==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RNA METHYLTRANSFERASE 02-MAR-07 2EGW . COMPND 2 MOLECULE: UPF0088 PROTEIN AQ_165; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR X.DONG,M.SHIROUZU,Y.BESSHO,S.YOKOYAMA,RIKEN STRUCTURAL . 460 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 10.7 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 . 5 1.1 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 . 49 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 1 1 1 1 0 1 2 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 2 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 90 0, 0.0 34,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 156.8 8.7 -0.0 2.4 2 2 A H - 0 0 87 32,-0.2 34,-3.3 22,-0.0 2,-0.3 -0.350 360.0-151.3 -72.8 159.6 10.9 -3.1 2.9 3 3 A V E +a 36 0A 14 32,-0.2 2,-0.3 34,-0.1 34,-0.2 -0.992 15.6 177.0-137.8 145.3 14.7 -2.5 2.9 4 4 A F E -a 37 0A 1 32,-1.5 34,-2.2 -2,-0.3 2,-0.5 -0.885 26.0-118.7-138.9 167.4 17.6 -4.8 2.0 5 5 A Y E -a 38 0A 62 -2,-0.3 2,-0.4 32,-0.2 12,-0.3 -0.956 24.7-173.0-120.2 124.4 21.4 -4.5 1.8 6 6 A S - 0 0 6 32,-1.7 34,-0.5 -2,-0.5 10,-0.1 -0.909 16.1-166.9-115.1 140.1 23.3 -5.0 -1.4 7 7 A E S S+ 0 0 157 8,-0.5 2,-0.2 -2,-0.4 32,-0.1 -0.177 72.0 52.2-115.6 38.6 27.1 -5.1 -1.8 8 8 A E - 0 0 52 7,-0.1 7,-2.0 2,-0.0 2,-0.4 -0.739 54.8-178.5-175.2 124.0 27.3 -4.8 -5.6 9 9 A R E -B 14 0A 98 -2,-0.2 2,-0.5 5,-0.2 5,-0.2 -0.989 9.0-165.9-133.1 139.3 25.9 -2.4 -8.3 10 10 A R E > -B 13 0A 144 3,-1.9 3,-1.1 -2,-0.4 2,-0.9 -0.974 69.8 -47.9-122.8 113.2 26.2 -2.3 -12.1 11 11 A G T 3 S- 0 0 70 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.477 127.7 -18.4 65.1-103.0 25.2 0.9 -13.7 12 12 A N T 3 S+ 0 0 76 -2,-0.9 48,-2.1 2,-0.0 2,-0.4 -0.187 116.5 100.6-128.6 38.4 21.8 1.6 -12.0 13 13 A L E < -BC 10 59A 19 -3,-1.1 -3,-1.9 46,-0.2 2,-0.4 -0.988 51.6-159.0-130.4 132.3 21.1 -1.9 -10.7 14 14 A L E -BC 9 58A 0 44,-2.2 44,-2.4 -2,-0.4 2,-0.5 -0.899 13.2-148.6-109.1 138.9 21.6 -3.3 -7.2 15 15 A I E - C 0 57A 8 -7,-2.0 -8,-0.5 -2,-0.4 42,-0.2 -0.927 1.5-152.1-116.6 126.2 21.9 -7.0 -6.6 16 16 A L E - C 0 56A 0 40,-2.6 40,-1.4 -2,-0.5 2,-0.3 -0.524 19.5-170.8 -85.0 156.2 20.7 -9.0 -3.6 17 17 A R E > - C 0 55A 98 -12,-0.3 3,-2.1 38,-0.2 38,-0.2 -0.998 39.6 -29.6-151.3 151.5 22.5 -12.2 -2.6 18 18 A E T >> S+ 0 0 129 36,-1.1 3,-1.7 -2,-0.3 4,-1.3 -0.116 129.8 21.1 46.5-129.2 22.2 -15.2 -0.3 19 19 A G H 3> S+ 0 0 25 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.787 125.7 58.1 -34.2 -41.4 20.4 -14.3 3.0 20 20 A E H <> S+ 0 0 3 -3,-2.1 4,-3.8 1,-0.2 5,-0.3 0.900 99.5 53.9 -62.0 -44.2 19.0 -11.3 1.1 21 21 A V H <> S+ 0 0 9 -3,-1.7 4,-1.4 33,-0.2 -1,-0.2 0.811 111.6 48.2 -61.9 -28.3 17.2 -13.4 -1.6 22 22 A K H X S+ 0 0 100 -4,-1.3 4,-2.7 -3,-0.3 5,-0.3 0.972 114.0 44.2 -72.5 -56.2 15.6 -15.4 1.2 23 23 A H H X S+ 0 0 58 -4,-2.5 4,-1.2 1,-0.3 -2,-0.2 0.934 118.4 44.8 -51.2 -51.3 14.5 -12.2 3.1 24 24 A F H < S+ 0 0 1 -4,-3.8 -1,-0.3 2,-0.2 -2,-0.2 0.819 112.9 53.9 -64.0 -31.9 13.3 -10.7 -0.1 25 25 A R H < S+ 0 0 90 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.983 103.2 50.7 -67.9 -60.1 11.7 -13.9 -1.1 26 26 A V H < S+ 0 0 97 -4,-2.7 2,-1.4 1,-0.2 -1,-0.2 0.826 98.5 78.2 -47.5 -31.8 9.5 -14.5 1.9 27 27 A R S < S- 0 0 99 -4,-1.2 -1,-0.2 -5,-0.3 -25,-0.0 -0.694 80.0-157.6 -79.2 94.7 8.5 -10.9 1.2 28 28 A R - 0 0 158 -2,-1.4 -1,-0.2 3,-0.0 -2,-0.0 0.916 20.6-179.5 -37.1 -70.3 6.1 -11.7 -1.6 29 29 A I - 0 0 21 -3,-0.1 4,-0.1 3,-0.1 -2,-0.0 0.933 34.1-105.0 64.0 98.6 6.4 -8.1 -3.0 30 30 A E > - 0 0 115 1,-0.1 3,-0.6 2,-0.1 18,-0.3 -0.113 42.3 -93.4 -49.8 147.6 4.3 -7.6 -6.1 31 31 A K T 3 S+ 0 0 137 1,-0.3 17,-0.3 16,-0.1 2,-0.3 0.737 121.0 29.2 -36.0 -36.0 6.3 -7.5 -9.4 32 32 A D T 3 S+ 0 0 84 15,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.665 79.5 126.7-138.4 86.3 6.5 -3.8 -9.0 33 33 A E < - 0 0 83 -3,-0.6 2,-0.6 -2,-0.3 15,-0.4 -0.940 59.1-110.3-129.3 147.6 6.4 -2.3 -5.5 34 34 A E + 0 0 121 -2,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.756 43.5 163.2 -91.8 121.1 8.9 0.1 -4.2 35 35 A F E - D 0 46A 4 11,-2.5 11,-2.4 -2,-0.6 -32,-0.2 -0.939 34.1-108.2-130.9 151.7 11.3 -1.2 -1.5 36 36 A G E -aD 3 45A 0 -34,-3.3 -32,-1.5 -2,-0.3 2,-0.3 -0.422 22.6-170.7 -85.9 155.9 14.6 0.2 -0.3 37 37 A V E -aD 4 44A 0 7,-1.4 7,-2.0 -34,-0.2 2,-0.4 -0.841 12.3-151.3-147.3 104.7 18.1 -1.1 -0.8 38 38 A I E +aD 5 43A 10 -34,-2.2 -32,-1.7 -2,-0.3 2,-0.4 -0.639 22.9 175.0 -78.8 126.1 21.0 0.5 1.1 39 39 A H E > - D 0 42A 2 3,-2.3 3,-1.1 -2,-0.4 -32,-0.1 -0.983 56.6 -34.0-140.7 127.6 24.2 0.2 -0.9 40 40 A E T 3 S- 0 0 147 -34,-0.5 98,-0.1 -2,-0.4 2,-0.1 0.726 131.0 -16.1 32.9 50.3 27.7 1.6 -0.1 41 41 A G T 3 S+ 0 0 27 96,-0.6 -1,-0.3 1,-0.3 2,-0.2 -0.441 125.9 35.3 135.6 -67.3 26.5 4.8 1.6 42 42 A K E < S-D 39 0A 107 -3,-1.1 -3,-2.3 -2,-0.1 2,-0.4 -0.428 75.0-107.7-111.5-172.5 22.9 5.6 0.9 43 43 A I E -DE 38 64A 6 21,-0.6 21,-1.3 -5,-0.3 2,-0.5 -0.917 27.2-149.4-117.1 144.3 19.7 3.7 0.4 44 44 A Y E -DE 37 63A 15 -7,-2.0 -7,-1.4 -2,-0.4 2,-0.3 -0.966 12.7-131.2-122.7 130.7 18.0 3.4 -2.9 45 45 A V E +DE 36 62A 7 17,-1.9 16,-2.3 -2,-0.5 17,-1.1 -0.587 42.4 179.0 -71.4 133.1 14.3 3.1 -3.7 46 46 A C E -DE 35 60A 0 -11,-2.4 -11,-2.5 -2,-0.3 2,-0.4 -0.966 31.8-153.6-143.7 159.0 13.9 0.2 -6.1 47 47 A K E - E 0 59A 51 12,-1.1 12,-2.2 -2,-0.3 -13,-0.1 -0.948 47.0 -90.4-124.0 143.9 11.4 -1.9 -8.0 48 48 A V E - E 0 58A 6 -15,-0.4 10,-0.2 -2,-0.4 3,-0.1 -0.259 36.5-179.7 -58.5 141.5 12.2 -5.5 -9.0 49 49 A R E S- 0 0 121 8,-2.1 2,-0.3 1,-0.4 9,-0.2 0.709 73.2 -16.4-107.7 -38.0 14.0 -5.9 -12.4 50 50 A R E - E 0 57A 191 7,-1.1 7,-2.1 2,-0.0 2,-0.5 -0.863 63.3-147.8-169.8 133.7 14.2 -9.7 -12.3 51 51 A E E + E 0 56A 69 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.938 21.1 164.0-118.1 127.7 13.9 -12.3 -9.4 52 52 A D - 0 0 74 3,-0.9 4,-0.1 -2,-0.5 -1,-0.0 0.065 45.0-110.5-108.1-141.3 15.8 -15.6 -9.1 53 53 A K S S+ 0 0 127 2,-0.1 3,-0.1 -2,-0.1 -28,-0.0 0.314 113.5 32.7-138.8 -7.6 16.4 -18.0 -6.2 54 54 A R S S+ 0 0 144 1,-0.5 -36,-1.1 -38,-0.1 2,-0.3 0.579 130.7 6.6-121.2 -32.3 20.1 -17.4 -5.8 55 55 A E E -C 17 0A 77 -38,-0.2 -3,-0.9 -34,-0.1 -1,-0.5 -0.988 60.8-160.6-152.6 154.7 20.3 -13.7 -6.7 56 56 A I E -CE 16 51A 5 -40,-1.4 -40,-2.6 -2,-0.3 2,-0.3 -0.996 9.5-141.2-142.0 145.7 18.1 -10.8 -7.6 57 57 A S E -CE 15 50A 23 -7,-2.1 -8,-2.1 -2,-0.3 -7,-1.1 -0.814 12.3-167.7-109.3 147.9 18.4 -7.4 -9.3 58 58 A C E -CE 14 48A 0 -44,-2.4 -44,-2.2 -2,-0.3 2,-0.5 -0.968 15.9-133.8-131.3 145.6 16.7 -4.1 -8.4 59 59 A E E -CE 13 47A 36 -12,-2.2 -12,-1.1 -2,-0.4 2,-0.7 -0.864 21.9-121.2-105.5 134.1 16.5 -0.9 -10.4 60 60 A I E + E 0 46A 23 -48,-2.1 -14,-0.2 -2,-0.5 3,-0.1 -0.573 35.8 167.2 -73.5 109.5 17.3 2.5 -8.9 61 61 A V E + 0 0 54 -16,-2.3 2,-0.3 -2,-0.7 -1,-0.2 0.720 67.2 1.0 -93.3 -23.9 14.2 4.7 -9.2 62 62 A E E - E 0 45A 110 -17,-1.1 -17,-1.9 2,-0.0 2,-1.1 -0.939 65.7-113.9-168.1 140.8 15.4 7.4 -6.8 63 63 A E E - E 0 44A 145 -2,-0.3 -19,-0.2 -19,-0.2 2,-0.2 -0.650 45.4-140.3 -75.4 103.2 18.3 8.4 -4.5 64 64 A L E - E 0 43A 54 -21,-1.3 -21,-0.6 -2,-1.1 2,-0.5 -0.453 16.0-111.3 -71.4 137.4 16.6 8.1 -1.2 65 65 A E - 0 0 185 -2,-0.2 2,-0.5 -23,-0.1 -1,-0.1 -0.557 38.3-169.3 -70.4 118.8 17.4 10.8 1.4 66 66 A T - 0 0 41 -2,-0.5 2,-0.1 70,-0.0 70,-0.1 -0.948 7.7-148.7-116.8 120.8 19.4 9.2 4.2 67 67 A K - 0 0 108 -2,-0.5 0, 0.0 373,-0.2 0, 0.0 -0.449 8.5-143.4 -85.8 160.3 20.1 11.0 7.4 68 68 A L - 0 0 109 -2,-0.1 -1,-0.0 69,-0.1 3,-0.0 -0.664 35.0 -81.1-113.8 170.2 23.2 10.5 9.5 69 69 A P - 0 0 19 0, 0.0 28,-0.1 0, 0.0 27,-0.0 -0.602 30.5-140.8 -76.3 126.9 23.6 10.5 13.3 70 70 A P S S+ 0 0 60 0, 0.0 2,-0.4 0, 0.0 157,-0.1 0.809 88.1 41.7 -56.3 -26.2 23.8 14.1 14.7 71 71 A K S S- 0 0 5 26,-0.1 2,-1.1 156,-0.0 28,-0.2 -0.938 77.0-133.6-125.5 146.4 26.5 12.8 17.2 72 72 A D E -f 179 0B 68 106,-2.7 108,-1.9 -2,-0.4 2,-0.3 -0.747 35.1-179.1 -96.5 88.9 29.5 10.5 16.8 73 73 A I E -f 180 0B 0 -2,-1.1 27,-2.4 24,-0.4 2,-0.6 -0.697 19.8-161.6 -93.6 141.3 29.2 8.2 19.8 74 74 A T E -fg 181 100B 18 106,-2.0 108,-1.7 -2,-0.3 2,-0.7 -0.897 15.4-153.7-119.0 96.2 31.7 5.5 20.5 75 75 A L E -fg 182 101B 0 25,-2.4 27,-2.6 -2,-0.6 2,-1.0 -0.637 3.4-160.1 -78.5 113.4 30.0 3.1 23.0 76 76 A Y E -fg 183 102B 29 106,-3.1 108,-1.9 -2,-0.7 2,-0.4 -0.792 18.1-168.8 -94.5 94.2 32.6 1.3 25.1 77 77 A Q E -fg 184 103B 0 25,-1.3 27,-3.3 -2,-1.0 2,-0.8 -0.725 23.0-134.1 -94.0 129.1 30.6 -1.8 26.3 78 78 A S E - g 0 104B 0 106,-1.9 27,-0.2 -2,-0.4 109,-0.1 -0.712 41.7-109.1 -78.9 113.1 31.8 -4.1 29.1 79 79 A V - 0 0 3 25,-1.9 31,-3.3 -2,-0.8 27,-0.2 -0.219 34.3-123.8 -48.1 112.7 31.1 -7.5 27.5 80 80 A T - 0 0 0 29,-0.2 6,-0.1 2,-0.2 29,-0.1 -0.189 12.2-123.9 -56.6 149.8 28.2 -9.0 29.5 81 81 A V S S+ 0 0 88 1,-0.2 2,-1.0 27,-0.2 -1,-0.1 0.829 110.2 59.8 -65.3 -30.6 28.8 -12.4 31.0 82 82 A D S >> S- 0 0 87 1,-0.1 3,-2.3 28,-0.1 4,-0.5 -0.816 80.3-162.4 -97.4 89.3 25.8 -13.6 29.0 83 83 A L H >> S+ 0 0 31 -2,-1.0 3,-0.9 1,-0.3 4,-0.5 0.687 81.8 69.8 -48.8 -25.8 26.9 -12.8 25.5 84 84 A K H >> S+ 0 0 143 1,-0.3 3,-1.4 2,-0.2 4,-1.1 0.850 90.8 61.9 -63.1 -32.3 23.4 -13.0 24.0 85 85 A T H <> S+ 0 0 24 -3,-2.3 4,-2.0 1,-0.3 -1,-0.3 0.823 97.8 58.0 -59.7 -31.7 22.7 -9.8 25.9 86 86 A M H S+ 0 0 0 -4,-1.7 5,-2.4 -5,-0.4 4,-0.8 0.937 110.7 51.9 -52.0 -39.7 23.3 0.6 19.5 94 94 A T H ><5S+ 0 0 0 -4,-2.0 3,-1.0 -3,-0.3 -2,-0.2 0.931 108.0 44.4 -62.7 -53.9 22.9 0.4 15.7 95 95 A E H 3<5S+ 0 0 5 -4,-1.8 346,-0.3 1,-0.2 -1,-0.2 0.900 110.8 57.9 -60.9 -36.1 19.3 1.6 15.4 96 96 A L H 3<5S- 0 0 3 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.704 120.8-107.5 -65.9 -21.3 20.0 4.4 17.8 97 97 A G T <<5 + 0 0 0 -3,-1.0 2,-0.4 -4,-0.8 -24,-0.4 0.704 53.9 167.7 102.6 23.3 22.8 5.7 15.6 98 98 A V < - 0 0 0 -5,-2.4 -1,-0.2 -6,-0.2 -24,-0.1 -0.573 22.2-159.6 -73.8 124.3 26.0 4.8 17.4 99 99 A L S S+ 0 0 42 -26,-0.6 42,-2.0 -2,-0.4 2,-0.4 0.885 72.2 29.1 -71.2 -38.4 29.0 5.3 15.1 100 100 A T E -gh 74 141B 21 -27,-2.4 -25,-2.4 40,-0.2 2,-0.5 -0.975 56.8-166.4-134.1 139.5 31.4 3.0 17.0 101 101 A F E -gh 75 142B 0 40,-3.3 42,-2.7 -2,-0.4 -25,-0.2 -0.964 10.8-179.9-124.1 117.2 31.1 -0.1 19.3 102 102 A V E -g 76 0B 6 -27,-2.6 -25,-1.3 -2,-0.5 2,-0.2 -0.950 20.3-141.1-121.1 113.3 34.1 -1.2 21.4 103 103 A P E -g 77 0B 0 0, 0.0 43,-2.4 0, 0.0 2,-0.4 -0.521 21.8-158.0 -72.9 140.5 33.9 -4.3 23.6 104 104 A I E -gi 78 146B 0 -27,-3.3 -25,-1.9 41,-0.2 2,-0.6 -0.910 13.1-139.9-120.2 145.5 35.7 -3.8 26.9 105 105 A I E + i 0 147B 15 41,-1.6 43,-2.5 -2,-0.4 44,-0.4 -0.931 32.6 170.7-106.1 118.4 37.1 -6.3 29.4 106 106 A S > - 0 0 5 -2,-0.6 3,-1.3 4,-0.3 84,-0.0 -0.728 51.7 -89.1-120.3 171.9 36.5 -5.3 33.0 107 107 A E T 3 S+ 0 0 99 1,-0.3 83,-0.1 -2,-0.2 -1,-0.0 0.844 128.5 28.1 -48.0 -38.2 36.9 -7.0 36.3 108 108 A R T 3 S+ 0 0 88 81,-0.3 80,-0.4 2,-0.0 -1,-0.3 0.297 100.7 100.4-110.5 8.5 33.4 -8.4 36.0 109 109 A S S < S- 0 0 4 -3,-1.3 -29,-0.2 1,-0.2 -4,-0.1 -0.314 92.6 -67.3 -87.8 174.0 32.8 -8.7 32.3 110 110 A F - 0 0 46 -31,-3.3 -4,-0.3 1,-0.1 -1,-0.2 -0.375 53.1-157.7 -54.9 141.2 33.1 -11.8 30.1 111 111 A Q + 0 0 102 -6,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.852 56.3 93.8 -97.8 -39.1 36.8 -12.6 30.3 112 112 A K > - 0 0 111 1,-0.1 4,-0.5 2,-0.1 -2,-0.0 -0.341 50.1-167.1 -59.6 128.3 37.7 -14.7 27.2 113 113 A E H >> S+ 0 0 81 2,-0.2 4,-2.6 1,-0.1 3,-0.9 0.932 82.1 55.1 -83.8 -49.4 39.0 -12.6 24.3 114 114 A E H 3> S+ 0 0 97 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.889 106.3 53.7 -52.4 -41.2 38.9 -15.1 21.5 115 115 A A H 3> S+ 0 0 21 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.844 110.3 48.5 -61.9 -32.2 35.2 -15.8 22.2 116 116 A I H << S+ 0 0 3 -3,-0.9 4,-0.5 -4,-0.5 -2,-0.2 0.890 111.8 48.2 -73.4 -41.5 34.7 -12.1 21.9 117 117 A L H >< S+ 0 0 60 -4,-2.6 3,-1.2 1,-0.2 4,-0.5 0.915 111.8 49.1 -64.5 -43.8 36.7 -11.9 18.6 118 118 A K H 3< S+ 0 0 135 -4,-3.2 4,-0.4 1,-0.3 3,-0.3 0.771 103.4 62.0 -68.9 -24.1 34.8 -14.8 17.2 119 119 A K T 3X S+ 0 0 54 -4,-1.0 4,-1.9 -5,-0.3 3,-0.5 0.662 84.8 81.6 -75.3 -13.9 31.5 -13.2 18.2 120 120 A T H <> S+ 0 0 25 -3,-1.2 4,-3.2 -4,-0.5 3,-0.4 0.947 81.0 59.4 -55.3 -55.6 32.3 -10.3 15.9 121 121 A E H > S+ 0 0 108 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.840 112.9 41.2 -43.6 -39.1 31.1 -11.9 12.7 122 122 A K H > S+ 0 0 73 -3,-0.5 4,-1.9 -4,-0.4 -1,-0.3 0.815 109.2 57.8 -81.1 -31.4 27.7 -12.2 14.3 123 123 A W H X S+ 0 0 4 -4,-1.9 4,-1.5 -3,-0.4 -2,-0.2 0.956 110.0 48.0 -58.7 -47.3 28.0 -8.7 15.8 124 124 A K H X S+ 0 0 96 -4,-3.2 4,-2.0 1,-0.2 3,-0.2 0.914 108.4 49.1 -59.3 -53.7 28.4 -7.5 12.3 125 125 A R H X S+ 0 0 124 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.868 109.5 54.7 -57.6 -37.3 25.5 -9.4 10.6 126 126 A I H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.872 103.6 55.3 -64.2 -37.9 23.2 -8.2 13.3 127 127 A V H X S+ 0 0 4 -4,-1.5 4,-2.8 -3,-0.2 3,-0.4 0.977 107.7 49.8 -57.3 -53.4 24.3 -4.6 12.5 128 128 A I H X S+ 0 0 33 -4,-2.0 4,-0.8 1,-0.3 -2,-0.2 0.921 109.0 50.4 -48.6 -54.2 23.2 -5.2 8.9 129 129 A E H X S+ 0 0 68 -4,-2.3 4,-1.4 1,-0.2 3,-0.3 0.866 114.3 48.0 -53.3 -37.2 19.8 -6.6 10.0 130 130 A A H X S+ 0 0 4 -4,-2.1 4,-2.8 -3,-0.4 5,-0.3 0.875 104.5 54.4 -74.8 -41.1 19.5 -3.5 12.1 131 131 A M H <>S+ 0 0 9 -4,-2.8 5,-1.2 1,-0.2 -1,-0.2 0.592 107.8 56.9 -72.4 -3.1 20.5 -0.9 9.5 132 132 A K H <5S+ 0 0 14 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.904 115.7 29.9 -89.0 -48.8 17.7 -2.4 7.3 133 133 A Q H <5S+ 0 0 86 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.897 125.9 47.6 -76.0 -38.1 14.8 -2.0 9.6 134 134 A S T <5S- 0 0 3 -4,-2.8 308,-1.5 -5,-0.2 -1,-0.2 0.758 104.9-135.5 -71.0 -23.7 16.3 1.1 11.1 135 135 A R T 5 + 0 0 58 -5,-0.3 -3,-0.2 1,-0.3 -4,-0.2 0.943 40.9 169.5 64.3 46.7 17.0 2.3 7.6 136 136 A R < - 0 0 0 -5,-1.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.858 25.7-157.8 -95.6 115.0 20.5 3.3 8.7 137 137 A P S S+ 0 0 1 0, 0.0 -96,-0.6 0, 0.0 -1,-0.1 0.832 74.2 43.0 -58.3 -43.3 22.5 4.2 5.6 138 138 A I S S- 0 0 45 -98,-0.1 2,-0.1 1,-0.1 -100,-0.0 -0.714 86.0-112.5-107.9 158.4 25.9 3.6 7.1 139 139 A P - 0 0 61 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.298 19.8-115.3 -86.2 172.3 27.2 0.8 9.4 140 140 A M - 0 0 6 -16,-0.1 2,-0.4 -2,-0.1 -40,-0.2 -0.940 33.1-130.6-103.6 121.0 28.3 0.7 13.1 141 141 A E E -h 100 0B 107 -42,-2.0 -40,-3.3 -2,-0.6 2,-0.5 -0.607 17.6-157.5 -76.4 127.2 32.0 -0.2 13.3 142 142 A I E -h 101 0B 17 -2,-0.4 -40,-0.2 -42,-0.2 2,-0.2 -0.915 17.7-158.2-102.5 126.9 32.6 -3.0 15.8 143 143 A K - 0 0 98 -42,-2.7 3,-0.1 -2,-0.5 -43,-0.0 -0.551 24.8 -82.9-109.5 171.4 36.2 -3.1 17.1 144 144 A K - 0 0 151 -2,-0.2 -1,-0.1 1,-0.1 -27,-0.0 -0.398 63.1 -92.8 -62.9 142.4 38.8 -5.4 18.7 145 145 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -41,-0.2 -0.238 42.0-162.4 -61.3 144.9 38.3 -5.6 22.4 146 146 A V E -i 104 0B 46 -43,-2.4 -41,-1.6 -3,-0.1 2,-0.2 -0.953 23.8-106.2-127.4 148.7 40.2 -3.3 24.7 147 147 A R E > -i 105 0B 93 -2,-0.3 3,-1.9 -43,-0.2 4,-0.3 -0.493 19.9-131.3 -73.9 141.0 40.9 -3.6 28.4 148 148 A L G > S+ 0 0 5 -43,-2.5 3,-1.2 1,-0.3 -1,-0.1 0.812 108.0 63.5 -61.3 -29.8 39.0 -1.2 30.7 149 149 A S G 3 S+ 0 0 86 -44,-0.4 -1,-0.3 1,-0.2 -43,-0.1 0.608 101.1 53.7 -71.1 -9.3 42.3 -0.4 32.3 150 150 A D G < S+ 0 0 114 -3,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.444 78.6 120.2-104.1 -1.7 43.5 1.1 29.0 151 151 A L < - 0 0 8 -3,-1.2 50,-0.0 -4,-0.3 -3,-0.0 -0.365 37.6-174.7 -68.4 144.0 40.7 3.5 28.3 152 152 A I - 0 0 92 -2,-0.1 2,-0.4 50,-0.0 50,-0.1 -0.988 33.2-110.1-133.8 138.9 41.6 7.2 27.9 153 153 A P + 0 0 36 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.612 52.3 151.1 -73.0 126.8 39.0 9.9 27.5 154 154 A E + 0 0 142 -2,-0.4 4,-0.1 3,-0.1 25,-0.0 0.551 36.2 90.3-131.2 -17.1 39.3 11.2 23.9 155 155 A S S S- 0 0 22 2,-0.1 25,-0.2 1,-0.1 3,-0.1 -0.202 92.3 -97.9 -77.7 173.3 35.9 12.4 22.7 156 156 A E S S+ 0 0 117 23,-0.4 2,-0.3 1,-0.2 24,-0.2 0.922 116.7 15.7 -56.1 -40.5 34.7 16.0 23.1 157 157 A E E S-j 180 0B 16 22,-1.4 24,-1.5 16,-0.0 2,-0.4 -0.978 77.1-156.5-133.4 144.0 32.9 14.7 26.2 158 158 A N E -j 181 0B 14 -2,-0.3 46,-3.1 44,-0.2 2,-0.3 -0.976 11.1-174.5-131.4 123.9 33.5 11.5 28.0 159 159 A I E -jk 182 204B 0 22,-3.3 24,-2.5 -2,-0.4 2,-0.4 -0.831 15.0-164.9-117.8 151.2 31.0 9.6 30.2 160 160 A I E -jk 183 205B 0 44,-2.2 46,-1.9 -2,-0.3 2,-0.6 -0.983 22.3-138.1-131.8 118.2 31.0 6.5 32.4 161 161 A L E + k 0 206B 1 22,-2.7 24,-0.5 -2,-0.4 2,-0.4 -0.696 33.5 167.0 -80.8 121.3 27.6 5.2 33.4 162 162 A D - 0 0 1 44,-2.1 5,-0.4 -2,-0.6 46,-0.1 -0.985 29.9-177.1-139.9 128.3 27.7 4.2 37.0 163 163 A N S S+ 0 0 26 -2,-0.4 -1,-0.1 1,-0.1 44,-0.1 0.700 88.0 59.5 -90.7 -22.9 24.9 3.4 39.4 164 164 A F S S+ 0 0 73 26,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.810 96.0 68.2 -75.8 -32.0 27.2 3.0 42.4 165 165 A Y S S- 0 0 107 41,-0.1 2,-2.0 1,-0.1 -3,-0.1 -0.647 84.9-123.4 -92.8 146.8 28.6 6.5 42.3 166 166 A E + 0 0 174 -2,-0.3 -3,-0.1 41,-0.0 41,-0.1 -0.539 57.5 159.3 -86.0 73.7 26.6 9.6 43.1 167 167 A G - 0 0 19 -2,-2.0 39,-0.2 -5,-0.4 2,-0.2 0.063 40.5 -77.5 -83.9-165.8 27.3 11.2 39.8 168 168 A V B -l 206 0B 51 37,-2.2 39,-2.5 1,-0.1 -1,-0.2 -0.487 43.0-106.8 -93.1 164.2 25.7 14.0 37.7 169 169 A K - 0 0 77 37,-0.2 4,-0.5 -2,-0.2 3,-0.4 -0.354 36.1-106.4 -80.2 169.3 22.6 13.7 35.5 170 170 A P S > S+ 0 0 1 0, 0.0 3,-2.7 0, 0.0 5,-0.2 0.950 119.7 64.5 -62.7 -44.0 23.1 13.7 31.8 171 171 A K T 3 S+ 0 0 130 287,-0.3 4,-0.3 1,-0.3 288,-0.0 0.835 97.8 56.7 -42.9 -39.9 21.8 17.3 31.6 172 172 A D T 3 S+ 0 0 98 -3,-0.4 -1,-0.3 2,-0.1 2,-0.1 0.680 95.0 79.2 -70.9 -19.2 24.8 18.3 33.6 173 173 A V S < S- 0 0 6 -3,-2.7 2,-2.0 -4,-0.5 3,-0.0 -0.412 106.1 -84.6 -84.1 164.0 27.3 16.9 31.1 174 174 A N > + 0 0 78 1,-0.2 3,-1.5 -2,-0.1 -2,-0.1 -0.474 49.6 173.5 -75.1 83.2 28.1 18.7 27.9 175 175 A L T 3 S+ 0 0 17 -2,-2.0 -1,-0.2 -4,-0.3 54,-0.1 0.445 71.3 71.8 -66.7 -1.3 25.2 17.6 25.7 176 176 A E T 3 S+ 0 0 143 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.193 72.9 116.3 -99.5 12.9 26.4 20.1 23.1 177 177 A A < - 0 0 0 -3,-1.5 3,-0.1 1,-0.1 -22,-0.0 -0.401 57.4-150.1 -78.6 158.8 29.4 17.9 22.2 178 178 A K S S+ 0 0 111 1,-0.3 -106,-2.7 -107,-0.1 2,-0.4 0.673 81.8 37.7-102.6 -22.9 29.8 16.4 18.7 179 179 A T E S-f 72 0B 39 -108,-0.2 -22,-1.4 2,-0.0 -23,-0.4 -0.987 71.0-172.1-130.1 143.5 31.7 13.3 19.7 180 180 A Y E -fj 73 157B 0 -108,-1.9 -106,-2.0 -2,-0.4 2,-0.4 -0.959 19.6-153.9-137.6 151.6 31.2 11.2 22.8 181 181 A S E -fj 74 158B 1 -24,-1.5 -22,-3.3 -2,-0.3 2,-0.4 -0.988 20.5-174.4-121.0 128.8 32.8 8.3 24.6 182 182 A V E -fj 75 159B 0 -108,-1.7 -106,-3.1 -2,-0.4 2,-0.6 -0.963 8.0-164.2-134.0 117.2 30.4 6.3 26.7 183 183 A V E -fj 76 160B 0 -24,-2.5 -22,-2.7 -2,-0.4 2,-0.4 -0.892 9.3-177.9-105.9 117.8 31.5 3.5 29.0 184 184 A V E -f 77 0B 0 -108,-1.9 -106,-1.9 -2,-0.6 -22,-0.1 -0.902 17.9-133.1-114.4 140.0 28.9 1.1 30.3 185 185 A G - 0 0 0 -24,-0.5 5,-0.1 -2,-0.4 -105,-0.1 -0.383 20.8-101.9 -90.0 171.1 29.6 -1.8 32.7 186 186 A P > - 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.056 51.3 -77.3 -78.8-176.8 28.5 -5.5 32.7 187 187 A E T 3 S+ 0 0 63 1,-0.3 -78,-0.1 -79,-0.1 -2,-0.1 0.898 134.2 48.2 -48.1 -48.1 25.8 -7.2 34.7 188 188 A G T 3 S- 0 0 31 -80,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.697 107.5-141.7 -68.7 -21.7 28.0 -7.2 37.8 189 189 A G < - 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