==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-AUG-12 4GMH . COMPND 2 MOLECULE: 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUC . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR R.L.BROWN,B.F.ANDERSON,G.E.NORRIS,P.C.TYLER,G.B.EVANS,A.J.SU . 230 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 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 . 2 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 . 1 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 . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 1 0 1 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 . 0 2 1 0 0 1 1 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 1 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 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 G 0 0 60 0, 0.0 3,-0.1 0, 0.0 229,-0.0 0.000 360.0 360.0 360.0 -89.8 24.5 3.9 -22.6 2 0 A S + 0 0 87 1,-0.1 2,-0.3 40,-0.1 41,-0.3 0.590 360.0 30.0 -91.4 -10.8 27.0 1.7 -20.7 3 1 A M - 0 0 31 39,-0.1 67,-1.5 2,-0.0 68,-0.9 -0.978 65.1-162.1-145.9 121.4 25.2 -0.3 -17.9 4 2 A I E -ab 44 71A 0 39,-1.8 41,-1.8 -2,-0.3 2,-0.3 -0.943 4.2-155.1-116.2 118.7 21.5 -1.4 -18.2 5 3 A G E -ab 45 72A 0 66,-2.3 68,-2.1 -2,-0.5 2,-0.4 -0.720 10.2-170.7 -84.1 134.0 19.4 -2.5 -15.1 6 4 A I E -ab 46 73A 0 39,-2.3 41,-2.8 -2,-0.3 2,-0.4 -0.991 4.3-171.8-126.6 123.8 16.3 -5.0 -15.8 7 5 A I E +ab 47 74A 0 66,-2.3 68,-1.9 -2,-0.4 2,-0.3 -0.962 11.7 162.8-126.1 125.1 13.7 -5.8 -13.0 8 6 A G E -a 48 0A 0 39,-2.3 41,-2.0 -2,-0.4 42,-0.3 -0.968 31.1-136.8-135.8 151.7 10.8 -8.4 -12.9 9 7 A A S S+ 0 0 6 66,-0.4 41,-1.9 -2,-0.3 2,-0.2 0.916 77.8 37.7 -73.4 -47.1 8.7 -9.8 -9.9 10 8 A M S >> S- 0 0 51 39,-0.1 3,-1.3 40,-0.1 4,-1.0 -0.662 79.9-112.0-113.4 152.3 8.3 -13.7 -10.5 11 9 A E H >> S+ 0 0 125 1,-0.3 4,-1.6 -2,-0.2 3,-0.8 0.903 116.5 57.4 -51.3 -42.2 10.6 -16.5 -11.9 12 10 A E H 34 S+ 0 0 100 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.753 105.2 52.7 -57.5 -26.5 8.3 -16.9 -15.1 13 11 A E H <4 S+ 0 0 7 -3,-1.3 -1,-0.2 1,-0.1 4,-0.2 0.711 117.6 32.7 -90.3 -22.2 8.9 -13.2 -15.9 14 12 A V H S+ 0 0 52 -4,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.947 113.6 42.4 -60.9 -49.5 13.5 -16.0 -20.9 17 15 A L H 4 S+ 0 0 1 -4,-0.2 3,-0.5 1,-0.2 4,-0.3 0.847 111.1 55.4 -67.5 -36.8 16.0 -13.1 -20.7 18 16 A K H >< S+ 0 0 39 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.882 104.8 53.9 -62.8 -43.9 18.4 -14.9 -18.3 19 17 A N H 3< S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.640 101.9 59.5 -64.1 -17.6 18.7 -17.9 -20.8 20 18 A K T 3< S+ 0 0 89 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.509 84.7 105.2 -86.1 -5.3 19.7 -15.5 -23.6 21 19 A L < - 0 0 19 -3,-1.1 2,-0.4 -4,-0.3 3,-0.3 -0.462 61.3-144.0 -75.3 145.6 22.8 -14.2 -21.7 22 20 A T E S+C 38 0A 90 16,-1.7 16,-1.7 1,-0.2 -2,-0.1 -0.905 84.7 12.9-104.5 139.1 26.4 -15.3 -22.6 23 21 A Q E S- 0 0 175 -2,-0.4 -1,-0.2 14,-0.2 13,-0.0 0.931 88.0-165.2 61.5 56.4 28.8 -15.8 -19.6 24 22 A L E - 0 0 85 -3,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.218 10.9-179.1 -72.2 155.9 26.1 -15.7 -16.9 25 23 A S E -C 36 0A 63 11,-0.7 11,-2.4 2,-0.0 2,-0.3 -0.947 12.2-142.4-164.7 143.2 27.0 -15.2 -13.2 26 24 A E E +C 35 0A 122 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.880 14.1 179.9-131.8 142.8 24.9 -15.1 -10.0 27 25 A I E -C 34 0A 56 7,-1.9 7,-2.5 -2,-0.3 2,-0.4 -0.996 11.7-151.6-148.7 137.6 24.9 -13.2 -6.7 28 26 A S E +C 33 0A 89 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.940 16.8 167.1-121.8 132.0 22.7 -13.2 -3.6 29 27 A V E > -C 32 0A 48 3,-2.0 3,-2.3 -2,-0.4 2,-0.1 -0.960 68.5 -43.7-146.0 125.7 21.7 -10.5 -1.0 30 28 A A T 3 S- 0 0 93 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.367 122.4 -29.4 49.1-123.0 18.8 -10.9 1.6 31 29 A H T 3 S+ 0 0 85 18,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.479 115.5 107.6 -93.0 -4.1 15.9 -12.4 -0.6 32 30 A V E < -C 29 0A 0 -3,-2.3 -3,-2.0 15,-0.0 2,-0.4 -0.600 53.9-154.9 -88.9 136.7 17.0 -10.8 -3.9 33 31 A K E -CD 28 48A 72 15,-1.0 15,-2.3 -2,-0.3 2,-0.4 -0.951 10.4-170.4-107.8 126.6 18.7 -12.7 -6.9 34 32 A F E -CD 27 47A 0 -7,-2.5 -7,-1.9 -2,-0.4 2,-0.5 -0.980 5.3-164.2-115.7 132.4 21.0 -10.8 -9.4 35 33 A Y E -CD 26 46A 15 11,-2.4 11,-2.3 -2,-0.4 2,-0.3 -0.931 6.7-162.6-119.2 109.3 22.3 -12.2 -12.8 36 34 A T E +CD 25 45A 37 -11,-2.4 -11,-0.7 -2,-0.5 2,-0.2 -0.716 33.6 106.1 -93.5 138.4 25.3 -10.4 -14.5 37 35 A G E - D 0 44A 13 7,-1.5 7,-2.0 -2,-0.3 2,-0.4 -0.957 62.2 -68.2-178.2-168.0 26.2 -11.0 -18.3 38 36 A I E -CD 22 43A 64 -16,-1.7 -16,-1.7 -2,-0.2 2,-0.4 -0.949 35.6-177.9-114.4 131.5 26.2 -9.8 -22.0 39 37 A L E > S- D 0 42A 4 3,-2.3 3,-2.1 -2,-0.4 -18,-0.1 -0.985 72.7 -22.2-131.1 124.3 23.0 -9.3 -24.0 40 38 A K T 3 S- 0 0 111 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.878 127.9 -52.3 44.1 42.5 23.0 -8.2 -27.8 41 39 A D T 3 S+ 0 0 150 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.446 117.9 100.8 76.4 0.9 26.5 -6.8 -27.1 42 40 A R E < S- D 0 39A 70 -3,-2.1 -3,-2.3 -38,-0.0 2,-0.4 -0.831 74.2-111.4-114.0 152.2 25.7 -4.5 -24.0 43 41 A E E + D 0 38A 110 -41,-0.3 -39,-1.8 -2,-0.3 2,-0.3 -0.751 42.8 176.7 -83.4 134.4 26.4 -5.3 -20.3 44 42 A V E -aD 4 37A 3 -7,-2.0 -7,-1.5 -2,-0.4 2,-0.4 -0.860 28.8-147.3-130.4 162.8 23.3 -5.9 -18.2 45 43 A V E -aD 5 36A 3 -41,-1.8 -39,-2.3 -2,-0.3 2,-0.4 -0.958 19.1-155.3-128.5 112.6 22.2 -6.8 -14.5 46 44 A I E -aD 6 35A 0 -11,-2.3 -11,-2.4 -2,-0.4 2,-0.4 -0.772 11.8-162.2 -93.2 130.1 18.9 -8.9 -14.3 47 45 A T E -aD 7 34A 0 -41,-2.8 -39,-2.3 -2,-0.4 2,-0.7 -0.963 16.4-159.1-121.7 124.2 17.0 -8.6 -10.9 48 46 A Q E +aD 8 33A 33 -15,-2.3 -15,-1.0 -2,-0.4 -39,-0.2 -0.875 20.0 176.2 -96.5 105.3 14.2 -10.9 -9.5 49 47 A S - 0 0 1 -41,-2.0 -40,-0.2 -2,-0.7 10,-0.2 0.705 28.6-124.8 -84.5 -25.8 12.4 -8.7 -6.8 50 48 A G - 0 0 22 -41,-1.9 2,-0.2 -42,-0.3 -1,-0.2 -0.294 46.3 -52.2 84.9 170.2 9.4 -10.6 -5.3 51 49 A I S S+ 0 0 89 -2,-0.1 4,-0.4 4,-0.1 3,-0.1 -0.602 89.3 14.9 -93.9 142.3 5.7 -9.3 -5.2 52 50 A G S > S- 0 0 6 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.098 91.0 -59.0 87.8 172.7 4.3 -5.8 -4.0 53 51 A K H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.828 124.7 45.8 -68.3 -41.9 5.6 -2.3 -3.1 54 52 A V H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 113.7 49.0 -69.8 -46.5 8.1 -3.0 -0.2 55 53 A N H > S+ 0 0 61 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.910 113.2 48.2 -59.7 -41.1 9.8 -6.0 -2.0 56 54 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.908 111.4 50.1 -67.7 -39.7 10.2 -3.8 -5.2 57 55 A A H X S+ 0 0 31 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.912 110.3 48.7 -68.0 -44.5 11.6 -0.8 -3.2 58 56 A I H X S+ 0 0 76 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.939 114.2 47.2 -51.6 -51.0 14.3 -2.9 -1.3 59 57 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.858 113.2 47.9 -60.1 -43.0 15.5 -4.6 -4.7 60 58 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.867 108.4 53.5 -64.6 -42.3 15.7 -1.1 -6.5 61 59 A T H X S+ 0 0 59 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.925 113.3 43.6 -59.7 -47.5 17.7 0.6 -3.6 62 60 A L H X S+ 0 0 45 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.878 110.7 55.7 -64.6 -43.9 20.4 -2.3 -3.7 63 61 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 5,-0.4 0.942 111.2 43.6 -50.8 -55.7 20.5 -2.3 -7.6 64 62 A I H X S+ 0 0 16 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.938 117.8 42.7 -60.1 -53.2 21.3 1.5 -7.8 65 63 A N H < S+ 0 0 82 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.849 121.6 37.2 -67.5 -38.1 23.9 1.5 -5.0 66 64 A K H < S+ 0 0 102 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.830 128.8 26.8 -80.3 -36.5 25.8 -1.7 -5.9 67 65 A F H < S- 0 0 46 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.551 83.3-142.6-111.8 -10.0 25.8 -1.6 -9.8 68 66 A K < - 0 0 147 -4,-1.5 -4,-0.1 -5,-0.4 -3,-0.1 0.910 27.3-163.6 44.7 58.0 25.5 2.2 -10.7 69 67 A P - 0 0 13 0, 0.0 -65,-0.2 0, 0.0 -1,-0.1 -0.423 23.9-145.5 -71.1 150.1 23.2 1.7 -13.8 70 68 A D S S+ 0 0 78 -67,-1.5 2,-0.3 1,-0.2 -66,-0.1 0.823 85.7 5.2 -77.7 -36.1 22.7 4.5 -16.4 71 69 A V E -b 4 0A 20 -68,-0.9 -66,-2.3 117,-0.1 2,-0.3 -0.958 66.3-141.2-140.9 163.4 18.9 3.5 -17.0 72 70 A I E -be 5 190A 1 117,-1.6 119,-1.7 -2,-0.3 2,-0.4 -0.984 11.7-165.9-129.6 125.2 16.3 1.0 -15.4 73 71 A I E -be 6 191A 0 -68,-2.1 -66,-2.3 -2,-0.3 2,-0.5 -0.973 9.1-150.4-111.4 122.8 13.6 -1.0 -17.4 74 72 A N E -be 7 192A 6 117,-2.2 119,-2.5 -2,-0.4 2,-0.2 -0.870 21.0-177.4 -97.1 123.4 10.6 -2.8 -15.6 75 73 A T + 0 0 1 -68,-1.9 -66,-0.4 -2,-0.5 2,-0.3 -0.622 27.1 68.0-117.2 169.0 9.3 -6.1 -17.5 76 74 A G S S- 0 0 2 117,-0.4 119,-1.4 139,-0.2 2,-0.2 -0.861 71.2 -34.9 124.8-159.6 6.3 -8.6 -16.8 77 75 A S E +f 195 0B 11 -2,-0.3 2,-0.3 117,-0.2 119,-0.2 -0.560 42.9 170.7-109.1 163.1 2.5 -8.9 -16.9 78 76 A A E -f 196 0B 6 117,-1.2 119,-2.5 -2,-0.2 120,-0.8 -0.982 33.0 -98.4-163.3 169.5 -0.6 -6.7 -16.0 79 77 A G E -fG 198 172B 4 93,-2.4 93,-2.1 -2,-0.3 2,-0.3 -0.751 36.0-122.9-101.4 136.9 -4.5 -6.3 -16.1 80 78 A A E + G 0 171B 1 118,-2.0 91,-0.3 -2,-0.3 90,-0.1 -0.665 29.2 172.4 -83.0 130.3 -6.3 -4.2 -18.9 81 79 A L + 0 0 1 89,-2.3 2,-0.4 -2,-0.3 90,-0.2 0.636 61.7 83.9 -98.1 -27.2 -8.7 -1.3 -17.8 82 80 A D S > S- 0 0 42 88,-1.6 3,-1.5 1,-0.1 88,-0.1 -0.649 75.4-140.6 -80.1 126.9 -9.2 0.1 -21.5 83 81 A E T 3 S+ 0 0 172 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.620 96.0 63.9 -63.3 -15.2 -12.0 -1.7 -23.4 84 82 A S T 3 S+ 0 0 71 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.607 84.1 96.2 -87.3 -6.7 -10.0 -1.7 -26.7 85 83 A L < - 0 0 13 -3,-1.5 2,-0.3 85,-0.1 -5,-0.1 -0.545 53.5-164.2 -86.2 145.5 -7.1 -3.9 -25.4 86 84 A N > - 0 0 110 -2,-0.2 3,-1.7 1,-0.1 110,-0.3 -0.852 39.0 -75.7-121.2 159.7 -6.8 -7.8 -25.9 87 85 A V T 3 S+ 0 0 40 -2,-0.3 110,-0.2 1,-0.2 -1,-0.1 -0.207 118.0 27.5 -49.8 136.6 -4.6 -10.6 -24.2 88 86 A G T 3 S+ 0 0 9 108,-2.1 -1,-0.2 1,-0.3 109,-0.1 0.129 84.1 135.3 91.6 -22.4 -0.9 -10.3 -25.5 89 87 A D < - 0 0 21 -3,-1.7 107,-2.0 106,-0.1 -1,-0.3 -0.316 57.9-113.6 -62.8 140.2 -0.9 -6.6 -26.4 90 88 A V E -hI 141 195B 0 50,-2.2 52,-1.6 105,-0.2 2,-0.5 -0.544 24.1-152.4 -75.7 135.1 2.3 -4.5 -25.3 91 89 A L E -hI 142 194B 0 103,-2.3 103,-2.1 -2,-0.2 2,-0.5 -0.949 9.7-172.6-113.3 117.6 1.9 -1.7 -22.5 92 90 A I E -hI 143 193B 2 50,-2.4 52,-1.9 -2,-0.5 101,-0.2 -0.945 22.7-128.7-109.3 122.3 4.4 1.4 -22.5 93 91 A S E +h 144 0B 0 99,-1.6 52,-0.2 -2,-0.5 3,-0.1 -0.464 30.5 170.4 -69.2 143.6 4.2 3.8 -19.5 94 92 A D E S- 0 0 64 50,-1.9 28,-2.8 1,-0.6 2,-0.3 0.597 77.9 -6.7-103.2 -79.8 3.9 7.7 -19.8 95 93 A D E - J 0 121B 48 26,-0.2 51,-1.5 24,-0.0 -1,-0.6 -0.793 68.8-153.5-110.5 164.7 3.1 8.6 -16.2 96 94 A V E +hJ 146 120B 0 24,-1.7 24,-1.9 -2,-0.3 2,-0.3 -0.959 16.5 167.0-135.2 143.1 2.5 6.3 -13.1 97 95 A K E -h 147 0B 44 49,-1.5 51,-1.5 -2,-0.3 2,-0.2 -0.995 36.9 -96.5-152.2 158.2 0.5 6.8 -9.8 98 96 A Y E -h 148 0B 14 13,-0.8 51,-0.2 -2,-0.3 3,-0.2 -0.583 17.7-167.3 -74.0 134.4 -1.0 4.9 -6.7 99 97 A H S S+ 0 0 12 49,-2.0 50,-0.2 -2,-0.2 -1,-0.1 0.519 88.2 49.7 -87.0 -11.5 -4.8 3.8 -6.8 100 98 A D S S+ 0 0 63 48,-0.7 2,-0.5 11,-0.1 -1,-0.1 0.138 78.6 105.3-117.5 18.5 -4.7 3.0 -3.0 101 99 A A + 0 0 10 -3,-0.2 10,-2.2 12,-0.0 2,-0.3 -0.924 40.8 177.2 -98.7 121.0 -3.1 6.1 -1.2 102 100 A D + 0 0 104 -2,-0.5 3,-0.1 8,-0.2 8,-0.1 -0.804 26.6 138.2-128.9 88.3 -5.6 8.3 0.8 103 101 A A > > + 0 0 20 9,-0.4 5,-1.2 6,-0.3 3,-1.2 -0.173 33.4 125.4-106.1 33.4 -4.3 11.4 2.9 104 102 A T G > 5 + 0 0 63 1,-0.2 3,-2.9 3,-0.2 -1,-0.1 0.765 55.4 77.6 -65.0 -23.9 -7.3 13.7 1.7 105 103 A A G 3 5S+ 0 0 99 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.835 99.7 46.2 -51.4 -30.7 -8.2 14.5 5.4 106 104 A F G < 5S- 0 0 171 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.202 128.3-100.1 -92.7 14.3 -5.2 16.9 5.1 107 105 A G T < 5S+ 0 0 68 -3,-2.9 -3,-0.2 1,-0.2 -2,-0.1 0.510 75.7 137.5 79.5 3.8 -6.2 18.4 1.7 108 106 A Y < - 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0 0 70 -2,-0.3 3,-0.1 -120,-0.2 -120,-0.1 0.079 50.2-117.4-103.8 20.7 -9.0 -8.1 -18.1 200 198 A A S S+ 0 0 1 1,-0.1 -45,-0.4 4,-0.1 -41,-0.2 0.803 78.3 101.9 53.7 43.4 -9.2 -7.4 -14.3 201 199 A N S > S- 0 0 31 -47,-0.2 3,-2.1 -43,-0.1 4,-0.3 -0.455 94.9 -55.4-135.7-162.0 -12.8 -8.7 -13.8 202 200 A G T 3 S+ 0 0 53 1,-0.3 3,-0.2 -2,-0.1 -2,-0.1 0.671 134.9 51.7 -64.6 -14.4 -14.6 -11.9 -12.5 203 201 A E T 3> S+ 0 0 121 1,-0.1 4,-2.4 2,-0.1 -1,-0.3 0.302 78.9 106.8 -93.7 5.4 -12.6 -14.0 -14.9 204 202 A A H <> S+ 0 0 1 -3,-2.1 4,-2.1 1,-0.2 5,-0.1 0.849 75.5 48.9 -61.4 -42.5 -9.1 -12.6 -13.9 205 203 A E H > S+ 0 0 136 -4,-0.3 4,-1.8 -51,-0.2 -1,-0.2 0.914 114.5 44.8 -64.0 -43.6 -7.7 -15.6 -11.9 206 204 A M H > S+ 0 0 146 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.913 113.9 50.2 -67.7 -42.6 -8.6 -18.2 -14.7 207 205 A S H X S+ 0 0 23 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.928 108.4 53.5 -54.6 -48.1 -7.2 -15.9 -17.5 208 206 A F H X S+ 0 0 40 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.900 107.3 50.3 -59.0 -48.0 -3.9 -15.3 -15.5 209 207 A E H < S+ 0 0 140 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.863 117.9 40.9 -58.9 -36.1 -3.2 -19.2 -15.2 210 208 A A H < S+ 0 0 69 -4,-1.5 4,-0.2 -5,-0.1 -2,-0.2 0.828 125.3 30.3 -77.7 -34.9 -3.8 -19.6 -18.9 211 209 A F H X S+ 0 0 86 -4,-2.6 4,-2.0 -14,-0.3 5,-0.2 0.368 81.1 101.1-117.7 4.1 -2.0 -16.6 -20.3 212 210 A L H X S+ 0 0 20 -4,-1.5 4,-2.1 1,-0.2 -1,-0.1 0.947 89.7 49.0 -54.8 -46.4 1.0 -15.7 -17.9 213 211 A E H > S+ 0 0 74 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 108.2 53.2 -59.1 -43.4 3.5 -17.4 -20.3 214 212 A K H > S+ 0 0 107 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 108.5 48.9 -60.5 -46.9 2.1 -15.6 -23.4 215 213 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.3 0.900 109.0 53.4 -62.3 -42.4 2.5 -12.1 -21.8 216 214 A A H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.911 108.2 50.5 -60.4 -40.2 6.2 -12.9 -20.7 217 215 A V H X S+ 0 0 77 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.969 113.4 45.0 -56.6 -54.4 7.1 -13.8 -24.4 218 216 A S H X S+ 0 0 15 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.863 117.6 43.9 -49.7 -48.5 5.6 -10.5 -25.8 219 217 A S H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.916 115.0 47.1 -68.8 -53.2 7.2 -8.3 -23.1 220 218 A S H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.864 107.7 57.2 -61.2 -37.1 10.7 -10.1 -23.3 221 219 A Q H X S+ 0 0 73 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.908 109.9 45.0 -60.9 -40.1 10.8 -9.9 -27.1 222 220 A T H X S+ 0 0 0 -4,-1.1 4,-1.9 -5,-0.2 -1,-0.2 0.851 112.3 49.7 -70.8 -41.8 10.4 -6.1 -27.0 223 221 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.920 108.5 54.5 -65.7 -44.4 13.0 -5.5 -24.2 224 222 A E H X S+ 0 0 40 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.932 111.6 44.9 -52.1 -48.8 15.6 -7.7 -26.2 225 223 A A H X S+ 0 0 14 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.855 111.0 52.4 -68.7 -36.9 15.2 -5.5 -29.3 226 224 A L H >X S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 4,-0.6 0.912 104.7 54.7 -64.5 -45.1 15.4 -2.2 -27.4 227 225 A V H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.896 101.3 60.3 -54.9 -41.1 18.7 -3.0 -25.6 228 226 A S H 3< S+ 0 0 36 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.709 106.7 48.3 -62.3 -19.1 20.2 -3.7 -29.1 229 227 A Q H << 0 0 88 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.525 360.0 360.0 -89.7 -9.8 19.4 0.1 -29.9 230 228 A L << 0 0 66 -3,-1.2 -3,-0.0 -4,-0.6 -4,-0.0 -0.457 360.0 360.0 -88.2 360.0 20.9 1.7 -26.8