==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAY-05 1ZOS . COMPND 2 MOLECULE: 5'-METHYLTHIOADENOSINE / S-ADENOSYLHOMOCYSTEINE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE R6; . AUTHOR W.SHI,V.SINGH,R ZHEN,P.C.TYLER,R.H.FURNEAUX,S.C.ALMO, . 1380 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1068 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 239 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 11.2 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 . 12 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 . 103 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 6 0 0 0 5 13 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 12 1 5 0 12 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 12 0 6 1 11 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 . 0 0 0 0 0 0 0 0 0 6 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,-0.6 0.000 360.0 360.0 360.0 174.4 47.3 -10.1 16.8 2 2 A K E -a 42 0A 53 65,-0.1 67,-3.4 39,-0.1 68,-1.4 -0.947 360.0-157.9-113.3 115.4 46.0 -6.7 15.7 3 3 A I E -ab 43 70A 0 39,-2.7 41,-2.0 -2,-0.6 2,-0.5 -0.830 7.4-152.0-103.2 123.2 43.1 -5.5 17.8 4 4 A G E -ab 44 71A 0 66,-3.1 68,-2.6 -2,-0.5 2,-0.5 -0.773 15.7-162.1 -88.2 126.2 40.6 -2.9 16.6 5 5 A I E -ab 45 72A 0 39,-3.2 41,-2.3 -2,-0.5 2,-0.4 -0.949 5.4-167.7-116.7 121.3 39.1 -0.9 19.5 6 6 A I E +ab 46 73A 0 66,-2.4 68,-2.0 -2,-0.5 2,-0.4 -0.891 11.8 174.9-113.7 134.0 35.9 1.0 19.1 7 7 A A E -a 47 0A 0 39,-2.2 41,-2.1 -2,-0.4 42,-0.5 -0.989 25.8-142.9-131.4 139.6 34.3 3.6 21.4 8 8 A A S S+ 0 0 3 66,-0.4 41,-0.9 -2,-0.4 -1,-0.1 0.899 82.0 29.0 -70.8 -40.7 31.2 5.6 20.4 9 9 A M S > S- 0 0 31 40,-0.1 3,-1.5 39,-0.1 4,-0.5 -0.816 82.2-111.4-121.9 160.2 32.2 8.9 22.0 10 10 A P G >> S+ 0 0 58 0, 0.0 4,-2.2 0, 0.0 3,-1.5 0.854 113.9 62.4 -56.7 -36.9 35.4 10.7 22.8 11 11 A E G 34 S+ 0 0 63 1,-0.3 4,-0.4 2,-0.2 64,-0.0 0.741 103.6 51.3 -60.7 -23.2 34.9 10.3 26.6 12 12 A E G <4 S+ 0 0 4 -3,-1.5 -1,-0.3 1,-0.1 4,-0.1 0.530 115.6 38.2 -93.6 -6.6 35.1 6.5 26.0 13 13 A L T <> S+ 0 0 7 -3,-1.5 4,-2.1 -4,-0.5 3,-0.4 0.637 91.7 86.8-113.6 -23.0 38.4 6.5 24.1 14 14 A A H X S+ 0 0 47 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.854 87.6 50.8 -45.9 -51.7 40.4 9.2 25.9 15 15 A Y H > S+ 0 0 44 -4,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.897 111.6 48.2 -58.1 -42.8 41.9 6.9 28.6 16 16 A L H >4 S+ 0 0 0 -3,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.878 109.4 52.0 -66.9 -38.6 43.1 4.4 26.0 17 17 A V H >< S+ 0 0 40 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.904 106.9 54.4 -64.3 -38.7 44.6 7.1 23.8 18 18 A Q H 3< S+ 0 0 147 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.695 112.9 43.7 -67.2 -19.0 46.5 8.4 26.9 19 19 A H T << S+ 0 0 74 -4,-0.7 2,-0.5 -3,-0.6 -1,-0.3 0.071 85.5 119.8-114.1 22.6 47.9 4.9 27.4 20 20 A L X - 0 0 12 -3,-1.5 3,-0.6 18,-0.1 2,-0.2 -0.793 51.3-149.7 -92.9 123.3 48.8 4.2 23.8 21 21 A D E 3 S+C 37 0A 86 16,-2.8 16,-2.5 -2,-0.5 3,-0.1 -0.644 78.6 13.9 -91.1 149.7 52.5 3.4 23.1 22 22 A N E 3 S- 0 0 131 -2,-0.2 -1,-0.2 14,-0.2 16,-0.0 0.883 94.2-163.9 54.7 39.8 54.2 4.3 19.8 23 23 A T E < + 0 0 58 -3,-0.6 2,-0.3 13,-0.1 13,-0.2 -0.260 20.7 167.2 -62.1 137.5 51.1 6.4 19.1 24 24 A Q E -C 35 0A 134 11,-1.7 11,-3.1 -3,-0.1 2,-0.5 -0.978 22.1-144.4-149.6 139.0 50.4 7.6 15.6 25 25 A E E -C 34 0A 125 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.940 13.7-173.5-115.1 127.7 47.2 9.2 14.2 26 26 A Q E -C 33 0A 81 7,-2.8 7,-3.2 -2,-0.5 2,-0.6 -0.948 18.3-139.8-118.1 136.1 45.9 8.6 10.7 27 27 A V E +C 32 0A 111 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.854 27.6 173.8 -96.9 120.3 42.9 10.3 9.1 28 28 A V E > -C 31 0A 9 3,-2.9 3,-1.6 -2,-0.6 267,-0.1 -0.992 67.1 -18.2-130.8 125.0 40.8 7.9 7.1 29 29 A L T 3 S- 0 0 64 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.874 129.3 -50.1 47.7 43.9 37.4 8.9 5.5 30 30 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 386,-0.0 -1,-0.3 0.626 119.5 97.9 75.5 14.7 37.2 11.9 7.8 31 31 A N E < S-C 28 0A 46 -3,-1.6 -3,-2.9 -5,-0.0 2,-0.5 -0.965 71.5-114.7-134.6 153.2 37.9 10.1 11.1 32 32 A T E -C 27 0A 43 -2,-0.3 15,-0.6 -5,-0.2 2,-0.5 -0.746 22.6-167.2 -93.1 126.1 40.9 9.6 13.2 33 33 A Y E -CD 26 46A 3 -7,-3.2 -7,-2.8 -2,-0.5 2,-0.7 -0.954 10.7-150.0-112.2 122.0 42.5 6.2 13.7 34 34 A H E -CD 25 45A 22 11,-2.9 11,-3.0 -2,-0.5 2,-0.3 -0.826 15.8-169.5 -95.1 114.5 45.0 5.8 16.5 35 35 A T E +CD 24 44A 12 -11,-3.1 -11,-1.7 -2,-0.7 2,-0.3 -0.719 33.9 84.7-102.8 154.2 47.7 3.2 15.8 36 36 A G E - D 0 43A 5 7,-1.5 7,-2.8 -2,-0.3 2,-0.3 -0.992 67.7 -64.2 155.7-155.4 50.2 1.8 18.2 37 37 A T E -CD 21 42A 22 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.4 -0.950 21.7-164.3-134.5 153.8 50.5 -0.8 21.0 38 38 A I E > S- D 0 41A 1 3,-2.2 3,-1.6 -2,-0.3 -18,-0.1 -0.971 87.5 -13.4-136.1 115.8 49.1 -1.5 24.4 39 39 A A T 3 S- 0 0 34 -2,-0.4 191,-0.2 1,-0.3 3,-0.1 0.908 131.0 -54.4 56.3 42.6 50.9 -4.0 26.6 40 40 A S T 3 S+ 0 0 103 1,-0.2 2,-0.5 190,-0.0 -1,-0.3 0.571 112.4 127.8 68.0 10.7 52.9 -5.0 23.5 41 41 A H E < - D 0 38A 12 -3,-1.6 -3,-2.2 -39,-0.0 2,-0.2 -0.874 63.0-124.9-100.7 126.6 49.6 -5.7 21.6 42 42 A E E +aD 2 37A 83 -41,-0.7 -39,-2.7 -2,-0.5 2,-0.3 -0.502 43.3 170.1 -68.6 130.8 49.2 -4.0 18.2 43 43 A V E -aD 3 36A 0 -7,-2.8 -7,-1.5 -2,-0.2 2,-0.4 -0.925 33.5-151.7-141.5 165.9 46.0 -1.9 18.3 44 44 A V E -aD 4 35A 0 -41,-2.0 -39,-3.2 -2,-0.3 2,-0.4 -0.961 19.9-158.3-139.8 117.2 44.0 0.6 16.4 45 45 A L E +aD 5 34A 0 -11,-3.0 -11,-2.9 -2,-0.4 2,-0.3 -0.807 15.0 173.3-101.5 139.3 41.7 2.9 18.4 46 46 A V E -aD 6 33A 0 -41,-2.3 -39,-2.2 -2,-0.4 2,-0.8 -0.997 33.2-141.1-149.6 141.6 38.7 4.8 16.9 47 47 A E E -a 7 0A 66 -15,-0.6 -39,-0.2 -2,-0.3 -15,-0.2 -0.899 26.1-175.7 -96.2 108.5 35.8 6.9 18.0 48 48 A S - 0 0 8 -41,-2.1 -40,-0.2 -2,-0.8 2,-0.2 0.837 32.1-117.6 -77.9 -35.4 33.0 5.6 15.7 49 49 A G - 0 0 7 -41,-0.9 -1,-0.2 -42,-0.5 2,-0.2 -0.356 47.5 -52.1 108.8 165.7 30.1 7.9 16.6 50 50 A I S S+ 0 0 22 -2,-0.2 4,-0.5 294,-0.2 3,-0.1 -0.463 89.9 21.0 -82.4 142.7 26.8 6.7 18.1 51 51 A G S > S- 0 0 0 -2,-0.2 4,-2.0 1,-0.1 5,-0.3 -0.188 90.7 -60.4 102.4 170.7 24.6 4.0 16.8 52 52 A K H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.915 125.7 46.4 -60.8 -48.6 24.4 0.9 14.7 53 53 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 113.6 46.0 -64.1 -50.2 25.5 2.5 11.4 54 54 A M H > S+ 0 0 23 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.930 116.7 44.4 -60.8 -45.9 28.4 4.5 12.7 55 55 A S H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.893 111.8 53.1 -66.9 -37.9 29.8 1.6 14.7 56 56 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.909 107.7 52.3 -62.4 -41.3 29.3 -0.8 11.8 57 57 A M H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.910 106.7 52.6 -61.7 -42.2 31.2 1.5 9.5 58 58 A S H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.897 108.1 51.1 -62.3 -39.2 34.1 1.7 11.9 59 59 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.945 109.9 49.8 -62.1 -46.9 34.3 -2.1 12.0 60 60 A A H X S+ 0 0 1 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.900 113.7 44.9 -58.0 -44.2 34.4 -2.3 8.2 61 61 A I H X>S+ 0 0 10 -4,-2.3 4,-2.8 2,-0.2 5,-1.0 0.880 109.5 55.0 -70.3 -37.6 37.1 0.3 7.9 62 62 A L H X5S+ 0 0 0 -4,-2.5 6,-1.5 -5,-0.2 4,-0.7 0.905 116.5 39.0 -61.7 -39.0 39.2 -1.3 10.7 63 63 A A H X5S+ 0 0 9 -4,-2.2 4,-1.0 4,-0.2 -2,-0.2 0.955 123.6 37.6 -74.9 -52.1 39.0 -4.6 8.7 64 64 A D H <5S+ 0 0 17 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.884 129.4 28.8 -69.1 -42.1 39.4 -3.2 5.2 65 65 A H H <5S+ 0 0 71 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.1 0.811 135.5 24.3 -92.1 -33.1 41.9 -0.4 5.9 66 66 A F H < S- 0 0 20 88,-1.9 3,-1.8 1,-0.1 88,-0.1 -0.524 90.3-100.7 -71.7 136.5 19.2 -5.7 35.8 82 82 A E T 3 S+ 0 0 169 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.290 106.1 25.3 -56.7 135.0 18.1 -5.1 39.4 83 83 A G T 3 S+ 0 0 77 1,-0.3 2,-0.5 -4,-0.1 -1,-0.2 0.142 84.3 123.7 98.4 -22.4 21.1 -4.5 41.7 84 84 A I < - 0 0 14 -3,-1.8 -1,-0.3 85,-0.1 2,-0.2 -0.641 50.9-149.2 -76.9 126.3 23.6 -3.3 39.0 85 85 A A > - 0 0 46 -2,-0.5 3,-2.1 1,-0.1 110,-0.3 -0.558 23.7 -90.8 -97.6 159.6 24.9 0.1 40.1 86 86 A V T 3 S+ 0 0 27 1,-0.3 110,-0.2 -2,-0.2 -1,-0.1 -0.442 117.4 32.1 -62.3 136.0 26.0 3.1 38.2 87 87 A G T 3 S+ 0 0 10 108,-2.4 -1,-0.3 1,-0.4 109,-0.1 0.209 89.0 127.1 98.7 -18.1 29.8 2.7 37.7 88 88 A D < - 0 0 7 -3,-2.1 107,-2.9 106,-0.1 2,-0.4 -0.332 56.0-129.0 -69.6 158.0 29.6 -1.1 37.5 89 89 A V E -gH 140 194A 11 50,-2.3 52,-2.3 105,-0.2 2,-0.5 -0.929 16.5-160.8-113.7 132.8 31.3 -2.8 34.6 90 90 A V E -gH 141 193A 0 103,-3.6 103,-2.4 -2,-0.4 2,-0.6 -0.960 3.2-159.2-115.7 124.8 29.5 -5.4 32.5 91 91 A I E -gH 142 192A 1 50,-3.5 52,-2.4 -2,-0.5 2,-0.6 -0.910 20.9-135.2-100.2 123.5 31.4 -7.8 30.3 92 92 A A E +gH 143 191A 0 99,-2.7 99,-0.6 -2,-0.6 52,-0.2 -0.708 27.8 175.8 -84.0 116.7 29.1 -9.1 27.5 93 93 A D E S+ 0 0 54 50,-1.6 28,-1.8 -2,-0.6 2,-0.3 0.752 80.9 14.6 -85.8 -23.8 29.4 -12.9 27.0 94 94 A K E -gI 144 120A 50 49,-0.8 51,-1.6 26,-0.2 2,-0.3 -0.979 69.5-159.1-145.4 153.7 26.6 -12.5 24.5 95 95 A L E +gI 145 119A 0 24,-2.5 24,-2.7 -2,-0.3 2,-0.3 -0.975 13.1 167.8-135.3 149.3 24.9 -9.7 22.6 96 96 A A E -g 146 0A 0 49,-1.3 51,-2.9 -2,-0.3 2,-0.4 -0.983 36.3-105.2-155.7 157.1 21.5 -9.3 21.0 97 97 A Y E -g 147 0A 1 13,-0.7 3,-0.3 20,-0.4 51,-0.2 -0.728 19.2-169.6 -87.1 134.2 19.3 -6.6 19.5 98 98 A H S S+ 0 0 10 49,-2.5 50,-0.2 -2,-0.4 -1,-0.1 0.527 84.9 53.1 -97.5 -5.7 16.3 -5.6 21.6 99 99 A D S S+ 0 0 19 48,-0.8 2,-0.5 11,-0.2 281,-0.2 0.104 81.7 105.7-116.6 22.3 14.7 -3.5 18.8 100 100 A V + 0 0 0 -3,-0.3 10,-2.6 279,-0.1 2,-0.4 -0.898 37.8 176.5-109.6 126.7 14.7 -6.0 15.9 101 101 A D B +k 381 0B 42 279,-0.6 281,-2.4 -2,-0.5 8,-0.1 -0.869 26.9 137.4-133.1 100.2 11.5 -7.6 14.7 102 102 A V > > + 0 0 2 -2,-0.4 3,-1.6 6,-0.3 5,-1.0 -0.114 34.0 126.9-124.9 28.9 11.6 -9.9 11.6 103 103 A T G > 5 + 0 0 61 1,-0.3 3,-2.2 3,-0.2 -1,-0.1 0.713 51.9 79.7 -62.8 -22.2 9.3 -12.4 13.3 104 104 A A G 3 5S+ 0 0 29 1,-0.3 -1,-0.3 278,-0.3 331,-0.1 0.765 96.4 47.2 -57.5 -24.6 6.9 -12.4 10.3 105 105 A F G < 5S- 0 0 68 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.379 129.5 -94.4 -97.6 1.9 9.4 -14.7 8.6 106 106 A G T < 5S+ 0 0 68 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.398 78.6 139.3 102.9 -4.2 9.8 -17.0 11.6 107 107 A Y < - 0 0 72 -5,-1.0 -1,-0.3 1,-0.1 3,-0.1 -0.377 60.5-102.0 -70.7 153.9 12.9 -15.5 13.2 108 108 A A > - 0 0 44 1,-0.1 3,-2.3 4,-0.1 -6,-0.3 -0.411 51.7 -83.7 -71.8 153.3 13.0 -15.2 16.9 109 109 A Y T 3 S+ 0 0 64 1,-0.3 -8,-0.2 -8,-0.1 -1,-0.1 -0.359 120.2 23.1 -59.0 135.6 12.2 -11.7 18.3 110 110 A G T 3 S+ 0 0 1 -10,-2.6 -13,-0.7 1,-0.2 2,-0.6 0.220 93.8 123.0 92.6 -14.3 15.4 -9.6 18.2 111 111 A Q < - 0 0 38 -3,-2.3 -9,-0.3 -11,-0.2 -1,-0.2 -0.723 56.3-139.4 -88.8 119.2 17.0 -11.8 15.5 112 112 A M > - 0 0 2 -2,-0.6 3,-1.8 4,-0.5 -4,-0.1 -0.427 35.3 -90.1 -73.3 148.1 18.0 -9.9 12.3 113 113 A A T 3 S+ 0 0 6 1,-0.3 168,-0.2 -2,-0.1 -1,-0.1 -0.311 113.5 13.1 -57.9 139.7 17.4 -11.6 9.0 114 114 A Q T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.673 115.2 97.3 66.7 17.6 20.3 -13.8 7.9 115 115 A Q S < S- 0 0 18 -3,-1.8 -1,-0.2 4,-0.0 2,-0.1 -0.927 78.2-106.5-135.2 158.3 21.8 -13.6 11.4 116 116 A P - 0 0 45 0, 0.0 -4,-0.5 0, 0.0 3,-0.0 -0.407 31.5-120.5 -76.7 162.7 21.9 -15.6 14.6 117 117 A L S S+ 0 0 40 -6,-0.2 -20,-0.4 1,-0.1 2,-0.4 0.915 97.2 37.8 -69.5 -44.0 19.8 -14.4 17.5 118 118 A Y - 0 0 87 -22,-0.1 2,-0.5 -7,-0.1 -22,-0.2 -0.883 68.1-153.1-112.9 142.7 22.8 -14.0 19.8 119 119 A F E -I 95 0A 6 -24,-2.7 -24,-2.5 -2,-0.4 2,-0.4 -0.946 22.8-144.1-108.6 129.2 26.3 -12.9 18.9 120 120 A E E -I 94 0A 117 -2,-0.5 69,-0.3 -26,-0.2 -26,-0.2 -0.837 7.4-127.4-104.4 134.9 28.9 -14.4 21.3 121 121 A S - 0 0 4 -28,-1.8 69,-0.2 -2,-0.4 5,-0.0 -0.399 53.4 -76.5 -68.5 151.4 32.0 -12.7 22.6 122 122 A D > - 0 0 50 67,-2.9 4,-2.6 1,-0.1 5,-0.2 -0.269 38.2-139.3 -53.0 126.9 35.2 -14.8 22.0 123 123 A K H > S+ 0 0 149 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.851 102.5 49.8 -58.4 -38.4 35.3 -17.6 24.5 124 124 A T H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 111.2 48.8 -68.7 -41.4 39.1 -17.1 25.1 125 125 A F H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.927 113.4 47.3 -62.5 -45.2 38.7 -13.4 25.6 126 126 A V 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5,-0.2 0.823 109.7 64.6 -60.6 -30.9 44.1 21.1 63.4 1080 156 E D H > S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 106.4 40.5 -59.2 -47.0 43.2 21.8 59.8 1081 157 E K H > S+ 0 0 67 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.864 112.3 56.4 -71.5 -33.5 39.5 22.4 60.6 1082 158 E I H X S+ 0 0 15 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.950 109.0 46.9 -60.7 -47.3 40.5 24.3 63.8 1083 159 E E H X S+ 0 0 125 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.880 110.9 52.5 -61.6 -38.5 42.6 26.7 61.8 1084 160 E A H X S+ 0 0 48 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.921 111.0 46.4 -63.8 -44.1 39.7 27.1 59.3 1085 161 E I H >X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 3,-1.0 0.926 111.6 51.5 -64.6 -43.5 37.3 27.9 62.0 1086 162 E K H 3< S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.788 99.2 64.9 -64.5 -27.5 39.7 30.4 63.6 1087 163 E S H 3< S+ 0 0 84 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.819 114.7 31.8 -64.8 -28.7 40.2 32.1 60.2 1088 164 E H H << S+ 0 0 80 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.821 137.1 23.2 -94.0 -40.3 36.5 33.1 60.5 1089 165 E F >< + 0 0 5 -4,-2.9 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22.4 69.3 1099 175 E G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.897 95.3 35.2 -43.8 -64.5 25.0 25.7 71.0 1100 176 E A H > S+ 0 0 0 -80,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.773 115.6 58.3 -66.6 -26.6 24.2 28.2 68.2 1101 177 E A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 110.0 42.5 -67.9 -45.1 21.2 26.0 67.1 1102 178 E I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.896 116.2 49.5 -66.6 -39.6 19.6 26.3 70.5 1103 179 E A H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.880 110.4 50.0 -67.3 -38.4 20.5 30.0 70.7 1104 180 E Q H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.944 112.5 47.1 -63.8 -47.7 19.1 30.6 67.2 1105 181 E A H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.888 113.4 48.6 -60.2 -41.2 15.8 28.8 68.2 1106 182 E A H ><>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 3,-0.5 0.922 110.3 51.5 -65.1 -44.3 15.7 30.8 71.5 1107 183 E H H ><5S+ 0 0 104 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.886 106.8 53.6 -59.3 -41.4 16.3 34.0 69.6 1108 184 E T H 3<5S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.781 113.8 42.7 -65.6 -26.3 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1128 204 E N H 3> S+ 0 0 34 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.903 112.2 45.4 -65.0 -36.9 37.1 11.1 69.2 1129 205 E I H <> S+ 0 0 68 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.933 114.0 46.9 -71.0 -47.1 39.1 9.2 71.8 1130 206 E F H X S+ 0 0 66 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.920 112.5 51.5 -61.7 -40.6 39.2 12.1 74.3 1131 207 E F H X S+ 0 0 25 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.951 110.1 48.4 -59.5 -49.2 35.5 12.6 73.8 1132 208 E D H < S+ 0 0 99 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.887 117.7 42.8 -57.2 -39.5 34.8 8.9 74.4 1133 209 E E H < S+ 0 0 122 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.860 123.6 32.3 -76.4 -37.9 37.0 9.0 77.6 1134 210 E F H X S+ 0 0 44 -4,-3.1 4,-3.4 -14,-0.4 5,-0.3 0.415 83.2 100.4-105.4 2.8 35.8 12.3 79.1 1135 211 E I H X S+ 0 0 11 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.903 87.9 47.4 -56.4 -42.6 32.2 12.6 78.1 1136 212 E I H > S+ 0 0 122 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.950 116.7 43.2 -63.5 -47.1 31.0 11.5 81.5 1137 213 E E H > S+ 0 0 91 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.901 115.9 48.0 -63.9 -43.8 33.4 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