==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 03-MAY-11 3RTJ . COMPND 2 MOLECULE: RNA (5'-R(*AP*G)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.F.MONZINGO,J.D.ROBERTUS . 520 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 23.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 52 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 0 0 1 0 2 1 0 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 13 8 2 7 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 3 2 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 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 5 A Q 0 0 233 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.8 3.6 73.4 64.5 2 6 A Y - 0 0 36 1,-0.1 52,-0.2 52,-0.0 49,-0.1 -0.747 360.0 -95.9 -97.6 146.0 5.9 70.9 62.8 3 7 A P - 0 0 50 0, 0.0 52,-2.8 0, 0.0 2,-0.5 -0.185 37.4-148.4 -55.5 147.1 5.0 67.2 62.4 4 8 A I E -a 55 0A 104 50,-0.2 2,-0.3 52,-0.1 52,-0.2 -0.903 16.3-178.6-131.8 108.7 6.5 64.9 65.1 5 9 A I E -a 56 0A 12 50,-1.9 52,-3.0 -2,-0.5 2,-0.4 -0.777 15.7-160.3 -96.5 143.4 7.5 61.3 64.5 6 10 A N E +a 57 0A 107 -2,-0.3 2,-0.3 50,-0.2 52,-0.2 -0.967 15.3 175.9-130.5 147.6 8.8 59.4 67.5 7 11 A F E -a 58 0A 12 50,-2.4 52,-1.3 -2,-0.4 2,-0.4 -0.989 11.7-157.8-143.7 144.3 10.9 56.3 68.0 8 12 A T E -a 59 0A 55 -2,-0.3 52,-0.2 50,-0.2 3,-0.1 -0.984 16.8-150.2-128.7 137.8 12.2 54.8 71.2 9 13 A T S S+ 0 0 1 50,-2.0 51,-0.2 -2,-0.4 52,-0.1 0.366 80.4 93.1 -84.6 4.9 15.2 52.4 71.5 10 14 A A S S+ 0 0 53 49,-0.6 -1,-0.1 1,-0.2 51,-0.1 0.996 107.5 4.1 -60.5 -77.8 13.5 50.9 74.5 11 15 A G S S+ 0 0 64 -3,-0.1 -1,-0.2 49,-0.1 5,-0.2 -0.027 93.3 169.2 -99.6 31.1 11.5 48.0 73.0 12 16 A A + 0 0 21 4,-0.1 2,-0.3 -3,-0.1 -3,-0.1 -0.104 5.4 170.6 -45.5 134.1 13.1 48.7 69.6 13 17 A T > - 0 0 58 1,-0.0 4,-1.5 0, 0.0 5,-0.2 -0.865 49.9 -97.5-141.5 170.6 12.3 45.9 67.2 14 18 A V H > S+ 0 0 19 -2,-0.3 4,-1.4 1,-0.2 175,-0.1 0.833 124.0 47.3 -64.5 -28.1 12.7 45.3 63.4 15 19 A Q H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.929 109.1 50.1 -76.1 -48.8 9.1 46.3 62.9 16 20 A S H > S+ 0 0 37 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.759 113.3 49.6 -62.0 -25.0 9.1 49.4 65.0 17 21 A Y H X S+ 0 0 2 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.879 109.1 49.8 -79.9 -41.3 12.2 50.5 63.1 18 22 A T H X S+ 0 0 23 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.804 113.7 46.9 -66.8 -30.4 10.7 49.8 59.7 19 23 A N H X S+ 0 0 93 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.848 109.1 55.1 -78.5 -36.9 7.5 51.8 60.6 20 24 A F H X S+ 0 0 8 -4,-1.2 4,-2.2 -5,-0.2 3,-0.4 0.979 112.9 40.2 -58.6 -57.2 9.6 54.7 62.0 21 25 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 5,-0.3 0.847 113.0 56.1 -61.4 -34.7 11.6 55.1 58.8 22 26 A R H X S+ 0 0 134 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.3 0.853 110.5 46.1 -65.0 -33.6 8.3 54.6 56.8 23 27 A A H X S+ 0 0 26 -4,-2.0 4,-1.1 -3,-0.4 -2,-0.2 0.850 110.9 51.5 -75.4 -39.3 6.9 57.5 58.8 24 28 A V H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 3,-0.2 0.888 113.5 44.1 -66.0 -42.4 10.0 59.7 58.3 25 29 A R H X S+ 0 0 38 -4,-2.5 4,-1.6 1,-0.2 3,-0.5 0.892 108.8 59.4 -69.3 -38.7 9.9 59.2 54.5 26 30 A G H < S+ 0 0 51 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.789 109.4 43.1 -59.7 -28.2 6.1 59.7 54.6 27 31 A R H < S+ 0 0 129 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.640 108.7 56.8 -93.4 -18.4 6.6 63.1 56.1 28 32 A L H < S+ 0 0 1 -4,-1.1 2,-0.2 -3,-0.5 -2,-0.2 0.955 105.4 46.3 -78.4 -52.9 9.5 64.3 53.9 29 33 A T < - 0 0 24 -4,-1.6 12,-0.1 12,-0.1 44,-0.0 -0.580 62.9-151.5 -91.3 155.0 8.0 63.9 50.4 30 34 A T - 0 0 113 10,-0.4 -1,-0.1 -2,-0.2 11,-0.1 0.418 38.8-125.1-100.3 -4.0 4.5 65.0 49.4 31 35 A G S S+ 0 0 53 9,-0.3 3,-0.1 2,-0.2 10,-0.1 0.572 86.1 107.5 70.9 8.4 4.3 62.2 46.8 32 36 A A S S+ 0 0 89 1,-0.2 2,-0.6 8,-0.1 -1,-0.1 0.824 73.2 51.8 -84.2 -34.9 3.6 64.8 44.1 33 37 A D + 0 0 38 7,-0.3 7,-3.1 2,-0.0 2,-0.4 -0.915 65.8 155.1-111.8 112.5 7.0 64.6 42.5 34 38 A V E -F 39 0B 72 -2,-0.6 2,-0.4 5,-0.3 3,-0.1 -0.997 16.7-171.0-137.3 129.1 8.2 61.1 41.5 35 39 A R E > S-F 38 0B 25 3,-2.6 3,-1.6 -2,-0.4 180,-0.1 -0.982 73.7 -9.3-128.8 128.1 10.8 60.2 38.8 36 40 A H T 3 S- 0 0 42 -2,-0.4 -1,-0.1 1,-0.3 179,-0.0 0.828 130.1 -57.4 57.8 33.4 11.7 56.8 37.6 37 41 A E T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -3,-0.1 442,-0.1 0.511 116.1 114.3 76.2 10.1 9.6 55.5 40.5 38 42 A I E < -F 35 0B 0 -3,-1.6 -3,-2.6 212,-0.0 -1,-0.2 -0.943 67.6-122.7-114.4 124.3 11.7 57.3 43.1 39 43 A P E -F 34 0B 26 0, 0.0 212,-1.5 0, 0.0 2,-0.3 -0.376 22.4-144.3 -65.4 138.2 10.1 60.1 45.1 40 44 A V B -g 251 0C 4 -7,-3.1 -10,-0.4 210,-0.2 -7,-0.3 -0.742 15.8-118.6-101.5 152.8 11.8 63.6 45.0 41 45 A L - 0 0 0 210,-3.1 212,-0.2 -2,-0.3 32,-0.1 -0.530 44.0 -77.7 -87.3 155.6 12.0 66.0 47.9 42 46 A P - 0 0 23 0, 0.0 211,-0.4 0, 0.0 2,-0.4 -0.044 48.0-106.8 -49.9 151.3 10.4 69.5 47.9 43 47 A N - 0 0 57 1,-0.2 211,-0.1 2,-0.1 30,-0.0 -0.675 22.5-141.6 -81.0 134.8 12.2 72.3 46.1 44 48 A R S > S+ 0 0 110 -2,-0.4 3,-1.8 209,-0.2 2,-0.2 0.965 81.2 81.9 -62.8 -52.8 13.8 74.7 48.5 45 49 A V T 3 S+ 0 0 105 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 -0.338 105.8 12.3 -58.5 116.6 12.9 77.8 46.6 46 50 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.680 87.5 138.7 91.5 18.0 9.4 78.8 47.4 47 51 A L < - 0 0 37 -3,-1.8 -1,-0.2 -5,-0.1 2,-0.1 -0.869 53.6-126.6-103.8 110.3 8.8 76.5 50.4 48 52 A P > - 0 0 58 0, 0.0 3,-2.9 0, 0.0 4,-0.2 -0.293 21.1-121.0 -52.7 121.6 6.9 78.1 53.3 49 53 A I T 3 S+ 0 0 67 1,-0.3 3,-0.4 2,-0.2 4,-0.2 0.515 107.8 71.8 -45.8 -6.0 8.8 77.8 56.5 50 54 A N T 3 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.521 107.0 32.6 -89.6 -5.8 5.8 75.9 58.0 51 55 A Q S < S+ 0 0 111 -3,-2.9 -1,-0.2 -49,-0.1 -2,-0.2 -0.014 96.3 94.9-133.3 22.2 6.5 72.8 55.9 52 56 A R S S+ 0 0 13 -3,-0.4 20,-2.1 -4,-0.2 21,-0.4 0.605 85.7 31.3 -92.5 -16.3 10.2 73.2 55.9 53 57 A F E - B 0 71A 3 18,-0.2 2,-0.3 -4,-0.2 18,-0.2 -0.957 55.8-160.6-142.0 158.9 11.1 70.9 58.8 54 58 A I E - B 0 70A 3 16,-1.7 16,-2.1 -2,-0.3 2,-0.5 -0.921 22.8-130.2-132.0 156.3 9.8 67.8 60.5 55 59 A L E -aB 4 69A 20 -52,-2.8 -50,-1.9 -2,-0.3 2,-0.5 -0.948 13.6-163.9-119.1 123.4 10.7 66.8 64.1 56 60 A V E -aB 5 68A 0 12,-2.8 12,-3.1 -2,-0.5 2,-0.6 -0.897 8.9-159.3-103.3 124.1 12.0 63.4 65.1 57 61 A E E -aB 6 67A 61 -52,-3.0 -50,-2.4 -2,-0.5 2,-0.4 -0.915 7.9-170.4-107.9 123.7 11.8 62.6 68.8 58 62 A L E +aB 7 66A 2 8,-2.7 8,-2.4 -2,-0.6 2,-0.3 -0.889 7.1 174.9-113.9 141.8 14.1 59.8 70.1 59 63 A S E -aB 8 65A 33 -52,-1.3 -50,-2.0 -2,-0.4 -49,-0.6 -0.997 9.1-161.7-145.5 139.7 13.9 58.3 73.6 60 64 A N > - 0 0 4 4,-1.6 3,-1.6 -2,-0.3 -50,-0.1 -0.401 42.2 -78.8-112.6-169.9 15.8 55.4 75.2 61 65 A H T 3 S+ 0 0 145 1,-0.3 -51,-0.0 -52,-0.1 80,-0.0 0.838 121.7 63.6 -56.2 -40.7 15.7 53.0 78.1 62 66 A A T 3 S- 0 0 58 1,-0.1 -1,-0.3 79,-0.1 3,-0.1 0.357 113.1-116.3 -69.8 5.9 17.0 55.6 80.5 63 67 A E < + 0 0 161 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.477 69.9 141.9 71.6 1.4 13.9 57.7 79.9 64 68 A L - 0 0 20 1,-0.0 -4,-1.6 2,-0.0 2,-0.3 -0.484 33.6-161.0 -73.9 144.8 16.1 60.4 78.4 65 69 A S E +B 59 0A 39 -6,-0.2 2,-0.3 -2,-0.2 18,-0.3 -0.963 15.2 177.7-133.4 149.5 14.6 62.2 75.4 66 70 A V E -B 58 0A 1 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.5 -0.992 17.7-143.4-146.1 145.1 16.0 64.3 72.5 67 71 A T E -BC 57 81A 23 14,-2.6 14,-2.1 -2,-0.3 2,-0.3 -0.919 11.4-159.2-121.3 114.0 14.3 65.9 69.5 68 72 A L E -BC 56 80A 0 -12,-3.1 -12,-2.8 -2,-0.5 2,-0.6 -0.636 7.5-147.4 -88.1 143.8 16.0 66.2 66.1 69 73 A A E -BC 55 79A 0 10,-2.0 9,-2.4 -2,-0.3 10,-0.9 -0.951 15.4-165.4-112.9 113.6 14.9 68.7 63.5 70 74 A L E -BC 54 77A 0 -16,-2.1 -16,-1.7 -2,-0.6 2,-0.5 -0.832 20.5-125.3-102.9 138.0 15.3 67.5 59.9 71 75 A D E >>> -BC 53 76A 5 5,-3.0 4,-2.1 -2,-0.4 3,-1.1 -0.692 14.9-145.6 -81.0 124.3 15.2 69.8 56.9 72 76 A V T 345S+ 0 0 7 -20,-2.1 -1,-0.1 -2,-0.5 -19,-0.1 0.715 91.6 64.0 -64.3 -22.6 12.6 68.5 54.4 73 77 A T T 345S+ 0 0 8 -21,-0.4 180,-0.4 1,-0.1 -1,-0.2 0.681 127.4 4.5 -77.8 -17.3 14.5 69.6 51.3 74 78 A N T <45S- 0 0 40 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.338 93.3-114.0-146.9 5.2 17.5 67.3 51.9 75 79 A A T <5 + 0 0 0 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.758 62.6 160.8 60.2 26.8 16.6 65.1 55.0 76 80 A Y E < -C 71 0A 93 -5,-0.7 -5,-3.0 1,-0.0 2,-0.8 -0.622 45.4-128.2 -80.8 130.5 19.5 67.0 56.6 77 81 A V E +C 70 0A 5 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.728 33.5 175.0 -79.6 112.8 19.6 66.9 60.5 78 82 A V E - 0 0 19 -9,-2.4 11,-2.0 -2,-0.8 2,-0.3 0.624 53.2 -39.9 -97.2 -15.2 20.0 70.7 61.2 79 83 A G E -CD 69 88A 0 -10,-0.9 -10,-2.0 9,-0.2 2,-0.3 -0.973 52.4-132.6 178.4-168.0 19.8 70.7 65.0 80 84 A Y E -CD 68 87A 0 7,-2.1 7,-2.8 -2,-0.3 2,-0.4 -0.988 8.9-129.9-167.6 162.6 18.1 69.4 68.0 81 85 A R E -CD 67 86A 63 -14,-2.1 -14,-2.6 -2,-0.3 2,-0.3 -0.934 16.5-179.6-120.8 143.5 16.5 70.2 71.4 82 86 A A E > - D 0 85A 1 3,-2.5 3,-1.6 -2,-0.4 2,-0.5 -0.887 65.0 -47.0-144.3 107.4 17.3 68.6 74.7 83 87 A G T 3 S- 0 0 44 -2,-0.3 24,-0.1 -18,-0.3 65,-0.0 -0.544 124.4 -15.7 72.0-117.5 15.3 69.8 77.7 84 88 A N T 3 S+ 0 0 86 -2,-0.5 25,-1.5 23,-0.1 24,-1.2 0.329 124.3 78.1-103.2 3.4 15.1 73.6 77.7 85 89 A S E < -De 82 109A 4 -3,-1.6 -3,-2.5 22,-0.2 2,-0.4 -0.790 56.7-160.4-116.2 159.7 18.0 74.1 75.2 86 90 A A E -De 81 110A 0 23,-2.4 25,-2.9 -2,-0.3 2,-0.4 -0.997 4.4-162.6-137.6 138.1 18.4 73.8 71.4 87 91 A Y E -De 80 111A 14 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.4 -0.983 6.0-165.9-125.5 134.6 21.6 73.4 69.4 88 92 A F E -De 79 112A 0 23,-2.0 25,-2.3 -2,-0.4 -9,-0.2 -0.941 24.8-117.6-121.8 139.7 22.1 74.1 65.7 89 93 A F - 0 0 12 -11,-2.0 27,-0.2 -2,-0.4 25,-0.1 -0.450 54.8 -85.5 -67.0 149.2 24.8 73.1 63.3 90 94 A H - 0 0 103 25,-3.3 27,-0.3 1,-0.1 -1,-0.1 -0.412 50.0-121.8 -59.7 118.1 26.5 76.3 61.9 91 95 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.356 11.6-147.6 -63.5 140.4 24.3 77.3 58.9 92 96 A D S S+ 0 0 130 1,-0.1 2,-0.3 -2,-0.0 3,-0.1 0.138 75.4 23.5 -98.7 21.8 26.3 77.5 55.6 93 97 A N S > S- 0 0 59 1,-0.1 4,-1.9 0, 0.0 5,-0.2 -0.921 80.4-106.2-176.1 153.2 24.2 80.4 54.1 94 98 A Q H > S+ 0 0 89 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.892 113.7 55.2 -53.2 -49.1 22.0 83.3 55.0 95 99 A E H > S+ 0 0 54 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.930 110.2 46.2 -52.1 -51.4 18.7 81.7 54.0 96 100 A D H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 109.3 54.2 -59.2 -43.5 19.3 78.7 56.2 97 101 A A H < S+ 0 0 37 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.908 108.4 50.3 -59.0 -41.3 20.3 80.8 59.2 98 102 A E H < S+ 0 0 61 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.798 110.3 51.6 -67.2 -29.1 17.0 82.7 58.8 99 103 A A H >< S+ 0 0 5 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.874 98.1 60.4 -77.4 -40.8 15.0 79.4 58.7 100 104 A I G >< S+ 0 0 16 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.584 87.7 80.6 -65.9 -4.8 16.4 77.7 61.8 101 105 A T G 3 S+ 0 0 67 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.830 87.7 54.3 -68.1 -32.1 15.0 80.7 63.7 102 106 A H G < S+ 0 0 88 -3,-1.8 3,-0.4 -4,-0.2 2,-0.3 0.407 89.3 97.9 -83.5 0.4 11.6 79.2 63.6 103 107 A L S < S- 0 0 0 -3,-1.0 -23,-0.1 1,-0.2 -17,-0.0 -0.723 95.7 -5.2 -93.3 142.7 12.7 75.9 65.2 104 108 A F S S+ 0 0 13 -2,-0.3 -1,-0.2 1,-0.1 -18,-0.0 0.914 70.5 169.3 41.1 63.8 12.3 75.3 68.9 105 109 A T + 0 0 104 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.767 68.3 65.0 -73.1 -24.2 10.9 78.7 69.6 106 110 A D S S+ 0 0 130 -21,-0.0 -1,-0.2 2,-0.0 -2,-0.1 0.987 77.9 99.0 -58.0 -67.6 10.0 77.6 73.1 107 111 A V - 0 0 13 1,-0.1 -22,-0.2 -24,-0.1 3,-0.1 0.294 64.6-144.7 -26.0 140.0 13.5 76.9 74.5 108 112 A Q S S+ 0 0 83 -24,-1.2 2,-0.5 1,-0.2 -23,-0.2 0.803 86.3 48.8 -81.4 -31.2 15.2 79.4 76.7 109 113 A N E -e 85 0A 53 -25,-1.5 -23,-2.4 2,-0.0 2,-0.6 -0.931 60.7-179.3-120.0 114.2 18.7 78.7 75.4 110 114 A R E -e 86 0A 99 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.944 9.4-177.6-112.1 118.7 19.5 78.5 71.7 111 115 A Y E -e 87 0A 114 -25,-2.9 -23,-2.0 -2,-0.6 2,-0.5 -0.895 15.2-151.4-115.3 146.3 23.2 77.8 70.8 112 116 A T E -e 88 0A 74 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.954 22.4-126.3-120.8 112.1 24.7 77.6 67.4 113 117 A F - 0 0 14 -25,-2.3 -26,-0.0 -2,-0.5 0, 0.0 -0.061 11.9-129.2 -50.9 153.4 27.7 75.3 67.0 114 118 A A S S+ 0 0 95 -24,-0.1 2,-0.2 -25,-0.1 -1,-0.1 0.642 90.0 57.9 -80.0 -15.4 30.9 76.7 65.5 115 119 A F S S- 0 0 20 1,-0.1 -25,-3.3 2,-0.0 2,-0.1 -0.662 82.7-113.3-114.3 167.9 30.9 73.8 63.0 116 120 A G - 0 0 15 -27,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.326 24.3-115.3 -93.0 178.1 28.7 72.4 60.3 117 121 A G S S+ 0 0 8 -27,-0.3 5,-0.1 -2,-0.1 -40,-0.1 0.655 71.2 123.0 -88.5 -17.0 26.9 69.1 60.2 118 122 A N S > S- 0 0 57 1,-0.1 4,-1.9 3,-0.1 5,-0.1 0.034 72.1-116.0 -42.7 151.9 28.8 67.7 57.2 119 123 A Y H > S+ 0 0 32 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.903 108.6 56.5 -62.1 -45.8 30.5 64.4 57.7 120 124 A D H > S+ 0 0 112 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.973 111.1 42.8 -50.1 -63.2 34.1 65.6 57.3 121 125 A R H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 118.5 47.0 -51.5 -43.4 33.8 68.2 60.0 122 126 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.854 112.2 48.5 -69.3 -35.8 32.0 65.7 62.2 123 127 A E H X>S+ 0 0 24 -4,-3.7 5,-1.5 -3,-0.2 4,-1.3 0.851 111.4 51.9 -71.1 -35.3 34.5 62.9 61.6 124 128 A Q H <5S+ 0 0 133 -4,-2.8 3,-0.4 -5,-0.3 -2,-0.2 0.955 113.0 42.4 -64.7 -51.6 37.4 65.2 62.3 125 129 A L H <5S+ 0 0 50 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.836 112.5 55.1 -64.4 -36.0 35.9 66.4 65.6 126 130 A A H <5S- 0 0 11 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.790 102.7-132.2 -70.1 -27.2 34.9 62.9 66.6 127 131 A G T <5S+ 0 0 59 -4,-1.3 2,-0.3 -3,-0.4 -3,-0.2 0.750 75.8 85.9 79.1 23.4 38.4 61.6 66.1 128 132 A N S > - 0 0 95 -2,-0.3 3,-2.7 -3,-0.1 4,-1.1 -0.608 37.7-107.8 -93.0 156.1 35.9 57.8 60.5 130 134 A R T 34 S+ 0 0 12 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.797 119.7 66.1 -51.0 -27.6 32.4 56.7 59.7 131 135 A E T 34 S+ 0 0 80 1,-0.2 -1,-0.3 64,-0.1 64,-0.2 0.585 103.6 41.0 -71.9 -14.8 34.1 53.3 59.3 132 136 A N T <4 S+ 0 0 95 -3,-2.7 2,-0.6 62,-0.1 -1,-0.2 0.565 91.8 91.7-110.4 -13.3 35.1 52.9 62.9 133 137 A I S < S- 0 0 0 -4,-1.1 2,-0.1 -3,-0.2 61,-0.1 -0.754 75.0-137.7 -84.8 116.5 31.9 54.2 64.5 134 138 A E - 0 0 71 -2,-0.6 2,-0.3 61,-0.2 61,-0.2 -0.418 15.4-151.8 -76.3 153.2 29.7 51.2 65.1 135 139 A L B +H 194 0D 0 59,-1.0 59,-1.8 -2,-0.1 2,-0.3 -0.876 38.7 92.2-125.2 155.4 26.0 51.3 64.4 136 140 A G S > S- 0 0 0 -2,-0.3 4,-0.9 57,-0.2 57,-0.1 -0.950 85.8 -62.7 154.0-168.4 23.0 49.5 65.9 137 141 A N H > S+ 0 0 29 55,-0.4 4,-1.8 50,-0.3 5,-0.2 0.830 129.7 57.4 -78.9 -32.0 20.4 49.9 68.7 138 142 A G H > S+ 0 0 19 54,-0.3 4,-1.9 1,-0.2 3,-0.5 0.977 107.8 46.4 -59.3 -55.2 23.1 49.9 71.3 139 143 A P H > S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.749 110.1 54.7 -58.6 -27.0 24.9 52.8 69.7 140 144 A L H X S+ 0 0 4 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.845 105.9 50.6 -77.3 -34.4 21.6 54.8 69.3 141 145 A E H X S+ 0 0 56 -4,-1.8 4,-1.9 -3,-0.5 5,-0.2 0.941 113.8 46.1 -65.5 -45.7 20.8 54.5 73.0 142 146 A E H X S+ 0 0 103 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.853 110.8 52.8 -64.2 -37.1 24.2 55.7 73.9 143 147 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.863 107.0 51.7 -69.0 -36.9 24.0 58.5 71.3 144 148 A I H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.946 113.3 43.8 -65.7 -47.0 20.7 59.8 72.7 145 149 A S H X S+ 0 0 27 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.915 114.0 51.2 -62.4 -43.6 22.1 60.0 76.3 146 150 A A H X S+ 0 0 13 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.912 113.6 44.7 -59.3 -43.6 25.3 61.5 75.0 147 151 A L H < S+ 0 0 1 -4,-2.5 3,-0.4 2,-0.2 4,-0.4 0.867 113.2 51.7 -67.7 -39.7 23.2 64.1 73.1 148 152 A Y H >< S+ 0 0 65 -4,-2.7 3,-1.4 1,-0.2 4,-0.4 0.938 108.1 48.9 -64.2 -51.2 20.9 64.7 76.0 149 153 A Y H 3X>S+ 0 0 103 -4,-2.7 5,-2.1 1,-0.3 4,-0.6 0.584 89.8 81.4 -68.6 -10.9 23.6 65.3 78.6 150 154 A Y T 3<5S+ 0 0 65 -4,-0.6 3,-0.4 -3,-0.4 -1,-0.3 0.815 88.3 57.5 -65.1 -26.1 25.4 67.8 76.4 151 155 A S T <45S+ 0 0 30 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.812 108.6 44.2 -72.1 -30.2 22.9 70.4 77.6 152 156 A T T 45S- 0 0 95 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.438 121.0-109.6 -92.1 -1.8 23.9 69.8 81.2 153 157 A G T <5S+ 0 0 59 -4,-0.6 -3,-0.2 -3,-0.4 -2,-0.1 0.572 85.5 115.8 88.0 9.8 27.6 69.9 80.3 154 158 A G < + 0 0 52 -5,-2.1 2,-0.3 -8,-0.1 -4,-0.2 -0.186 54.5 80.6-106.3 43.6 28.5 66.2 80.8 155 159 A T S S- 0 0 15 -6,-0.2 -2,-0.1 -5,-0.2 5,-0.1 -0.921 72.7-133.9-146.9 115.6 29.3 65.2 77.2 156 160 A Q >> - 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