==== 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 18-MAR-07 2P6K . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YAMAMOTO,Y.MATSUURA,N.ONO,T.NAKAMOTO,N.KUNISHIMA,RIKEN STR . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.5 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 . 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 . 43 8.1 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 5 0 1 0 4 3 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 3 4 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 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 0 135 0, 0.0 78,-0.3 0, 0.0 106,-0.3 0.000 360.0 360.0 360.0 135.7 55.6 98.2 54.7 2 2 A V E -a 79 0A 11 76,-1.8 78,-3.6 72,-0.1 2,-0.5 -0.973 360.0-122.8-170.8 159.3 52.7 98.5 57.1 3 3 A L E -ab 80 108A 0 104,-2.5 106,-2.2 -2,-0.3 2,-0.4 -0.972 20.7-162.2-121.3 130.9 49.9 96.6 58.8 4 4 A Y E -ab 81 109A 35 76,-3.0 78,-2.8 -2,-0.5 2,-0.7 -0.923 10.5-154.6-111.4 131.3 46.2 97.5 58.5 5 5 A F E -ab 82 110A 0 104,-3.0 106,-3.2 -2,-0.4 2,-0.5 -0.935 25.9-173.8-101.2 112.8 43.4 96.3 60.8 6 6 A I E -ab 83 111A 0 76,-2.4 78,-1.7 -2,-0.7 2,-0.2 -0.942 17.0-142.5-119.5 120.5 40.3 96.6 58.6 7 7 A G E -a 84 0A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.510 4.0-160.8 -76.3 144.1 36.8 96.0 59.8 8 8 A L - 0 0 2 76,-3.2 7,-0.3 78,-0.4 3,-0.2 0.498 39.4-128.2-101.4 -8.0 34.4 94.2 57.4 9 9 A G B -E 86 0B 1 77,-1.6 77,-3.8 75,-0.4 -1,-0.3 -0.354 32.4 -49.2 96.1-174.3 31.2 95.3 59.0 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.1 0.867 111.3 -6.0 -74.1 -49.0 28.0 93.8 60.4 11 11 A Y S S+ 0 0 53 1,-0.3 30,-2.3 28,-0.2 31,-0.3 0.799 112.7 12.5-124.8 -50.4 26.4 91.4 57.8 12 12 A D S > S- 0 0 17 29,-0.1 3,-1.5 28,-0.1 -1,-0.3 -0.655 79.1 -88.4-129.1-174.9 28.0 91.2 54.3 13 13 A E G > S+ 0 0 41 28,-0.3 3,-0.8 1,-0.3 271,-0.1 0.665 117.9 64.4 -69.9 -18.5 31.0 92.1 52.3 14 14 A R G 3 S+ 0 0 62 1,-0.2 271,-2.7 270,-0.1 270,-0.3 0.463 80.8 81.7 -86.4 2.6 29.6 95.5 51.3 15 15 A D G < + 0 0 1 -3,-1.5 -1,-0.2 -7,-0.3 -5,-0.2 0.422 68.6 103.8 -85.3 3.9 29.6 96.6 55.0 16 16 A I S < S- 0 0 1 -3,-0.8 268,-2.5 97,-0.1 269,-0.3 -0.525 82.0-110.1 -78.2 151.1 33.3 97.4 54.6 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.2 95,-0.3 266,-0.3 -0.501 21.1-116.3 -81.8 157.0 33.9 101.2 54.3 18 18 A V H > S+ 0 0 15 264,-2.7 4,-2.5 262,-0.3 5,-0.3 0.907 118.8 56.4 -58.3 -37.0 35.1 102.6 51.0 19 19 A K H > S+ 0 0 2 261,-2.7 4,-1.8 263,-0.4 -1,-0.2 0.943 107.6 47.4 -56.7 -49.8 38.3 103.5 52.7 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -1,-0.2 0.851 111.5 50.7 -62.6 -37.9 38.8 99.9 53.8 21 21 A L H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.948 110.4 46.0 -68.4 -48.5 38.2 98.5 50.4 22 22 A E H X S+ 0 0 73 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.876 117.2 45.4 -70.2 -24.9 40.5 100.7 48.4 23 23 A I H >< S+ 0 0 20 -4,-1.8 3,-1.2 -5,-0.3 4,-0.5 0.954 112.5 50.7 -75.7 -45.1 43.3 100.2 51.0 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.865 104.5 60.1 -57.9 -37.0 42.6 96.4 51.1 25 25 A K H 3< S+ 0 0 73 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.768 106.8 44.6 -64.6 -25.5 42.8 96.3 47.3 26 26 A K T << S+ 0 0 151 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.377 87.3 112.3-104.4 8.2 46.4 97.6 47.2 27 27 A C < - 0 0 0 -3,-1.0 53,-0.2 -4,-0.5 3,-0.1 -0.440 62.0-142.2 -76.2 153.3 47.8 95.4 50.1 28 28 A D S S+ 0 0 83 51,-2.7 2,-0.4 1,-0.3 52,-0.2 0.856 86.4 22.1 -83.2 -37.9 50.3 92.7 49.2 29 29 A Y E -c 80 0A 110 50,-1.5 52,-2.1 24,-0.1 2,-0.5 -0.991 68.5-161.2-132.7 139.3 49.0 90.1 51.6 30 30 A V E +cd 81 55A 8 24,-0.5 26,-2.2 -2,-0.4 2,-0.3 -0.979 10.8 176.3-126.6 123.7 45.6 89.8 53.2 31 31 A F E +cd 82 56A 10 50,-2.9 52,-3.0 -2,-0.5 2,-0.3 -0.764 5.7 179.1-116.5 166.4 44.8 87.9 56.4 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.5 50,-0.3 2,-0.4 -0.992 19.3-148.2-162.8 158.2 41.5 87.6 58.2 33 33 A E E - d 0 58A 0 50,-2.0 26,-0.1 -2,-0.3 24,-0.0 -0.984 7.9-177.9-132.2 144.2 39.7 86.0 61.2 34 34 A F + 0 0 58 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.129 63.2 87.6-133.4 37.5 36.1 85.0 61.4 35 35 A Y S S+ 0 0 14 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.607 75.2 64.9-109.6 -17.1 35.8 83.6 64.9 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.719 118.3 -5.7 -79.4 -21.6 35.0 86.9 66.9 37 37 A S S S- 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.975 70.3-106.9-160.5 174.7 31.7 87.3 65.1 38 38 A L - 0 0 33 -2,-0.3 2,-1.1 -28,-0.1 -3,-0.1 -0.947 11.1-162.5-119.1 121.3 29.4 86.0 62.4 39 39 A M > - 0 0 15 -2,-0.5 3,-1.1 1,-0.1 -28,-0.2 -0.799 16.0-175.6 -98.6 90.1 28.8 87.8 59.0 40 40 A A T 3 S+ 0 0 37 -2,-1.1 -1,-0.1 -30,-0.4 -28,-0.1 0.520 70.3 57.0 -67.7 -8.9 25.6 85.9 58.1 41 41 A G T 3 S+ 0 0 16 -30,-2.3 -28,-0.3 -31,-0.1 2,-0.3 0.257 104.0 37.9-113.8 20.2 25.2 87.5 54.7 42 42 A T < - 0 0 20 -3,-1.1 2,-0.3 -31,-0.3 -3,-0.1 -0.861 61.1-136.6-150.5-176.4 28.4 86.7 52.8 43 43 A T > - 0 0 76 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.911 35.7-102.9-142.2 167.0 31.1 84.1 52.2 44 44 A L H > S+ 0 0 66 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.913 120.1 56.1 -58.8 -42.8 34.9 84.2 52.0 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 105.5 49.8 -56.7 -44.7 34.7 83.9 48.2 46 46 A R H > S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 112.4 47.6 -65.0 -35.8 32.5 87.0 47.9 47 47 A I H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.942 112.5 48.9 -69.5 -47.1 34.9 89.0 50.1 48 48 A Q H X>S+ 0 0 55 -4,-3.0 4,-2.4 1,-0.2 5,-1.0 0.921 111.3 51.2 -57.0 -44.0 37.9 87.8 48.1 49 49 A K H <5S+ 0 0 184 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.940 111.7 46.3 -58.1 -50.0 36.1 88.7 44.9 50 50 A L H <5S+ 0 0 47 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.915 120.3 37.5 -61.5 -45.3 35.3 92.2 46.1 51 51 A I H <5S- 0 0 4 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.738 100.6-135.2 -82.1 -22.0 38.8 92.9 47.4 52 52 A G T <5 + 0 0 56 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.833 67.6 101.8 72.3 31.4 40.5 91.0 44.5 53 53 A K S - 0 0 37 -2,-0.3 4,-2.1 -26,-0.1 5,-0.2 -0.467 35.1 -99.6 -90.0 171.0 42.1 80.6 63.7 60 60 A R H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.892 126.4 49.0 -57.6 -39.7 42.0 81.9 67.3 61 61 A E H >>S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 5,-1.1 0.895 106.1 55.2 -68.0 -40.4 45.2 80.1 68.1 62 62 A D H >5S+ 0 0 40 3,-0.2 4,-0.9 2,-0.2 7,-0.2 0.927 118.6 36.1 -56.9 -43.9 47.0 81.4 65.0 63 63 A V H X5S+ 0 0 2 -4,-2.1 4,-1.7 3,-0.2 5,-0.2 0.989 121.2 40.6 -72.1 -65.8 46.1 84.9 66.1 64 64 A E H <5S+ 0 0 73 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.825 133.2 23.6 -56.7 -35.3 46.4 84.8 69.9 65 65 A L H <5S+ 0 0 105 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.817 136.0 24.7-100.7 -36.1 49.5 82.6 69.9 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 5,-1.5 0.952 85.8 47.4 -53.6 -45.9 50.1 86.6 65.2 68 68 A E H 345S+ 0 0 76 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.624 116.4 45.9 -70.5 -11.3 53.8 87.9 65.4 69 69 A N H <45S+ 0 0 102 -3,-1.4 -1,-0.2 -7,-0.2 -2,-0.2 0.734 124.1 28.8-100.6 -28.4 54.9 84.7 63.6 70 70 A I H <5S+ 0 0 30 -4,-2.6 4,-0.3 -8,-0.2 -3,-0.2 0.849 133.1 19.9-100.0 -45.9 52.4 84.6 60.8 71 71 A V T >X5S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.4 3,-0.9 0.930 114.6 56.6 -93.2 -56.3 51.3 88.2 60.1 72 72 A L T 344 S+ 0 0 59 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.924 106.2 44.5 -59.5 -42.8 56.9 89.1 59.4 74 74 A L G X> S+ 0 0 51 -3,-0.9 4,-1.7 -4,-0.3 3,-1.5 0.829 103.7 64.9 -65.9 -36.9 55.3 90.0 56.1 75 75 A A G 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 32,-0.2 0.583 91.5 65.6 -66.5 -9.8 54.4 93.5 57.3 76 76 A K G <4 S+ 0 0 95 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.708 119.0 20.4 -84.8 -19.6 58.0 94.4 57.6 77 77 A E T <4 S+ 0 0 145 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.389 128.6 35.3-124.1 -9.4 58.6 94.1 53.9 78 78 A N S < S- 0 0 42 -4,-1.7 -76,-1.8 -5,-0.1 2,-0.7 -0.878 84.0 -95.4-142.0 173.1 55.0 94.5 52.5 79 79 A D E -a 2 0A 51 -78,-0.3 -51,-2.7 -2,-0.3 -50,-1.5 -0.869 50.6-174.9 -94.3 117.7 51.7 96.3 53.0 80 80 A V E -ac 3 29A 0 -78,-3.6 -76,-3.0 -2,-0.7 2,-0.3 -0.907 14.2-161.6-120.4 139.7 49.6 93.8 55.0 81 81 A A E -ac 4 30A 0 -52,-2.1 -50,-2.9 -2,-0.4 2,-0.5 -0.931 6.3-159.4-116.3 154.2 45.9 93.8 56.1 82 82 A F E -ac 5 31A 0 -78,-2.8 -76,-2.4 -2,-0.3 2,-0.3 -0.981 19.0-154.9-128.2 111.7 44.1 91.8 58.7 83 83 A L E +ac 6 32A 0 -52,-3.0 -50,-2.0 -2,-0.5 -76,-0.2 -0.669 15.8 173.9 -93.9 146.1 40.3 91.7 58.2 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-3.2 -2,-0.3 -75,-0.4 -0.981 36.3 -98.3-145.8 154.7 37.7 91.1 60.9 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.341 91.5 -10.1 -68.4 159.2 33.9 91.2 61.1 86 86 A G B S-E 9 0B 1 -77,-3.8 -77,-1.6 -79,-0.1 -78,-0.4 -0.171 129.1 -14.9 52.0-141.8 32.4 94.4 62.5 87 87 A D > - 0 0 0 446,-2.7 3,-1.7 -80,-0.2 25,-0.1 -0.841 66.7-133.7 -95.1 129.0 34.9 96.8 63.9 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.717 100.8 41.4 -52.6 -28.1 38.3 95.2 64.6 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 3,-0.3 0.256 88.8 103.1-108.6 11.2 38.7 96.6 68.1 90 90 A V S < S- 0 0 0 -3,-1.7 -3,-0.1 1,-0.2 3,-0.1 -0.861 101.4 -18.2-104.3 118.0 35.2 96.2 69.5 91 91 A A S S+ 0 0 43 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.889 117.5 97.3 54.5 46.0 34.6 93.3 72.0 92 92 A T S S- 0 0 22 -3,-0.3 -1,-0.3 441,-0.1 3,-0.2 -0.848 79.5-126.5-141.8 175.3 37.7 91.6 70.8 93 93 A T S > S+ 0 0 87 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 0.117 76.0 113.8-112.6 18.1 41.2 91.5 72.2 94 94 A H T > + 0 0 0 -6,-0.4 3,-1.3 1,-0.2 4,-0.5 0.727 57.2 76.1 -62.9 -23.8 42.7 92.6 68.9 95 95 A A T >> S+ 0 0 16 1,-0.3 3,-1.7 -3,-0.2 4,-0.5 0.870 88.9 59.2 -56.7 -36.2 43.9 96.0 70.3 96 96 A E H X> S+ 0 0 57 -3,-1.1 4,-1.5 1,-0.3 3,-0.9 0.779 90.8 69.9 -66.1 -23.2 46.7 94.2 72.0 97 97 A L H <> S+ 0 0 3 -3,-1.3 4,-1.9 -4,-0.4 -1,-0.3 0.759 90.1 62.4 -64.7 -21.1 47.9 93.0 68.6 98 98 A R H <> S+ 0 0 25 -3,-1.7 4,-2.3 -4,-0.5 -1,-0.3 0.823 99.5 53.9 -72.5 -29.7 48.9 96.6 67.9 99 99 A I H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 3,-0.5 0.947 110.4 47.8 -61.7 -46.6 53.1 95.2 65.9 102 102 A K H ><5S+ 0 0 94 -4,-2.3 3,-2.7 1,-0.2 -2,-0.2 0.963 109.2 50.5 -59.0 -53.8 54.9 98.1 67.7 103 103 A R H 3<5S+ 0 0 159 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.706 109.8 53.6 -66.1 -9.2 57.4 95.9 69.5 104 104 A A T <<5S- 0 0 37 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.382 120.5-109.8-101.1 7.4 58.2 94.2 66.1 105 105 A G T < 5S+ 0 0 65 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.766 74.9 134.7 74.6 24.1 58.8 97.6 64.5 106 106 A V < - 0 0 3 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.923 49.2-139.8-110.5 124.9 55.7 97.5 62.4 107 107 A E - 0 0 133 -2,-0.5 -104,-2.5 -106,-0.3 2,-0.3 -0.585 23.3-161.5 -81.3 141.7 53.5 100.5 62.1 108 108 A S E -b 3 0A 14 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.931 10.9-163.8-127.8 151.8 49.8 99.8 62.1 109 109 A Y E -b 4 0A 65 -106,-2.2 -104,-3.0 -2,-0.3 2,-0.5 -0.953 13.1-138.5-132.2 148.9 46.6 101.6 61.1 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 367,-0.2 -104,-0.2 -0.930 9.8-169.0-115.0 128.1 43.0 101.0 61.9 111 111 A I E -b 6 0A 4 -106,-3.2 -104,-2.4 -2,-0.5 -94,-0.1 -0.954 21.3-145.2-112.9 114.4 40.1 101.3 59.5 112 112 A H - 0 0 7 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.253 16.7-175.0 -73.9 164.2 36.8 101.2 61.3 113 113 A A - 0 0 0 266,-0.1 268,-0.2 -97,-0.1 266,-0.1 -0.947 44.8 -62.2-150.5 163.2 33.5 99.6 60.1 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.268 56.5-158.9 -55.5 137.4 30.0 99.4 61.4 115 115 A S >> - 0 0 0 264,-0.3 4,-2.1 -29,-0.2 3,-1.0 -0.885 28.8-127.1-120.1 149.9 29.8 97.7 64.8 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.825 106.7 71.9 -62.0 -28.8 26.9 96.0 66.6 117 117 A Y H 34 S+ 0 0 2 1,-0.2 -1,-0.2 2,-0.2 3,-0.0 0.851 113.1 23.1 -57.0 -38.0 27.9 98.2 69.5 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-1.5 1,-0.1 -1,-0.2 0.624 110.0 73.6-102.6 -19.6 26.5 101.4 67.8 119 119 A A H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.586 75.8 82.6 -67.7 -11.5 24.1 99.6 65.4 120 120 A V G ><> + 0 0 0 -4,-0.8 3,-2.3 1,-0.3 5,-0.5 0.650 68.5 85.2 -65.9 -10.6 21.9 99.0 68.4 121 121 A G G X 5S+ 0 0 1 -3,-1.5 3,-1.7 1,-0.3 -1,-0.3 0.781 74.3 70.0 -59.7 -25.1 20.7 102.5 67.7 122 122 A I G < 5S+ 0 0 5 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.619 83.6 70.3 -69.5 -11.2 18.2 100.9 65.3 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.622 111.7-119.0 -79.1 -12.7 16.3 99.5 68.3 124 124 A G T < 5S+ 0 0 4 -3,-1.7 2,-0.3 1,-0.3 125,-0.1 0.313 71.9 132.8 92.1 -9.6 15.2 103.0 69.0 125 125 A L < - 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0 0 1 -3,-1.2 53,-0.2 -4,-0.6 3,-0.1 -0.540 64.8-145.3 -80.6 145.0 18.5 106.9 44.7 294 28 B D S S+ 0 0 88 51,-2.2 2,-0.4 1,-0.2 52,-0.2 0.823 87.4 22.9 -75.7 -35.6 16.5 109.4 42.8 295 29 B Y E -p 346 0H 106 50,-1.4 52,-2.4 24,-0.1 2,-0.5 -0.996 68.9-160.4-135.9 139.1 16.9 112.1 45.5 296 30 B V E +p 347 0H 7 24,-0.5 26,-2.2 -2,-0.4 2,-0.2 -0.973 10.5 179.1-127.9 121.9 19.6 112.5 48.2 297 31 B F E -pq 348 322H 5 50,-3.4 52,-2.9 -2,-0.5 2,-0.3 -0.709 3.3-178.6-111.8 166.9 19.2 114.5 51.3 298 32 B A E -pq 349 323H 0 24,-1.5 26,-2.8 50,-0.3 2,-0.4 -0.984 15.6-149.0-160.6 157.0 21.7 115.1 54.2 299 33 B E E + q 0 324H 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.992 10.8 179.8-133.5 142.0 22.0 116.8 57.5 300 34 B F + 0 0 33 24,-0.6 26,-0.1 -2,-0.4 25,-0.1 -0.265 62.7 90.1-134.0 44.1 25.1 118.2 59.1 301 35 B Y S S+ 0 0 7 23,-0.1 135,-0.3 24,-0.1 3,-0.1 0.635 81.5 54.9-110.9 -25.4 23.8 119.6 62.3 302 36 B T S S- 0 0 43 1,-0.3 2,-0.3 134,-0.1 -2,-0.1 0.772 132.5 -31.0 -77.0 -25.1 24.1 116.6 64.5 303 37 B S - 0 0 47 -4,-0.0 -1,-0.3 132,-0.0 2,-0.3 -0.970 64.0-111.5-176.2 173.3 27.8 116.6 63.5 304 38 B L - 0 0 10 -2,-0.3 2,-0.9 -3,-0.1 3,-0.1 -0.838 17.0-129.1-122.3 159.0 30.2 117.5 60.8 305 39 B M > - 0 0 14 -2,-0.3 3,-1.4 1,-0.1 -28,-0.1 -0.828 31.9-178.2-105.2 86.5 32.4 115.4 58.5 306 40 B A T 3 S+ 0 0 39 -2,-0.9 -1,-0.1 -30,-0.3 -28,-0.1 0.681 71.0 60.0 -65.6 -20.4 35.6 117.4 59.2 307 41 B G T 3 S+ 0 0 21 -30,-2.2 -1,-0.3 -3,-0.1 2,-0.2 0.380 112.7 23.1 -93.2 10.7 37.9 115.5 56.8 308 42 B T S < S- 0 0 15 -3,-1.4 2,-0.3 -31,-0.3 -3,-0.1 -0.806 72.6-115.7-152.2-169.2 35.9 116.3 53.7 309 43 B T > - 0 0 72 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.917 31.1-109.3-136.5 163.9 33.5 118.7 52.0 310 44 B L H > S+ 0 0 66 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.878 120.2 55.8 -63.6 -29.5 30.0 118.5 50.7 311 45 B G H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.903 106.3 48.7 -66.0 -41.2 31.4 118.8 47.3 312 46 B R H > S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 112.4 48.5 -68.2 -35.3 33.7 115.8 47.7 313 47 B I H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.926 112.2 49.4 -69.7 -42.1 30.8 113.8 49.0 314 48 B Q H X>S+ 0 0 62 -4,-2.5 4,-2.4 1,-0.2 5,-1.1 0.925 110.3 50.1 -61.1 -44.8 28.6 114.9 46.1 315 49 B K H <5S+ 0 0 179 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.865 111.6 49.0 -63.2 -35.8 31.3 114.0 43.6 316 50 B L H <5S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.928 117.2 39.6 -70.0 -43.5 31.7 110.5 45.2 317 51 B I H <5S- 0 0 4 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.769 99.4-137.9 -77.0 -25.2 28.0 109.8 45.2 318 52 B G T <5 + 0 0 61 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.811 69.1 102.0 71.4 27.7 27.5 111.4 41.7 319 53 B K S - 0 0 58 -2,-0.4 4,-1.8 -26,-0.1 5,-0.2 -0.266 36.0 -98.2 -81.5 174.8 18.8 122.2 58.7 326 60 B R H > S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.913 127.1 48.6 -65.9 -36.7 17.7 120.9 62.1 327 61 B E H >>S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 5,-1.4 0.915 105.1 58.4 -69.2 -35.4 14.3 122.6 61.7 328 62 B D H >5S+ 0 0 38 3,-0.2 4,-0.6 2,-0.1 7,-0.2 0.937 117.6 34.3 -54.3 -44.1 13.9 121.2 58.2 329 63 B V H X5S+ 0 0 2 -4,-1.8 4,-1.6 3,-0.2 5,-0.2 0.982 123.9 38.7 -74.9 -65.7 14.3 117.7 59.8 330 64 B E H <5S+ 0 0 80 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.896 131.3 28.2 -58.8 -40.3 12.6 118.1 63.2 331 65 B L H <5S+ 0 0 102 -4,-2.0 -3,-0.2 -5,-0.4 -1,-0.2 0.891 136.6 18.5 -86.3 -49.4 9.7 120.4 62.0 332 66 B N H >XS+ 0 0 0 -4,-1.6 4,-1.8 1,-0.3 5,-1.6 0.922 84.4 51.0 -54.5 -43.9 10.8 116.0 57.6 334 68 B E H 345S+ 0 0 81 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.668 114.2 44.2 -68.6 -15.6 7.4 114.7 56.4 335 69 B N H <45S+ 0 0 109 -3,-1.4 -1,-0.2 -7,-0.2 -2,-0.2 0.606 124.2 30.6-102.6 -16.5 6.9 117.7 54.1 336 70 B I H <5S+ 0 0 25 -4,-1.7 4,-0.4 -3,-0.4 -3,-0.2 0.820 131.4 20.0-106.6 -51.1 10.4 117.8 52.6 337 71 B V T X5S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.3 3,-0.4 0.924 117.2 53.1 -89.1 -54.4 11.8 114.2 52.5 338 72 B L H >> S+ 0 0 67 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.956 108.0 42.9 -54.1 -47.4 6.7 113.1 49.8 340 74 B L H >> S+ 0 0 54 -3,-0.4 4,-0.6 -4,-0.4 3,-0.6 0.787 106.4 62.8 -66.6 -29.0 9.4 112.2 47.3 341 75 B A H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 32,-0.2 0.653 90.2 69.8 -75.0 -8.4 10.0 108.9 49.0 342 76 B K H << S+ 0 0 101 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.885 118.2 17.5 -72.4 -36.1 6.4 107.9 48.1 343 77 B E H << S+ 0 0 163 -3,-0.6 2,-0.3 -4,-0.6 -2,-0.2 0.200 128.8 41.2-121.0 14.4 7.2 107.7 44.4 344 78 B N S < S- 0 0 40 -4,-0.6 -76,-1.2 -5,-0.1 2,-0.6 -0.960 83.4 -98.5-152.9 167.9 11.0 107.4 44.4 345 79 B D E -n 268 0H 56 -2,-0.3 -51,-2.2 -53,-0.2 -50,-1.4 -0.852 48.3-172.2 -92.2 121.9 14.0 105.9 46.2 346 80 B V E -np 269 295H 0 -78,-3.0 -76,-3.0 -2,-0.6 2,-0.4 -0.919 12.7-154.4-119.4 143.6 15.3 108.6 48.6 347 81 B A E -np 270 296H 0 -52,-2.4 -50,-3.4 -2,-0.4 2,-0.5 -0.924 3.2-163.7-118.4 142.4 18.4 108.7 50.7 348 82 B F E -np 271 297H 0 -78,-3.1 -76,-2.3 -2,-0.4 2,-0.3 -0.963 16.6-158.4-124.0 109.6 18.9 110.6 53.9 349 83 B L E +np 272 298H 0 -52,-2.9 -50,-1.7 -2,-0.5 -76,-0.2 -0.683 14.4 173.3 -93.4 142.3 22.6 110.9 54.8 350 84 B T E -n 273 0H 2 -78,-1.8 -76,-2.9 -2,-0.3 -75,-0.4 -0.989 37.3 -99.2-143.7 149.7 24.0 111.6 58.3 351 85 B P S S- 0 0 12 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.322 90.3 -3.8 -65.6 154.3 27.5 111.7 59.8 352 86 B G B S-R 275 0I 15 -77,-2.7 -77,-1.8 -79,-0.1 29,-0.2 -0.360 122.3 -16.6 68.4-140.6 28.5 108.6 61.7 353 87 B D S > S- 0 0 5 -80,-0.2 3,-1.4 -79,-0.1 4,-0.4 -0.877 77.1-110.5-103.8 129.9 25.9 105.7 62.1 354 88 B P T 3 S+ 0 0 1 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.287 99.4 23.1 -60.4 145.7 22.3 106.6 61.5 355 89 B L T 3 S+ 0 0 7 2,-0.1 -228,-0.3 -233,-0.1 6,-0.2 0.528 88.9 104.5 76.0 7.2 20.1 106.6 64.6 356 90 B V < + 0 0 26 -3,-1.4 -229,-0.4 -230,-0.1 -228,-0.3 0.889 63.7 82.6 -81.3 -36.5 22.9 107.2 67.1 357 91 B A S >> S- 0 0 28 -4,-0.4 3,-1.5 1,-0.1 4,-0.6 -0.450 94.0-125.1 -63.7 127.4 21.7 110.7 67.3 358 92 B T T 34 S+ 0 0 64 1,-0.3 3,-0.4 -2,-0.2 4,-0.3 0.808 102.0 45.4 -47.7 -45.2 18.9 110.6 69.8 359 93 B T T 34 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.614 93.5 77.4 -82.9 -11.8 16.2 112.2 67.6 360 94 B H T X> S+ 0 0 2 -3,-1.5 3,-1.5 1,-0.2 4,-0.5 0.828 80.9 64.7 -69.7 -31.6 16.7 110.3 64.4 361 95 B A H >X S+ 0 0 8 -4,-0.6 3,-2.2 -3,-0.4 4,-0.6 0.911 94.7 63.1 -56.1 -41.6 15.0 107.0 65.3 362 96 B E H >> S+ 0 0 50 -4,-0.3 4,-1.6 -3,-0.3 3,-0.7 0.748 89.1 69.0 -51.3 -31.5 11.7 108.9 65.5 363 97 B L H <> S+ 0 0 2 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.3 0.765 91.2 60.4 -64.2 -25.1 12.0 109.8 61.8 364 98 B R H S+ 0 0 0 -4,-1.9 5,-3.2 2,-0.2 4,-0.2 0.945 110.1 48.8 -60.4 -46.9 8.0 107.2 57.5 368 102 B K H ><5S+ 0 0 102 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.962 109.1 52.5 -56.3 -51.7 5.8 104.5 58.7 369 103 B R H 3<5S+ 0 0 168 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.836 110.0 49.4 -53.8 -35.7 2.9 107.0 59.4 370 104 B A T 3<5S- 0 0 36 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.374 120.2-110.3 -86.0 3.2 3.3 108.3 55.8 371 105 B G T < 5S+ 0 0 42 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.814 71.6 141.7 72.5 29.1 3.3 104.7 54.4 372 106 B V < - 0 0 7 -5,-3.2 -1,-0.2 -6,-0.2 2,-0.2 -0.906 50.0-131.0-111.1 125.5 7.0 104.8 53.4 373 107 B E E -o 268 0H 82 -106,-1.4 -104,-2.8 -2,-0.5 2,-0.4 -0.435 27.8-166.6 -55.1 132.9 9.3 101.9 53.8 374 108 B S E -o 269 0H 17 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.992 9.5-174.2-136.1 144.4 12.6 102.8 55.5 375 109 B Y E -o 270 0H 42 -106,-2.2 -104,-3.1 -2,-0.4 2,-0.5 -0.961 18.3-133.1-131.6 149.1 15.9 100.9 55.7 376 110 B V E -o 271 0H 7 -2,-0.3 2,-0.7 -164,-0.3 -104,-0.2 -0.900 9.8-164.7-111.6 122.9 19.0 101.7 57.7 377 111 B I E -o 272 0H 2 -106,-3.8 -104,-2.0 -2,-0.5 -94,-0.1 -0.915 22.5-145.6-100.8 113.1 22.5 101.5 56.3 378 112 B H + 0 0 5 -2,-0.7 -95,-0.3 -106,-0.2 -92,-0.2 -0.226 21.2 174.0 -77.9 164.6 25.0 101.5 59.1 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -264,-0.1 -266,-0.1 -0.965 44.9 -61.9-158.5 165.3 28.5 103.1 59.2 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.272 49.7-164.1 -58.2 141.0 31.2 103.6 61.8 381 115 B S >> - 0 0 4 -268,-0.2 4,-2.9 -29,-0.2 3,-1.3 -0.915 31.9-121.8-123.9 149.9 30.3 105.7 64.8 382 116 B I H 3> S+ 0 0 33 -2,-0.3 4,-1.5 1,-0.3 5,-0.1 0.810 111.3 71.7 -60.3 -26.3 32.6 107.4 67.3 383 117 B Y H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.876 113.7 23.7 -56.6 -38.7 30.6 105.3 69.9 384 118 B S H X4 S+ 0 0 0 -3,-1.3 3,-2.0 1,-0.1 -2,-0.2 0.776 112.4 69.1 -97.5 -31.5 32.4 102.2 68.6 385 119 B A H >< S+ 0 0 0 -4,-2.9 3,-2.9 1,-0.3 -3,-0.2 0.737 79.3 80.0 -60.3 -21.9 35.5 103.8 67.1 386 120 B V G ><> + 0 0 0 -4,-1.5 3,-2.8 1,-0.3 5,-0.6 0.636 68.1 87.7 -66.4 -5.8 36.8 104.6 70.6 387 121 B G G X 5S+ 0 0 1 -3,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.785 74.1 70.7 -51.9 -25.3 37.8 101.0 70.6 388 122 B I G < 5S+ 0 0 5 -3,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.632 81.0 71.5 -71.8 -13.1 41.0 102.4 69.0 389 123 B T G < 5S- 0 0 0 -3,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.564 111.6-119.0 -73.0 -4.4 41.9 104.0 72.5 390 124 B G T < 5S+ 0 0 5 -3,-1.5 2,-0.4 1,-0.3 125,-0.2 0.501 72.7 134.5 84.2 -2.7 42.6 100.5 73.6 391 125 B L < - 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