==== 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 07-MAR-07 2EHL . 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) . 21499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 10.7 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 . 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 . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.4 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 7 0 0 1 4 2 0 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 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 0 131 0, 0.0 106,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 31.9 56.6 96.2 57.5 2 2 A V E -a 107 0A 22 76,-0.2 78,-2.8 104,-0.1 2,-0.4 -0.851 360.0-127.6-133.3 168.1 53.5 96.9 59.5 3 3 A L E -ab 108 80A 0 104,-2.6 106,-2.4 -2,-0.3 2,-0.5 -0.973 17.2-159.8-121.0 130.8 50.5 95.1 61.1 4 4 A Y E -ab 109 81A 35 76,-2.8 78,-3.1 -2,-0.4 2,-0.7 -0.932 7.8-155.9-112.3 128.6 46.8 96.0 60.5 5 5 A F E -ab 110 82A 0 104,-3.0 106,-3.2 -2,-0.5 2,-0.5 -0.920 25.1-174.5 -99.3 115.4 44.0 95.0 62.8 6 6 A I E -ab 111 83A 0 76,-2.3 78,-1.6 -2,-0.7 2,-0.2 -0.953 17.7-143.0-121.8 121.6 41.0 95.1 60.5 7 7 A G E - b 0 84A 0 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.540 4.0-161.8 -78.8 143.6 37.4 94.6 61.6 8 8 A L - 0 0 3 76,-2.9 7,-0.3 78,-0.4 3,-0.2 0.531 39.8-129.7-100.2 -11.0 35.1 92.7 59.2 9 9 A G B -E 86 0B 1 77,-1.6 77,-3.1 75,-0.4 -1,-0.3 -0.343 31.6 -47.0 98.2-176.2 31.8 93.8 60.7 10 10 A L S S- 0 0 1 5,-0.2 30,-0.4 75,-0.2 -1,-0.2 0.821 110.8 -8.6 -69.9 -44.0 28.5 92.4 62.0 11 11 A Y S S+ 0 0 55 1,-0.3 30,-2.2 -3,-0.2 31,-0.3 0.729 112.3 14.5-131.3 -49.5 27.1 90.0 59.5 12 12 A D S > S- 0 0 20 29,-0.2 3,-2.2 28,-0.1 -1,-0.3 -0.787 79.7 -88.4-131.9 177.2 28.6 89.6 56.1 13 13 A E G > S+ 0 0 41 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.720 118.4 63.9 -59.1 -22.5 31.8 90.4 54.1 14 14 A R G 3 S+ 0 0 68 1,-0.2 271,-2.7 270,-0.1 270,-0.4 0.469 81.0 80.7 -82.4 0.5 30.4 93.8 53.0 15 15 A D G < + 0 0 2 -3,-2.2 -1,-0.2 -7,-0.3 -5,-0.2 0.473 69.6 102.7 -83.4 -0.3 30.3 95.0 56.6 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.5 -4,-0.1 269,-0.3 -0.498 83.5-108.3 -75.7 149.5 34.0 95.8 56.3 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.487 20.7-117.9 -78.8 155.6 34.7 99.5 55.8 18 18 A V H > S+ 0 0 12 264,-2.6 4,-2.4 262,-0.3 5,-0.2 0.896 118.5 54.8 -57.4 -38.5 35.9 100.7 52.4 19 19 A K H > S+ 0 0 21 261,-2.5 4,-1.5 263,-0.4 -1,-0.2 0.930 108.9 46.8 -59.9 -46.6 39.1 101.8 54.1 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -2,-0.2 0.890 111.2 51.5 -64.2 -40.4 39.6 98.3 55.6 21 21 A L H X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.943 109.5 48.0 -62.7 -49.9 39.0 96.6 52.2 22 22 A E H X S+ 0 0 73 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.795 114.7 46.7 -63.6 -29.1 41.4 98.7 50.3 23 23 A I H >< S+ 0 0 28 -4,-1.5 3,-0.8 -5,-0.2 4,-0.4 0.906 111.8 49.8 -78.5 -42.4 44.1 98.1 52.9 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.899 103.8 60.6 -61.4 -41.2 43.5 94.4 53.1 25 25 A K H 3< S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 108.4 44.4 -57.4 -28.2 43.7 94.0 49.4 26 26 A K T << S+ 0 0 144 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.407 87.3 109.7-100.2 1.4 47.2 95.4 49.4 27 27 A C < - 0 0 1 -3,-1.5 53,-0.2 -4,-0.4 3,-0.1 -0.472 62.4-142.4 -77.0 150.8 48.6 93.4 52.3 28 28 A D S S+ 0 0 84 51,-2.2 2,-0.4 1,-0.2 52,-0.2 0.854 85.8 24.7 -79.6 -38.0 51.1 90.6 51.6 29 29 A Y E -c 80 0A 110 50,-1.4 52,-2.2 24,-0.1 2,-0.5 -0.986 67.9-161.2-131.3 140.4 49.8 88.2 54.2 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.4 -2,-0.4 2,-0.3 -0.976 11.4 174.2-128.1 123.0 46.4 88.0 55.8 31 31 A F E +cd 82 56A 5 50,-3.4 52,-2.9 -2,-0.5 2,-0.3 -0.734 6.9 174.5-115.8 167.8 45.5 86.2 59.0 32 32 A A E -cd 83 57A 0 24,-1.8 26,-3.2 50,-0.3 2,-0.4 -0.986 21.4-144.5-166.2 165.1 42.2 86.1 60.9 33 33 A E E - d 0 58A 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.992 8.1-177.2-138.8 142.2 40.3 84.6 63.8 34 34 A F + 0 0 53 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.183 63.8 88.8-132.5 40.4 36.6 83.6 64.0 35 35 A Y S S+ 0 0 15 23,-0.1 135,-0.4 135,-0.1 136,-0.1 0.568 75.8 64.2-110.8 -16.3 36.3 82.5 67.6 36 36 A T S S- 0 0 14 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.730 118.8 -9.8 -80.7 -21.6 35.4 85.9 69.2 37 37 A S - 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.962 68.1-106.5-162.4 176.3 32.1 86.2 67.3 38 38 A L - 0 0 35 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.968 10.2-159.7-122.2 125.4 30.0 84.8 64.5 39 39 A M > - 0 0 16 -2,-0.5 3,-0.9 1,-0.1 -28,-0.2 -0.862 15.7-176.1-100.3 97.1 29.4 86.3 61.1 40 40 A A T 3 S+ 0 0 39 -2,-1.0 -1,-0.1 -30,-0.4 -28,-0.1 0.586 70.5 57.5 -73.1 -12.4 26.2 84.5 60.1 41 41 A G T 3 S+ 0 0 18 -30,-2.2 2,-0.2 -31,-0.1 -1,-0.2 0.258 104.7 37.1-106.8 15.3 25.8 86.0 56.7 42 42 A T < - 0 0 19 -3,-0.9 2,-0.3 -31,-0.3 -3,-0.1 -0.827 63.3-131.4-148.0-174.9 29.1 85.0 55.0 43 43 A T > - 0 0 72 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.927 33.6-107.2-140.4 163.3 31.7 82.4 54.6 44 44 A L H > S+ 0 0 69 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.881 121.2 55.5 -59.7 -35.9 35.5 82.3 54.6 45 45 A G H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 105.8 49.1 -64.8 -38.8 35.4 81.8 50.9 46 46 A R H > S+ 0 0 143 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.851 111.8 49.0 -70.4 -34.2 33.3 84.9 50.3 47 47 A I H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.927 110.5 50.8 -70.0 -43.8 35.7 87.0 52.4 48 48 A Q H X>S+ 0 0 56 -4,-2.4 4,-1.7 1,-0.2 5,-1.2 0.882 110.4 50.0 -60.4 -38.9 38.7 85.6 50.6 49 49 A K H <5S+ 0 0 182 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.889 109.6 50.7 -67.4 -40.1 37.1 86.5 47.3 50 50 A L H <5S+ 0 0 47 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.918 120.0 34.3 -64.3 -44.7 36.3 90.1 48.3 51 51 A I H <5S- 0 0 5 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.672 101.1-134.1 -84.6 -18.8 39.8 90.8 49.5 52 52 A G T <5 + 0 0 58 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.846 68.0 108.0 67.9 34.0 41.4 88.6 46.8 53 53 A K S - 0 0 36 -2,-0.3 4,-2.0 -26,-0.1 5,-0.2 -0.416 33.4-101.1 -89.9 170.0 42.6 79.4 66.9 60 60 A R H > S+ 0 0 111 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.911 125.6 47.8 -58.5 -42.8 42.3 81.0 70.3 61 61 A E H >>S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-1.1 0.902 106.6 56.9 -66.2 -40.0 45.4 79.2 71.5 62 62 A D H >5S+ 0 0 50 3,-0.2 4,-0.9 2,-0.2 7,-0.2 0.917 117.7 35.1 -55.8 -43.3 47.3 80.3 68.3 63 63 A V H X5S+ 0 0 2 -4,-2.0 4,-1.5 3,-0.2 5,-0.2 0.973 121.5 41.0 -76.1 -59.2 46.6 83.9 69.2 64 64 A E H <5S+ 0 0 86 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.833 132.3 25.4 -62.2 -33.6 46.7 84.1 73.0 65 65 A L H <5S+ 0 0 103 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.801 136.7 22.0-101.0 -34.8 49.7 81.8 73.2 66 66 A N H >XS+ 0 0 0 -4,-1.5 4,-2.3 1,-0.3 5,-1.4 0.927 83.4 51.2 -59.3 -44.5 50.6 85.5 68.2 68 68 A E H 345S+ 0 0 81 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.570 114.6 44.8 -69.9 -8.4 54.2 86.7 68.4 69 69 A N H <45S+ 0 0 105 -3,-1.2 -1,-0.2 -7,-0.2 -2,-0.2 0.691 122.5 32.1-105.4 -26.8 55.4 83.5 66.8 70 70 A I H <5S+ 0 0 28 -4,-2.0 4,-0.2 -8,-0.2 -2,-0.2 0.842 131.7 18.6 -99.2 -42.6 52.9 83.1 64.0 71 71 A V T >X5S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 3,-1.0 0.905 115.0 55.9 -98.1 -54.2 52.0 86.6 62.9 72 72 A L H 3> S+ 0 0 50 -3,-1.0 3,-1.5 -4,-0.2 4,-1.4 0.832 106.9 62.6 -76.2 -34.0 56.0 88.1 59.0 75 75 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 32,-0.2 0.618 92.9 67.8 -66.9 -12.1 54.8 91.6 59.9 76 76 A K T 3< S+ 0 0 102 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.692 116.1 21.5 -81.4 -18.8 58.5 92.5 60.4 77 77 A E T <4 S+ 0 0 139 -3,-1.5 2,-0.3 -4,-0.2 -2,-0.2 0.411 128.7 31.1-126.7 -3.1 59.3 92.2 56.7 78 78 A N S < S- 0 0 47 -4,-1.4 2,-0.7 -76,-0.1 -76,-0.2 -0.899 86.8 -91.2-146.6 172.7 55.9 92.6 55.0 79 79 A D - 0 0 53 -2,-0.3 -51,-2.2 -78,-0.2 -50,-1.4 -0.839 50.5-172.0 -92.1 119.0 52.5 94.3 55.4 80 80 A V E -bc 3 29A 0 -78,-2.8 -76,-2.8 -2,-0.7 2,-0.4 -0.876 13.2-156.0-117.5 147.7 50.3 92.0 57.4 81 81 A A E -bc 4 30A 0 -52,-2.2 -50,-3.4 -2,-0.3 2,-0.5 -0.947 3.6-162.6-122.7 142.0 46.6 92.1 58.2 82 82 A F E -bc 5 31A 0 -78,-3.1 -76,-2.3 -2,-0.4 2,-0.3 -0.966 18.2-159.1-124.3 109.8 44.8 90.4 61.1 83 83 A L E +bc 6 32A 0 -52,-2.9 -50,-1.7 -2,-0.5 -76,-0.2 -0.655 12.9 175.8 -93.7 147.2 41.0 90.2 60.5 84 84 A T E -b 7 0A 0 -78,-1.6 -76,-2.9 -2,-0.3 -75,-0.4 -0.970 36.2 -95.7-142.5 154.9 38.3 89.8 63.1 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.342 92.5 -12.5 -60.0 153.9 34.5 89.7 63.2 86 86 A G B S-E 9 0B 1 -77,-3.1 -77,-1.6 -79,-0.1 -78,-0.4 -0.224 129.2 -14.1 53.7-139.5 32.9 93.0 64.2 87 87 A D > - 0 0 0 446,-2.7 3,-1.5 -80,-0.2 25,-0.1 -0.850 67.1-134.0 -95.8 131.9 35.3 95.6 65.6 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.726 100.3 42.5 -58.4 -24.4 38.7 94.0 66.5 89 89 A L T 3 S+ 0 0 7 5,-0.1 2,-0.6 444,-0.1 304,-0.3 0.176 89.4 99.1-111.6 18.8 39.0 95.7 69.9 90 90 A V S < S- 0 0 0 -3,-1.5 -3,-0.1 1,-0.2 3,-0.1 -0.923 102.7 -14.1-110.2 120.1 35.5 95.4 71.3 91 91 A A S S+ 0 0 40 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.867 118.3 94.9 58.9 35.7 34.7 92.6 73.7 92 92 A T S S- 0 0 22 -3,-0.2 -1,-0.3 441,-0.1 301,-0.2 -0.842 78.1-128.9-138.6 173.1 38.0 90.9 72.8 93 93 A T S > S+ 0 0 83 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.070 74.3 113.9-112.3 23.7 41.4 91.0 74.4 94 94 A H G > + 0 0 2 -6,-0.4 3,-1.4 1,-0.2 4,-0.5 0.713 57.6 76.9 -68.7 -19.7 43.1 91.8 71.0 95 95 A A G > S+ 0 0 16 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.904 88.0 61.2 -56.7 -36.8 44.2 95.3 72.2 96 96 A E G X> S+ 0 0 44 -3,-1.0 4,-1.4 1,-0.3 3,-1.2 0.773 90.0 69.2 -60.0 -26.9 46.9 93.5 74.2 97 97 A L H <> S+ 0 0 2 -3,-1.4 4,-2.1 -4,-0.3 -1,-0.3 0.723 88.8 63.7 -66.3 -20.0 48.3 92.2 70.9 98 98 A R H <> S+ 0 0 26 -3,-1.9 4,-1.9 -4,-0.5 -1,-0.3 0.776 100.0 52.8 -73.5 -25.0 49.3 95.8 70.0 99 99 A I H <> S+ 0 0 2 -3,-1.2 4,-2.2 -4,-0.5 -2,-0.2 0.891 108.7 49.1 -74.3 -39.8 51.7 95.7 73.0 100 100 A R H X S+ 0 0 37 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.908 109.9 52.7 -64.3 -40.5 53.2 92.4 71.6 101 101 A A H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 3,-0.5 0.926 108.9 49.1 -60.6 -45.6 53.5 94.1 68.2 102 102 A K H ><5S+ 0 0 101 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.924 108.4 52.6 -60.2 -45.6 55.4 97.1 69.7 103 103 A R H 3<5S+ 0 0 168 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 107.5 53.6 -63.7 -23.3 57.8 94.8 71.7 104 104 A A T 3<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.381 120.3-110.0 -91.3 2.2 58.6 93.0 68.4 105 105 A G T < 5S+ 0 0 65 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.776 74.9 136.4 77.3 22.9 59.4 96.3 66.7 106 106 A V < - 0 0 3 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.910 50.5-137.5-110.0 126.5 56.3 96.2 64.5 107 107 A E E -a 2 0A 126 -106,-0.7 -104,-2.6 -2,-0.5 2,-0.3 -0.578 25.3-161.1 -76.4 139.2 54.1 99.3 64.0 108 108 A S E -a 3 0A 15 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.926 11.0-167.4-126.6 152.0 50.4 98.5 64.1 109 109 A Y E -a 4 0A 53 -106,-2.4 -104,-3.0 -2,-0.3 2,-0.5 -0.950 13.1-138.6-133.1 152.7 47.3 100.3 62.9 110 110 A V E -a 5 0A 7 -2,-0.3 2,-0.6 368,-0.2 -104,-0.2 -0.953 9.7-169.3-120.5 129.9 43.6 99.7 63.6 111 111 A I E -a 6 0A 4 -106,-3.2 -104,-2.3 -2,-0.5 -94,-0.1 -0.969 21.6-143.9-116.5 115.5 40.7 99.8 61.2 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.202 16.6-173.9 -74.6 165.8 37.3 99.8 62.8 113 113 A A - 0 0 0 -97,-0.1 268,-0.2 266,-0.1 -97,-0.1 -0.955 44.5 -64.3-151.9 161.4 34.1 98.1 61.6 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.270 56.3-157.2 -55.6 136.1 30.5 98.1 62.8 115 115 A S >> - 0 0 0 264,-0.3 4,-2.4 -29,-0.2 3,-1.0 -0.873 27.6-129.2-118.6 148.7 30.2 96.5 66.3 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.823 106.1 70.6 -63.5 -28.1 27.3 94.9 68.1 117 117 A Y H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.842 113.8 24.2 -58.3 -36.1 28.2 97.2 71.1 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-2.0 1,-0.1 -1,-0.2 0.701 109.4 74.2-101.3 -23.4 26.9 100.2 69.1 119 119 A A H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 -2,-0.2 0.721 75.8 81.9 -62.4 -19.5 24.5 98.3 66.8 120 120 A V G ><> + 0 0 0 -4,-1.2 3,-2.0 1,-0.3 5,-0.6 0.626 68.8 84.3 -61.9 -9.0 22.2 97.9 69.8 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.9 1,-0.3 -1,-0.3 0.783 74.3 72.0 -63.3 -22.9 21.1 101.5 68.9 122 122 A I G < 5S+ 0 0 5 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.611 83.5 69.5 -68.7 -9.3 18.8 99.8 66.4 123 123 A T G < 5S- 0 0 0 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.600 112.1-117.6 -82.5 -10.8 16.7 98.6 69.4 124 124 A G T < 5S+ 0 0 4 -3,-1.9 2,-0.3 1,-0.3 125,-0.2 0.391 72.7 132.2 90.4 -5.3 15.6 102.2 70.0 125 125 A L < - 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0 0 40 54,-0.0 2,-0.3 49,-0.0 -1,-0.2 -0.974 65.1-114.1-173.0-176.9 28.1 115.2 64.2 304 38 B L - 0 0 12 -2,-0.3 2,-0.8 -3,-0.1 3,-0.1 -0.854 19.7-123.3-129.5 167.1 30.6 115.9 61.4 305 39 B M > - 0 0 12 -2,-0.3 3,-1.7 1,-0.1 -28,-0.2 -0.830 32.1-174.7-111.2 85.8 33.0 113.9 59.3 306 40 B A T 3 S+ 0 0 31 -2,-0.8 -1,-0.1 -30,-0.3 -28,-0.1 0.727 73.6 57.3 -55.7 -30.3 36.2 115.9 60.1 307 41 B G T 3 S+ 0 0 19 -30,-2.0 -28,-0.3 -3,-0.1 -1,-0.3 0.295 112.6 28.2 -89.7 11.9 38.5 114.1 57.8 308 42 B T S < S- 0 0 13 -3,-1.7 2,-0.3 -31,-0.3 -3,-0.1 -0.804 71.0-119.0-150.7-170.3 36.6 114.7 54.6 309 43 B T > - 0 0 70 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.887 31.5-108.3-135.8 166.6 34.1 117.1 52.8 310 44 B L H > S+ 0 0 64 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.912 120.0 55.9 -62.2 -40.0 30.7 116.9 51.3 311 45 B G H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 106.8 47.9 -60.4 -39.1 32.2 117.0 47.9 312 46 B R H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 113.1 47.1 -71.4 -37.2 34.5 114.0 48.5 313 47 B I H X S+ 0 0 8 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.926 112.9 50.6 -67.9 -42.7 31.6 111.9 49.9 314 48 B Q H X>S+ 0 0 63 -4,-2.8 4,-2.4 1,-0.2 5,-0.7 0.883 110.4 49.1 -62.1 -40.5 29.5 113.0 47.0 315 49 B K H <5S+ 0 0 173 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.889 110.1 51.1 -67.8 -39.3 32.2 112.0 44.5 316 50 B L H <5S+ 0 0 40 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.925 116.4 39.8 -64.0 -44.9 32.7 108.6 46.1 317 51 B I H <5S- 0 0 4 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.839 102.5-138.1 -73.1 -33.5 29.0 107.8 46.0 318 52 B G T <5 + 0 0 54 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.549 67.8 91.2 87.8 7.8 28.7 109.4 42.5 319 53 B K S - 0 0 54 -2,-0.4 4,-2.0 -26,-0.1 5,-0.2 -0.336 35.2 -97.4 -83.9 173.2 19.4 120.8 58.7 326 60 B R H > S+ 0 0 103 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.924 127.8 47.2 -58.8 -44.3 18.3 119.9 62.2 327 61 B E H >>S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 5,-1.1 0.894 106.0 58.7 -65.2 -38.4 15.0 121.6 61.6 328 62 B D H >5S+ 0 0 31 3,-0.2 4,-0.8 2,-0.2 7,-0.2 0.914 115.6 36.0 -55.0 -44.5 14.6 119.9 58.2 329 63 B V H X5S+ 0 0 3 -4,-2.0 4,-1.5 3,-0.2 5,-0.2 0.973 121.7 42.4 -73.6 -57.6 14.8 116.5 60.0 330 64 B E H <5S+ 0 0 87 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.875 130.7 23.2 -59.9 -42.2 13.0 117.3 63.3 331 65 B L H <5S+ 0 0 102 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.817 137.3 21.7 -96.2 -33.3 10.1 119.3 61.8 332 66 B N H >XS+ 0 0 0 -4,-1.5 4,-2.2 1,-0.3 5,-1.4 0.900 81.9 53.2 -51.3 -44.3 11.5 114.7 57.7 334 68 B E H 345S+ 0 0 84 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.545 113.1 43.0 -71.2 -7.7 8.2 113.3 56.4 335 69 B N H <45S+ 0 0 108 -3,-2.0 -1,-0.2 -7,-0.2 -2,-0.2 0.564 122.3 35.5-111.1 -14.8 7.8 116.1 53.8 336 70 B I H <5S+ 0 0 34 -4,-1.5 4,-0.3 -3,-0.5 -2,-0.2 0.833 131.4 16.7-103.7 -49.4 11.4 116.1 52.5 337 71 B V T X5S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.3 3,-0.4 0.895 118.2 55.5 -94.3 -48.0 12.7 112.6 52.6 338 72 B L H >4 S+ 0 0 69 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.930 108.9 41.3 -56.1 -44.9 7.7 111.3 49.8 340 74 B L H >> S+ 0 0 55 -3,-0.4 4,-1.0 -4,-0.3 3,-0.8 0.808 106.5 63.5 -71.4 -29.8 10.4 110.2 47.4 341 75 B A H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 32,-0.2 0.676 90.0 72.0 -68.1 -15.6 11.0 107.0 49.4 342 76 B K T << S+ 0 0 81 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.869 116.4 15.0 -68.2 -38.0 7.4 106.0 48.6 343 77 B E T <4 S+ 0 0 166 -3,-0.8 2,-0.3 -4,-0.5 -2,-0.2 0.287 128.6 43.1-120.4 8.6 8.2 105.3 44.9 344 78 B N S < S- 0 0 45 -4,-1.0 -76,-1.3 -76,-0.1 2,-0.6 -0.871 86.0 -97.0-143.4 173.9 12.0 105.1 44.9 345 79 B D E -n 268 0H 61 -2,-0.3 -51,-2.2 -53,-0.2 -50,-1.3 -0.889 47.7-170.3 -96.2 123.6 14.9 103.7 46.9 346 80 B V E -np 269 295H 0 -78,-3.0 -76,-3.1 -2,-0.6 2,-0.4 -0.936 12.7-152.9-122.4 141.8 16.2 106.5 49.1 347 81 B A E -np 270 296H 0 -52,-2.4 -50,-3.1 -2,-0.4 2,-0.5 -0.876 3.7-166.0-112.1 144.1 19.3 106.8 51.3 348 82 B F E -np 271 297H 0 -78,-2.8 -76,-2.3 -2,-0.4 2,-0.3 -0.939 16.6-155.8-129.7 105.2 19.7 108.9 54.4 349 83 B L E +np 272 298H 0 -52,-2.8 -50,-2.0 -2,-0.5 -76,-0.2 -0.615 14.1 178.6 -85.4 141.3 23.4 109.2 55.4 350 84 B T E -n 273 0H 0 -78,-2.2 -76,-2.7 -2,-0.3 -75,-0.4 -0.988 34.3-102.4-139.9 147.6 24.5 110.0 58.9 351 85 B P S S- 0 0 11 0, 0.0 -75,-0.1 0, 0.0 2,-0.1 -0.346 88.9 -7.5 -64.7 154.3 27.9 110.3 60.6 352 86 B G B S-R 275 0I 14 -77,-2.6 -77,-1.9 -79,-0.1 29,-0.2 -0.341 122.1 -16.3 66.6-138.3 29.0 107.3 62.6 353 87 B D S >> S- 0 0 3 -80,-0.2 3,-1.6 -79,-0.1 4,-0.5 -0.909 77.7-109.1-107.0 126.5 26.5 104.5 63.2 354 88 B P T 34 S+ 0 0 0 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.284 99.0 18.5 -58.7 141.7 22.8 105.2 62.6 355 89 B L T 34 S+ 0 0 5 2,-0.1 -228,-0.3 -233,-0.1 -231,-0.1 0.497 91.2 102.3 75.3 7.5 20.7 105.4 65.7 356 90 B V T <4 S+ 0 0 23 -3,-1.6 -229,-0.5 -230,-0.1 2,-0.3 0.877 70.4 74.8 -75.3 -43.3 23.5 105.9 68.1 357 91 B A S >X S- 0 0 29 -4,-0.5 3,-1.3 1,-0.1 4,-0.5 -0.533 96.5-129.4 -60.4 127.1 22.5 109.5 68.1 358 92 B T T 34 S+ 0 0 62 -2,-0.3 4,-0.4 1,-0.2 3,-0.3 0.763 99.9 56.0 -56.7 -29.9 19.3 109.5 70.2 359 93 B T T 34 S+ 0 0 47 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.677 90.0 75.0 -79.5 -16.3 17.0 111.3 67.7 360 94 B H T X4 S+ 0 0 1 -3,-1.3 3,-1.6 1,-0.2 4,-0.5 0.903 83.7 65.0 -60.6 -46.8 17.6 108.9 64.8 361 95 B A T >X S+ 0 0 9 -4,-0.5 3,-1.9 -3,-0.3 4,-0.6 0.851 93.7 57.6 -47.0 -48.1 15.4 106.1 66.1 362 96 B E H >> S+ 0 0 45 -4,-0.4 4,-1.6 -3,-0.3 3,-0.8 0.756 92.8 71.0 -59.7 -24.0 12.1 108.0 65.9 363 97 B L H <> S+ 0 0 1 -3,-1.6 4,-1.9 -4,-0.5 -1,-0.3 0.779 91.0 59.3 -64.4 -25.2 12.6 108.6 62.2 364 98 B R H <> S+ 0 0 28 -3,-1.9 4,-1.7 -4,-0.5 -1,-0.3 0.804 103.1 52.1 -72.4 -28.0 12.0 104.9 61.6 365 99 B I H S+ 0 0 0 -4,-1.9 5,-3.1 1,-0.2 -1,-0.2 0.923 109.2 50.0 -60.9 -43.9 8.8 105.9 57.9 368 102 B K H ><5S+ 0 0 98 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.924 108.4 52.7 -59.5 -45.9 6.4 103.3 59.2 369 103 B R H 3<5S+ 0 0 166 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.8 50.4 -58.8 -35.5 3.6 105.9 59.4 370 104 B A T 3<5S- 0 0 37 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.389 119.1-111.9 -85.0 3.2 4.3 106.9 55.8 371 105 B G T < 5S+ 0 0 33 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.808 72.5 139.1 70.6 29.9 4.1 103.3 54.7 372 106 B V < - 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