==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-MAY-12 4F3K . COMPND 2 MOLECULE: 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUC . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR A.M.HAAPALAINEN,K.THOMAS,J.B.BONANNO,S.C.ALMO,V.L.SCHRAMM . 462 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 0.9 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 . 13 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 0 0 0 0 0 2 4 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 0 2 0 4 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 . 0 4 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 2 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 0 121 0, 0.0 41,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.8 -28.5 -4.9 39.4 2 2 A K E -a 42 0A 62 65,-0.1 67,-3.1 39,-0.1 68,-0.8 -0.990 360.0-153.7-131.4 127.5 -26.4 -6.0 36.4 3 3 A I E -ab 43 70A 0 39,-2.1 41,-2.2 -2,-0.4 2,-0.3 -0.874 7.8-149.1-104.6 122.8 -23.2 -4.3 35.2 4 4 A G E -ab 44 71A 0 66,-2.9 68,-2.4 -2,-0.5 2,-0.4 -0.750 14.3-172.4 -88.7 139.7 -22.2 -4.6 31.6 5 5 A I E -ab 45 72A 2 39,-2.3 41,-3.2 -2,-0.3 2,-0.4 -0.999 1.5-167.4-135.0 129.8 -18.4 -4.5 30.9 6 6 A I E +ab 46 73A 0 66,-2.5 68,-2.2 -2,-0.4 2,-0.3 -0.976 10.1 170.3-126.8 128.6 -17.0 -4.3 27.4 7 7 A G E -a 47 0A 0 39,-2.8 41,-2.6 -2,-0.4 42,-0.3 -0.968 25.2-146.7-133.5 152.6 -13.4 -4.9 26.3 8 8 A A S S+ 0 0 3 66,-0.4 41,-1.6 -2,-0.3 2,-0.2 0.898 73.9 43.7 -84.8 -45.2 -11.9 -5.2 22.8 9 9 A M S >> S- 0 0 13 39,-0.1 4,-1.0 1,-0.1 3,-0.6 -0.685 76.0-119.0-110.6 157.1 -9.1 -7.7 23.2 10 10 A E H >> S+ 0 0 67 -2,-0.2 4,-2.2 1,-0.2 3,-1.2 0.937 116.2 54.8 -50.4 -50.8 -8.4 -11.0 24.9 11 11 A E H 34 S+ 0 0 92 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.799 106.4 51.7 -56.5 -30.9 -5.6 -9.3 27.0 12 12 A E H <4 S+ 0 0 0 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.667 120.6 30.7 -82.5 -16.7 -8.0 -6.6 28.2 13 13 A V H S+ 0 0 52 -4,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.919 115.4 44.1 -64.3 -46.1 -8.1 -11.0 34.2 16 16 A L H >4 S+ 0 0 3 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.884 111.3 54.4 -66.2 -39.0 -11.7 -10.0 34.8 17 17 A R H >< S+ 0 0 32 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.880 102.8 56.9 -60.9 -42.1 -13.0 -13.2 33.1 18 18 A D H 3< S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.710 104.6 54.2 -61.9 -23.3 -10.9 -15.4 35.5 19 19 A K T << S+ 0 0 83 -3,-0.8 20,-0.5 -4,-0.6 2,-0.4 0.428 80.8 111.1 -92.7 -0.1 -12.7 -13.7 38.4 20 20 A I X - 0 0 9 -3,-1.5 3,-0.5 -4,-0.2 2,-0.3 -0.651 59.0-144.3 -81.9 126.4 -16.3 -14.4 37.4 21 21 A D E 3 S+C 37 0A 85 16,-3.3 16,-2.2 -2,-0.4 3,-0.2 -0.690 82.1 13.1 -89.5 140.9 -18.1 -17.0 39.6 22 22 A N E 3 S- 0 0 130 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.950 92.5-160.3 59.3 49.9 -20.6 -19.4 38.0 23 23 A R E < - 0 0 106 -3,-0.5 2,-0.4 13,-0.1 13,-0.2 -0.525 16.2-177.5 -73.5 118.1 -19.2 -18.4 34.6 24 24 A Q E -C 35 0A 138 11,-2.4 11,-2.5 -2,-0.5 2,-0.4 -0.941 13.3-147.6-110.3 136.6 -21.4 -19.1 31.6 25 25 A T E -C 34 0A 73 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.866 11.6-172.0-107.6 136.5 -20.2 -18.4 28.1 26 26 A I E -C 33 0A 63 7,-2.4 7,-2.7 -2,-0.4 2,-0.5 -0.997 5.6-162.8-121.4 128.6 -22.3 -17.3 25.1 27 27 A T E +C 32 0A 95 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.953 26.4 141.7-107.5 127.7 -20.8 -17.0 21.6 28 28 A L E > +C 31 0A 31 3,-2.2 3,-1.7 -2,-0.5 388,-0.1 -0.907 61.3 5.0-162.0 139.0 -22.7 -15.0 18.9 29 29 A G T 3 S- 0 0 8 1,-0.3 387,-0.2 -2,-0.3 386,-0.1 0.801 127.8 -56.3 66.2 32.2 -21.9 -12.7 16.0 30 30 A G T 3 S+ 0 0 60 385,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.456 117.2 110.6 78.9 2.1 -18.1 -13.2 16.4 31 31 A C E < -C 28 0A 0 -3,-1.7 -3,-2.2 384,-0.1 2,-0.4 -0.832 57.9-143.7-114.0 146.6 -18.4 -12.1 20.1 32 32 A E E -CD 27 47A 62 15,-1.2 15,-2.8 -2,-0.3 2,-0.4 -0.926 12.6-168.3-105.3 133.1 -18.0 -13.8 23.5 33 33 A I E -CD 26 46A 0 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.5 -0.987 2.5-164.3-117.1 127.0 -20.1 -12.9 26.4 34 34 A Y E -CD 25 45A 4 11,-2.8 11,-2.9 -2,-0.4 2,-0.3 -0.947 11.1-172.8-113.7 125.0 -19.2 -14.2 29.9 35 35 A T E +CD 24 44A 29 -11,-2.5 -11,-2.4 -2,-0.5 2,-0.3 -0.873 30.2 84.1-122.9 155.3 -21.9 -13.9 32.6 36 36 A G E S- D 0 43A 2 7,-1.6 7,-2.8 -2,-0.3 2,-0.4 -0.985 74.5 -42.1 150.8-158.3 -21.9 -14.6 36.3 37 37 A Q E -CD 21 42A 51 -16,-2.2 -16,-3.3 -2,-0.3 2,-0.6 -0.914 31.5-160.4-114.3 136.2 -20.9 -12.8 39.5 38 38 A L E > S- D 0 41A 4 3,-3.1 3,-1.3 -2,-0.4 -18,-0.1 -0.935 88.7 -27.7-113.0 104.6 -17.9 -10.7 40.2 39 39 A N T 3 S- 0 0 85 -2,-0.6 -1,-0.2 -20,-0.5 3,-0.1 0.926 129.3 -46.5 48.1 49.1 -17.5 -10.6 44.0 40 40 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 190,-0.0 -1,-0.2 0.371 115.6 112.8 82.4 -4.1 -21.3 -11.1 44.3 41 41 A T E < S- D 0 38A 11 -3,-1.3 -3,-3.1 189,-0.1 2,-0.3 -0.856 72.3-116.5-102.1 138.2 -22.4 -8.6 41.7 42 42 A E E +aD 2 37A 63 -41,-0.7 -39,-2.1 -2,-0.4 2,-0.3 -0.572 43.3 176.9 -76.3 129.0 -24.0 -9.8 38.6 43 43 A V E -aD 3 36A 2 -7,-2.8 -7,-1.6 -2,-0.3 2,-0.4 -0.950 29.1-157.4-131.5 155.7 -22.0 -8.9 35.5 44 44 A A E -aD 4 35A 1 -41,-2.2 -39,-2.3 -2,-0.3 2,-0.5 -0.954 18.4-167.0-131.0 112.4 -22.0 -9.5 31.8 45 45 A L E -aD 5 34A 1 -11,-2.9 -11,-2.8 -2,-0.4 2,-0.5 -0.891 3.2-162.6-104.9 120.5 -18.5 -9.1 30.2 46 46 A L E -aD 6 33A 0 -41,-3.2 -39,-2.8 -2,-0.5 2,-0.7 -0.879 15.3-154.9-109.0 132.1 -18.2 -8.9 26.4 47 47 A K E +aD 7 32A 53 -15,-2.8 -15,-1.2 -2,-0.5 -39,-0.2 -0.926 24.0 175.5 -96.4 111.2 -15.1 -9.4 24.3 48 48 A S - 0 0 6 -41,-2.6 -40,-0.2 -2,-0.7 10,-0.2 0.766 29.1-124.9 -93.9 -31.4 -15.9 -7.3 21.2 49 49 A G - 0 0 29 -41,-1.6 2,-0.3 -42,-0.3 -1,-0.2 -0.374 47.3 -47.8 89.0 174.9 -13.0 -7.3 18.9 50 50 A I S S+ 0 0 16 294,-0.5 4,-0.3 -2,-0.1 3,-0.1 -0.649 89.0 17.1-100.2 136.5 -11.3 -4.1 17.6 51 51 A G S > S- 0 0 0 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.292 90.1 -59.8 103.4 175.5 -12.7 -0.9 16.1 52 52 A K H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.887 126.7 44.0 -65.4 -47.5 -16.0 1.0 15.8 53 53 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.924 114.1 49.4 -67.5 -44.0 -18.1 -1.6 14.0 54 54 A A H > S+ 0 0 5 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.918 113.6 47.8 -61.5 -41.9 -17.0 -4.5 16.2 55 55 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.871 112.7 48.0 -68.0 -35.1 -17.7 -2.5 19.3 56 56 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.914 112.1 48.2 -72.4 -44.9 -21.1 -1.4 18.1 57 57 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.964 115.2 47.6 -52.6 -53.6 -22.1 -4.9 17.1 58 58 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.903 111.5 48.3 -56.5 -48.7 -20.8 -6.1 20.5 59 59 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.845 110.0 52.3 -61.4 -40.0 -22.6 -3.4 22.5 60 60 A T H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.916 110.4 48.1 -64.4 -43.1 -25.9 -4.0 20.7 61 61 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 5,-0.4 0.891 111.6 49.7 -64.5 -43.2 -25.8 -7.7 21.5 62 62 A L H X>S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 5,-0.6 0.902 112.0 48.0 -60.3 -43.8 -25.0 -7.2 25.1 63 63 A L H X5S+ 0 0 10 -4,-2.0 4,-0.7 3,-0.2 -2,-0.2 0.893 116.2 43.9 -67.6 -37.9 -27.8 -4.7 25.5 64 64 A E H <5S+ 0 0 48 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.919 123.9 30.7 -74.4 -49.9 -30.3 -7.0 23.8 65 65 A H H <5S+ 0 0 87 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.961 132.3 27.4 -73.7 -52.4 -29.4 -10.3 25.5 66 66 A C H <5S- 0 0 8 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.562 80.7-150.9 -97.9 -12.8 -28.2 -9.3 28.9 67 67 A K << - 0 0 160 -4,-0.7 -4,-0.2 -5,-0.6 -65,-0.1 0.876 22.8-165.0 45.1 54.1 -30.1 -6.0 29.5 68 68 A P - 0 0 8 0, 0.0 -65,-0.2 0, 0.0 -1,-0.1 -0.321 22.9-135.1 -70.8 153.6 -27.4 -4.5 31.7 69 69 A D S S+ 0 0 88 -67,-3.1 2,-0.3 1,-0.2 -66,-0.2 0.749 85.9 7.0 -76.9 -27.3 -28.3 -1.5 33.8 70 70 A V E -b 3 0A 18 -68,-0.8 -66,-2.9 117,-0.1 2,-0.4 -0.956 69.0-133.1-147.4 160.1 -25.0 0.3 33.0 71 71 A I E -be 4 189A 0 117,-2.4 119,-1.6 -2,-0.3 2,-0.5 -0.993 12.1-169.1-123.3 128.6 -22.1 -0.2 30.6 72 72 A I E -be 5 190A 0 -68,-2.4 -66,-2.5 -2,-0.4 2,-0.6 -0.978 10.6-154.7-109.9 121.4 -18.4 0.2 31.6 73 73 A N E +be 6 191A 0 117,-2.6 119,-2.9 -2,-0.5 2,-0.2 -0.905 23.2 177.1 -96.6 123.3 -15.9 0.2 28.7 74 74 A T E + e 0 192A 0 -68,-2.2 -66,-0.4 -2,-0.6 2,-0.3 -0.680 21.7 78.2-122.5 171.0 -12.5 -0.9 29.8 75 75 A G E S- e 0 193A 0 117,-0.6 119,-2.3 -2,-0.2 2,-0.2 -0.951 72.7 -33.6 131.9-155.7 -9.0 -1.6 28.3 76 76 A S E - e 0 194A 0 -2,-0.3 2,-0.3 117,-0.2 119,-0.2 -0.462 48.5-176.6 -99.4 173.7 -6.0 0.4 27.1 77 77 A A E - e 0 195A 0 117,-1.1 119,-2.5 -2,-0.2 120,-0.9 -0.975 31.9-103.6-164.5 163.3 -5.7 3.8 25.5 78 78 A G E -Fe 171 197A 0 93,-2.8 93,-2.3 -2,-0.3 2,-0.3 -0.814 40.8-132.5 -93.1 120.3 -3.2 6.2 23.9 79 79 A G E +F 170 0A 2 118,-3.0 91,-0.3 -2,-0.5 90,-0.1 -0.597 34.7 164.3 -79.5 136.1 -2.5 9.1 26.3 80 80 A L + 0 0 10 89,-2.6 90,-0.2 -2,-0.3 -1,-0.2 0.658 48.6 94.8-114.5 -35.1 -2.6 12.6 25.1 81 81 A A S > S- 0 0 24 88,-2.0 3,-1.6 1,-0.1 88,-0.1 -0.376 79.5-124.4 -65.8 139.1 -2.8 14.7 28.3 82 82 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.780 104.3 54.5 -61.2 -28.1 0.7 15.8 29.5 83 83 A T T 3 S+ 0 0 81 2,-0.0 2,-0.3 57,-0.0 -1,-0.3 0.532 84.0 106.7 -85.5 -4.9 0.5 14.3 33.0 84 84 A L < + 0 0 11 -3,-1.6 2,-0.3 85,-0.1 56,-0.0 -0.559 43.0 179.6 -80.5 134.8 -0.3 10.7 31.9 85 85 A K > - 0 0 154 -2,-0.3 3,-2.5 54,-0.1 110,-0.3 -0.830 48.2 -67.6-120.0 164.5 2.3 8.0 32.0 86 86 A V T 3 S+ 0 0 49 -2,-0.3 110,-0.2 1,-0.3 3,-0.1 -0.289 124.5 24.0 -52.4 129.5 2.0 4.4 31.1 87 87 A G T 3 S+ 0 0 9 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.153 91.7 128.8 93.4 -16.0 -0.4 2.7 33.5 88 88 A D < - 0 0 30 -3,-2.5 107,-2.7 107,-0.1 2,-0.3 -0.267 58.5-109.5 -71.5 163.3 -2.3 5.9 34.5 89 89 A I E -gH 140 194A 0 50,-2.6 52,-2.3 105,-0.2 2,-0.4 -0.719 23.4-164.9-103.4 138.8 -6.1 6.0 34.4 90 90 A V E -gH 141 193A 0 103,-2.9 103,-2.5 -2,-0.3 2,-0.4 -0.987 3.9-167.7-119.7 133.0 -8.3 7.9 32.0 91 91 A V E -gH 142 192A 0 50,-2.0 52,-2.6 -2,-0.4 2,-0.4 -0.978 21.7-125.8-116.4 129.8 -12.0 8.5 32.7 92 92 A S E +g 143 0A 0 99,-1.7 52,-0.2 -2,-0.4 99,-0.2 -0.549 30.9 169.9 -70.8 126.7 -14.4 9.8 30.0 93 93 A D E S- 0 0 53 50,-2.3 28,-2.0 1,-0.5 2,-0.3 0.628 82.8 -4.6 -95.0 -18.2 -16.5 12.8 30.8 94 94 A E E -gI 144 120A 23 49,-0.9 51,-2.3 26,-0.3 -1,-0.5 -0.978 65.7-145.5-161.0 155.7 -17.4 12.8 27.1 95 95 A T E +gI 145 119A 2 24,-2.0 24,-2.9 -2,-0.3 2,-0.3 -0.974 16.1 177.3-131.7 146.2 -16.5 11.0 23.9 96 96 A R E -g 146 0A 48 49,-1.4 51,-2.5 -2,-0.3 2,-0.5 -0.985 34.3-111.7-141.9 148.9 -16.3 12.2 20.3 97 97 A Y E -g 147 0A 4 13,-0.7 3,-0.2 -2,-0.3 51,-0.2 -0.685 22.7-167.4 -75.0 125.1 -15.4 10.6 17.0 98 98 A H S S+ 0 0 15 49,-2.5 50,-0.2 -2,-0.5 -1,-0.1 0.621 85.4 47.7 -85.8 -13.3 -12.1 12.1 15.8 99 99 A D S S+ 0 0 26 48,-0.7 2,-0.4 11,-0.1 281,-0.2 0.292 83.0 108.1-111.5 6.3 -12.4 10.8 12.3 100 100 A A + 0 0 0 -3,-0.2 10,-2.3 10,-0.1 2,-0.3 -0.743 40.4 174.9 -91.7 132.8 -16.0 11.7 11.4 101 101 A D B +k 381 0B 49 279,-2.6 281,-2.6 -2,-0.4 8,-0.1 -0.809 28.6 137.1-146.4 98.1 -16.5 14.6 8.9 102 102 A V > > + 0 0 1 9,-0.4 3,-1.7 -2,-0.3 5,-1.2 -0.215 34.2 129.2-122.9 36.8 -19.8 15.8 7.5 103 103 A T G > 5 + 0 0 63 1,-0.3 3,-2.5 3,-0.2 -1,-0.1 0.779 57.4 76.9 -64.5 -26.2 -18.8 19.5 7.8 104 104 A A G 3 5S+ 0 0 36 1,-0.3 -1,-0.3 278,-0.2 -2,-0.0 0.731 98.7 45.5 -53.0 -26.1 -19.8 20.0 4.1 105 105 A F G < 5S- 0 0 43 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.081 129.5 -94.1-106.9 20.6 -23.4 20.0 5.5 106 106 A G T < 5S+ 0 0 71 -3,-2.5 -3,-0.2 1,-0.3 2,-0.1 0.514 77.6 138.4 85.8 5.8 -22.7 22.3 8.4 107 107 A Y < - 0 0 59 -5,-1.2 -1,-0.3 1,-0.1 3,-0.1 -0.489 60.4 -99.8 -80.7 157.0 -22.1 19.8 11.2 108 108 A E > - 0 0 102 -2,-0.1 3,-2.0 1,-0.1 -6,-0.3 -0.382 53.9 -84.8 -64.1 149.2 -19.3 20.3 13.7 109 109 A Y T 3 S+ 0 0 41 1,-0.3 -8,-0.2 -8,-0.1 -1,-0.1 -0.358 118.6 20.6 -57.8 132.8 -16.2 18.3 13.0 110 110 A G T 3 S+ 0 0 1 -10,-2.3 -13,-0.7 1,-0.3 2,-0.3 0.274 97.8 119.5 88.6 -10.3 -16.5 14.8 14.5 111 111 A Q < - 0 0 36 -3,-2.0 -9,-0.4 -11,-0.2 -1,-0.3 -0.702 51.2-150.6 -91.2 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241 10 B E H >> S+ 0 0 75 -2,-0.3 4,-2.1 1,-0.2 3,-0.7 0.926 116.6 53.7 -48.7 -49.6 -35.6 8.8 5.1 242 11 B E H 34 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.796 107.7 51.7 -60.7 -28.9 -35.2 9.7 1.4 243 12 B E H <4 S+ 0 0 0 -3,-0.7 -1,-0.2 1,-0.1 4,-0.2 0.750 119.4 31.3 -82.7 -23.0 -33.5 6.3 0.7 244 13 B V H S+ 0 0 64 -4,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.915 115.7 43.9 -68.6 -44.1 -40.3 4.7 -1.7 247 16 B L H >4 S+ 0 0 2 -4,-0.2 3,-0.8 1,-0.2 4,-0.5 0.876 109.2 57.4 -64.8 -41.1 -39.7 1.0 -0.6 248 17 B R H >< S+ 0 0 29 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.918 103.3 54.8 -55.7 -43.6 -41.6 1.6 2.6 249 18 B D H 3< S+ 0 0 106 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.714 103.8 54.5 -64.5 -27.0 -44.6 2.7 0.6 250 19 B K T << S+ 0 0 89 -3,-0.8 2,-0.5 -4,-0.7 20,-0.5 0.471 82.0 109.4 -84.2 -5.3 -44.7 -0.5 -1.4 251 20 B I X - 0 0 8 -3,-1.5 3,-0.6 -4,-0.5 2,-0.3 -0.625 61.4-145.4 -77.9 121.3 -44.7 -2.8 1.6 252 21 B D E 3 S+O 268 0D 87 16,-3.3 16,-2.2 -2,-0.5 3,-0.1 -0.663 79.1 8.6 -84.9 144.0 -48.1 -4.5 2.1 253 22 B N E 3 S- 0 0 132 -2,-0.3 -1,-0.2 14,-0.2 2,-0.1 0.878 93.9-169.2 56.2 40.6 -49.5 -5.2 5.5 254 23 B R E < - 0 0 101 -3,-0.6 2,-0.4 13,-0.1 13,-0.2 -0.366 15.9-174.3 -67.0 135.2 -46.7 -3.1 6.9 255 24 B Q E -O 266 0D 138 11,-2.2 11,-2.5 -3,-0.1 2,-0.4 -0.970 12.2-144.4-124.1 150.4 -45.9 -3.0 10.6 256 25 B T E -O 265 0D 76 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.929 13.5-176.4-114.8 135.8 -43.3 -0.7 12.2 257 26 B I E -O 264 0D 78 7,-2.4 7,-2.8 -2,-0.4 2,-0.4 -0.973 10.1-157.8-118.5 142.4 -41.1 -1.4 15.2 258 27 B T E +O 263 0D 87 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.983 25.0 150.8-115.4 129.0 -38.7 1.2 16.7 259 28 B L E > +O 262 0D 34 3,-2.5 3,-2.4 -2,-0.4 -74,-0.1 -0.953 63.7 2.3-155.3 144.4 -35.7 0.2 18.7 260 29 B G T 3 S- 0 0 8 -2,-0.3 -75,-0.2 1,-0.3 -76,-0.1 0.771 128.6 -59.1 54.7 30.9 -32.2 1.6 19.4 261 30 B G T 3 S+ 0 0 57 1,-0.3 2,-0.3 -77,-0.2 -1,-0.3 0.553 115.9 113.4 75.6 8.1 -33.2 4.6 17.3 262 31 B C E < -O 259 0D 1 -3,-2.4 -3,-2.5 -78,-0.1 2,-0.5 -0.867 57.3-143.6-110.5 146.2 -33.8 2.5 14.2 263 32 B E E -OP 258 278D 64 15,-1.4 15,-2.4 -2,-0.3 2,-0.4 -0.935 11.7-165.1-108.9 130.8 -37.2 1.8 12.5 264 33 B I E -OP 257 277D 0 -7,-2.8 -7,-2.4 -2,-0.5 2,-0.5 -0.989 0.9-164.2-113.9 128.3 -37.9 -1.6 11.0 265 34 B Y E -OP 256 276D 3 11,-2.8 11,-3.2 -2,-0.4 2,-0.3 -0.958 11.2-173.3-111.8 120.7 -40.8 -2.0 8.6 266 35 B T E +OP 255 275D 31 -11,-2.5 -11,-2.2 -2,-0.5 2,-0.3 -0.837 30.1 90.9-116.2 155.6 -42.0 -5.6 8.0 267 36 B G E S- P 0 274D 3 7,-1.5 7,-2.5 -2,-0.3 2,-0.4 -0.982 73.0 -50.6 154.2-161.4 -44.5 -6.9 5.5 268 37 B Q E -OP 252 273D 55 -16,-2.2 -16,-3.3 -2,-0.3 2,-0.6 -0.938 31.1-158.7-116.2 135.8 -44.6 -8.2 1.9 269 38 B L E > S- P 0 272D 2 3,-2.9 3,-1.9 -2,-0.4 -18,-0.1 -0.952 86.1 -28.3-109.9 106.5 -43.1 -6.6 -1.1 270 39 B N T 3 S- 0 0 87 -2,-0.6 -1,-0.1 -20,-0.5 3,-0.1 0.872 129.8 -45.1 53.2 41.1 -44.9 -8.0 -4.2 271 40 B G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -19,-0.0 -1,-0.3 0.045 116.3 110.9 94.8 -24.1 -45.5 -11.2 -2.2 272 41 B T E < S- P 0 269D 14 -3,-1.9 -3,-2.9 1,-0.1 2,-0.3 -0.705 72.5-116.4 -92.0 134.1 -42.0 -11.7 -0.7 273 42 B E E +mP 233 268D 72 -41,-0.7 -39,-2.4 -2,-0.4 2,-0.3 -0.491 43.9 174.4 -66.5 123.5 -41.5 -11.2 3.0 274 43 B V E -mP 234 267D 2 -7,-2.5 -7,-1.5 -2,-0.3 2,-0.4 -0.887 27.6-158.0-127.5 160.3 -39.2 -8.3 3.7 275 44 B A E -mP 235 266D 1 -41,-2.0 -39,-2.6 -2,-0.3 2,-0.5 -0.951 17.0-164.2-136.7 119.6 -37.8 -6.4 6.6 276 45 B L E -mP 236 265D 2 -11,-3.2 -11,-2.8 -2,-0.4 2,-0.4 -0.929 2.8-162.3-115.5 122.1 -36.6 -2.9 5.8 277 46 B L E -mP 237 264D 0 -41,-3.1 -39,-2.6 -2,-0.5 2,-0.7 -0.867 14.1-156.4-109.2 134.8 -34.5 -1.0 8.3 278 47 B K E +mP 238 263D 53 -15,-2.4 -15,-1.4 -2,-0.4 -39,-0.2 -0.949 22.6 173.6-104.1 108.6 -33.8 2.8 8.4 279 48 B S - 0 0 8 -41,-2.3 -40,-0.2 -2,-0.7 -1,-0.1 0.720 30.9-125.2 -90.6 -28.7 -30.5 2.9 10.2 280 49 B G - 0 0 28 -41,-1.2 2,-0.3 -42,-0.3 -1,-0.2 -0.358 47.2 -45.5 85.3 178.1 -29.3 6.5 10.2 281 50 B I S S+ 0 0 14 -168,-0.4 4,-0.3 -2,-0.1 3,-0.1 -0.629 87.6 18.0-103.0 139.4 -25.9 7.6 8.9 282 51 B G S > S- 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.262 90.4 -58.4 102.9 176.8 -22.4 6.4 9.3 283 52 B K H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 127.6 42.1 -65.4 -46.9 -20.6 3.2 10.4 284 53 B V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.895 113.1 52.2 -71.0 -43.5 -21.9 2.8 13.9 285 54 B A H > S+ 0 0 7 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.945 113.2 47.0 -57.8 -44.9 -25.5 3.7 13.1 286 55 B A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.892 111.7 48.7 -61.2 -45.3 -25.3 1.0 10.3 287 56 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.892 112.5 48.2 -65.1 -42.5 -23.7 -1.7 12.4 288 57 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.941 114.4 46.9 -59.3 -48.3 -26.2 -1.2 15.2 289 58 B G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.923 112.6 48.9 -61.5 -45.7 -29.1 -1.3 12.7 290 59 B A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.891 110.1 51.1 -62.3 -42.7 -27.7 -4.4 10.9 291 60 B T H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.914 111.4 48.4 -62.3 -44.8 -27.2 -6.3 14.3 292 61 B L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.5 0.907 110.9 50.0 -60.4 -42.0 -30.8 -5.5 15.3 293 62 B L H X>S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.6 0.918 113.6 45.4 -66.0 -43.4 -32.2 -6.7 11.9 294 63 B L H X5S+ 0 0 9 -4,-2.4 4,-1.3 3,-0.2 -2,-0.2 0.954 117.6 43.4 -63.4 -52.1 -30.3 -9.9 12.0 295 64 B E H <5S+ 0 0 52 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.859 125.5 29.7 -63.3 -43.6 -31.2 -10.7 15.7 296 65 B H H <5S+ 0 0 86 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.858 132.2 27.4 -89.3 -38.5 -34.9 -9.7 15.5 297 66 B C H <5S- 0 0 8 -4,-2.0 -3,-0.2 -5,-0.5 -2,-0.2 0.565 81.6-152.1-106.2 -9.6 -36.0 -10.4 12.0 298 67 B K << - 0 0 141 -4,-1.3 -4,-0.2 -5,-0.6 -65,-0.1 0.868 21.6-169.8 37.4 62.5 -33.5 -13.2 11.0 299 68 B P - 0 0 9 0, 0.0 -65,-0.2 0, 0.0 -1,-0.1 -0.409 27.5-133.2 -77.2 157.3 -33.5 -12.5 7.2 300 69 B D S S+ 0 0 90 -67,-3.0 2,-0.3 1,-0.2 -66,-0.2 0.804 87.3 7.5 -78.6 -32.8 -31.8 -14.9 4.8 301 70 B V E -n 234 0D 15 -68,-1.0 -66,-3.0 117,-0.1 2,-0.4 -0.965 67.1-137.5-142.6 160.3 -30.0 -12.2 3.0 302 71 B I E -nq 235 420D 0 117,-2.6 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