122.6 41.3 -73.8 -65.0 13.8 116.9 59.4 330 64 B E H <5S+ 0 0 81 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.839 132.1 24.6 -55.9 -36.8 12.2 117.3 62.9 331 65 B L H <5S+ 0 0 98 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.830 136.2 22.5 -99.1 -37.5 9.3 119.4 61.6 332 66 B N H >XS+ 0 0 0 -4,-1.8 4,-1.8 1,-0.3 5,-1.6 0.888 84.0 50.7 -52.2 -41.9 10.4 115.2 57.2 334 68 B E H 345S+ 0 0 86 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.653 114.7 43.6 -72.4 -14.4 7.0 114.0 56.0 335 69 B N H <45S+ 0 0 109 -3,-1.7 -2,-0.2 -7,-0.2 -1,-0.2 0.687 123.8 31.9-100.7 -24.5 6.6 117.0 53.7 336 70 B I H <5S+ 0 0 24 -4,-2.3 4,-0.4 -8,-0.2 -3,-0.2 0.877 131.7 18.4 -98.8 -50.5 10.1 117.1 52.2 337 71 B V T X5S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.3 3,-0.4 0.922 116.2 54.8 -91.4 -52.0 11.3 113.5 52.0 338 72 B L H >> S+ 0 0 67 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.941 109.2 40.8 -52.7 -49.2 6.4 112.4 49.4 340 74 B L H >> S+ 0 0 52 -3,-0.4 4,-0.8 -4,-0.4 3,-0.7 0.822 108.5 62.4 -67.7 -30.7 9.1 111.6 46.9 341 75 B A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 32,-0.2 0.649 91.2 69.1 -69.5 -15.1 9.7 108.3 48.6 342 76 B K H << S+ 0 0 83 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.872 118.0 16.8 -71.3 -37.5 6.1 107.3 47.7 343 77 B E H << S+ 0 0 158 -3,-0.7 2,-0.3 -4,-0.6 -2,-0.2 0.231 127.9 41.7-120.4 13.4 6.8 107.0 44.0 344 78 B N S < S- 0 0 45 -4,-0.8 -76,-1.3 -5,-0.1 2,-0.6 -0.905 84.8 -96.1-148.5 174.0 10.6 106.8 43.9 345 79 B D E -n 268 0H 61 -2,-0.3 -51,-1.7 -78,-0.2 -50,-1.5 -0.895 48.7-173.4 -96.7 119.8 13.7 105.3 45.6 346 80 B V E -np 269 295H 0 -78,-2.7 -76,-2.8 -2,-0.6 2,-0.4 -0.928 13.2-155.3-120.9 143.2 14.9 107.9 48.1 347 81 B A E -np 270 296H 0 -52,-2.2 -50,-3.4 -2,-0.4 2,-0.5 -0.918 3.3-161.8-117.6 142.3 18.1 107.9 50.2 348 82 B F E -np 271 297H 0 -78,-3.1 -76,-2.3 -2,-0.4 2,-0.3 -0.949 16.4-157.4-123.9 105.1 18.6 109.9 53.4 349 83 B L E +np 272 298H 0 -52,-2.9 -50,-1.8 -2,-0.5 -76,-0.2 -0.651 14.5 175.5 -87.1 139.7 22.3 110.2 54.2 350 84 B T E -n 273 0H 0 -78,-2.0 -76,-2.8 -2,-0.3 -75,-0.4 -0.993 35.9-102.6-141.2 145.3 23.6 110.8 57.8 351 85 B P S S- 0 0 10 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.324 89.5 -3.6 -64.2 152.9 27.1 111.0 59.2 352 86 B G B S-R 275 0I 14 -77,-2.9 -77,-1.9 -79,-0.1 29,-0.2 -0.394 122.3 -16.8 70.0-140.0 28.1 107.8 61.1 353 87 B D S > S- 0 0 5 -80,-0.2 3,-1.5 -79,-0.1 4,-0.5 -0.892 76.9-109.7-105.4 130.9 25.7 105.0 61.6 354 88 B P T 3 S+ 0 0 0 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.277 99.4 19.7 -59.9 146.2 22.0 105.7 61.0 355 89 B L T 3 S+ 0 0 6 2,-0.1 -228,-0.3 1,-0.1 6,-0.2 0.490 90.5 104.5 73.2 4.5 19.8 105.7 64.1 356 90 B V < + 0 0 25 -3,-1.5 -229,-0.4 -230,-0.1 -228,-0.3 0.902 66.4 77.1 -77.6 -41.2 22.7 106.2 66.5 357 91 B A S >> S- 0 0 31 -4,-0.5 3,-1.3 1,-0.1 4,-0.6 -0.516 95.2-126.5 -65.5 128.2 21.5 109.8 66.9 358 92 B T T 34 S+ 0 0 63 -2,-0.3 4,-0.4 1,-0.2 3,-0.3 0.745 100.9 53.4 -50.8 -34.4 18.5 109.6 69.2 359 93 B T T 3> S+ 0 0 51 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.699 92.2 72.9 -79.1 -19.4 16.0 111.5 67.0 360 94 B H H X> S+ 0 0 3 -3,-1.3 3,-1.4 1,-0.2 4,-0.5 0.866 82.6 65.7 -64.5 -40.5 16.4 109.4 63.8 361 95 B A H >X S+ 0 0 9 -4,-0.6 3,-2.0 1,-0.3 4,-0.6 0.888 95.8 58.6 -49.4 -45.6 14.6 106.2 64.9 362 96 B E H >> S+ 0 0 50 -4,-0.4 4,-1.6 -3,-0.3 3,-1.1 0.800 91.6 70.2 -56.3 -30.7 11.3 108.0 65.1 363 97 B L H <>S+ 0 0 0 -4,-1.7 5,-2.8 2,-0.2 3,-0.5 0.947 110.0 49.2 -60.1 -48.5 7.7 106.5 57.0 368 102 B K H ><5S+ 0 0 98 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.940 108.8 53.1 -55.1 -49.2 5.4 103.7 58.2 369 103 B R H 3<5S+ 0 0 168 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.788 109.5 49.6 -57.3 -30.1 2.6 106.2 58.8 370 104 B A T <<5S- 0 0 41 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.371 119.4-108.8 -92.3 4.3 3.0 107.4 55.3 371 105 B G T < 5S+ 0 0 36 -3,-2.0 2,-0.5 -4,-0.3 -3,-0.2 0.775 74.2 138.0 74.9 27.0 2.9 104.0 53.7 372 106 B V < - 0 0 7 -5,-2.8 -1,-0.2 -6,-0.2 -104,-0.2 -0.909 51.0-132.3-111.7 130.9 6.6 104.1 52.8 373 107 B E E -o 268 0H 81 -106,-1.9 -104,-2.6 -2,-0.5 2,-0.4 -0.492 25.8-164.2 -73.7 146.3 9.0 101.1 53.3 374 108 B S E -o 269 0H 15 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.993 9.1-173.4-136.8 144.0 12.3 102.0 55.0 375 109 B Y E -o 270 0H 41 -106,-2.2 -104,-3.1 -2,-0.4 2,-0.5 -0.972 17.0-134.9-134.6 149.7 15.6 100.2 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 11.0-169.6-113.0 125.3 18.8 100.8 57.2 377 111 B I E -o 272 0H 2 -106,-3.1 -104,-2.1 -2,-0.5 -94,-0.1 -0.951 24.9-144.7-110.4 111.2 22.2 100.6 55.7 378 112 B H + 0 0 4 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.216 20.6 178.3 -75.6 164.8 24.8 100.8 58.5 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -264,-0.1 -105,-0.1 -0.947 44.6 -61.2-155.9 165.5 28.2 102.3 58.6 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.246 50.0-160.2 -56.6 139.6 30.9 102.8 61.2 381 115 B S >> - 0 0 3 -268,-0.3 4,-2.9 -29,-0.2 3,-1.2 -0.908 28.9-124.8-120.8 148.6 30.0 104.9 64.3 382 116 B I H 3> S+ 0 0 36 -2,-0.3 4,-1.4 1,-0.3 5,-0.1 0.810 110.4 70.4 -61.5 -24.8 32.3 106.7 66.7 383 117 B Y H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.875 113.4 24.9 -59.1 -38.7 30.4 104.6 69.4 384 118 B S H X4 S+ 0 0 0 -3,-1.2 3,-1.7 1,-0.1 -2,-0.2 0.743 112.2 69.8 -96.5 -28.7 32.1 101.4 68.1 385 119 B A H >< S+ 0 0 0 -4,-2.9 3,-2.4 1,-0.3 -2,-0.2 0.725 78.8 79.1 -62.5 -23.6 35.2 103.1 66.6 386 120 B V G ><> + 0 0 0 -4,-1.4 3,-2.5 1,-0.3 5,-0.5 0.654 69.1 87.4 -61.1 -10.9 36.5 104.0 70.1 387 121 B G G X 5S+ 0 0 1 -3,-1.7 3,-1.5 1,-0.3 -1,-0.3 0.744 73.0 72.4 -56.7 -20.5 37.6 100.3 70.1 388 122 B I G < 5S+ 0 0 5 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.633 80.7 71.6 -72.0 -10.0 40.7 101.7 68.5 389 123 B T G < 5S- 0 0 0 -3,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.557 111.8-117.2 -80.3 -5.8 41.7 103.2 71.8 390 124 B G T < 5S+ 0 0 5 -3,-1.5 2,-0.3 1,-0.3 125,-0.1 0.342 73.8 132.2 87.5 -9.4 42.5 99.7 73.1 391 125 B L < - 0 0 3 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.625 68.1-106.5 -78.4 132.2 39.7 100.0 75.8 392 126 B H > - 0 0 38 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.378 22.2-139.6 -60.5 128.6 37.4 97.0 75.8 393 127 B I G > S+ 0 0 4 -304,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.842 98.4 60.9 -60.6 -35.0 34.1 97.9 74.3 394 128 B Y G 3 S+ 0 0 103 1,-0.3 -261,-2.2 -262,-0.1 -1,-0.3 0.757 96.5 63.0 -66.0 -21.6 32.0 95.9 76.9 395 129 B K G < S+ 0 0 22 -3,-1.2 32,-2.7 -263,-0.2 2,-0.4 0.487 77.0 105.1 -82.2 -3.2 33.5 98.1 79.7 396 130 B F B < -s 427 0J 1 -3,-1.6 32,-0.2 30,-0.2 -263,-0.1 -0.652 52.5-171.8 -78.9 132.2 31.9 101.3 78.3 397 131 B G - 0 0 1 30,-2.9 32,-0.2 -2,-0.4 -267,-0.1 0.144 46.5 -18.8 -98.1-144.2 28.9 102.4 80.3 398 132 B K - 0 0 65 19,-0.2 31,-0.3 -269,-0.1 -1,-0.3 -0.306 69.4-135.4 -61.0 145.5 26.4 105.1 79.8 399 133 B S - 0 0 2 -271,-1.9 2,-0.3 29,-0.1 31,-0.2 -0.651 22.5-174.1-103.4 162.5 27.5 107.8 77.2 400 134 B A E -t 430 0K 12 29,-2.0 31,-2.6 -2,-0.2 2,-0.4 -0.971 21.3-126.8-151.5 165.2 27.2 111.5 77.5 401 135 B T E -t 431 0K 77 -2,-0.3 2,-0.8 29,-0.2 13,-0.3 -0.962 18.1-137.9-119.0 130.6 27.6 114.8 75.6 402 136 B V E -t 432 0K 0 29,-2.6 31,-1.3 -2,-0.4 2,-0.3 -0.792 28.6-159.8 -87.6 110.8 29.7 117.7 77.0 403 137 B A - 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