==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSCRIPTION 18-APR-10 3MLQ . COMPND 2 MOLECULE: DNA-DIRECTED RNA POLYMERASE SUBUNIT BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR S.A.DARST,L.F.WESTBLADE,E.A.CAMPBELL . 883 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 648 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 219 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 106 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 4 0 2 3 0 3 0 1 4 2 1 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 6 9 3 2 2 1 0 5 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 0 0 4 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 17 A P 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.5 142.9 13.7 55.9 2 18 A L > + 0 0 119 3,-0.1 4,-4.2 2,-0.1 5,-0.3 0.661 360.0 58.0-121.2 -53.9 141.6 14.6 59.3 3 19 A T H > S+ 0 0 59 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.891 110.1 48.1 -44.2 -48.6 138.6 16.9 58.8 4 20 A E H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.914 115.5 43.0 -65.3 -44.1 137.0 14.1 56.8 5 21 A I H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.953 119.6 45.1 -60.3 -50.4 137.8 11.5 59.5 6 22 A Q H X S+ 0 0 19 -4,-4.2 4,-2.1 2,-0.2 5,-0.2 0.850 111.0 51.8 -63.7 -42.8 136.7 14.0 62.2 7 23 A V H X S+ 0 0 33 -4,-3.4 4,-2.8 -5,-0.3 5,-0.2 0.985 112.4 44.1 -59.0 -60.2 133.5 15.2 60.4 8 24 A E H X S+ 0 0 107 -4,-1.7 4,-1.9 -5,-0.2 5,-0.3 0.924 110.1 58.9 -52.1 -47.7 132.1 11.7 59.8 9 25 A S H >X S+ 0 0 21 -4,-2.3 4,-1.2 2,-0.2 3,-0.8 0.918 110.6 39.0 -45.3 -60.8 133.1 10.8 63.4 10 26 A Y H >X S+ 0 0 4 -4,-2.1 4,-1.5 1,-0.2 3,-0.6 0.913 113.3 58.9 -56.0 -43.4 130.9 13.5 65.0 11 27 A K H 3X S+ 0 0 108 -4,-2.8 4,-1.0 1,-0.3 5,-0.5 0.746 108.5 43.8 -60.0 -28.4 128.3 12.7 62.4 12 28 A K H << S+ 0 0 114 -4,-1.9 -1,-0.3 -3,-0.8 -2,-0.2 0.615 105.6 62.5 -89.3 -19.4 128.2 9.1 63.6 13 29 A A H << S+ 0 0 6 -4,-1.2 15,-1.8 -3,-0.6 16,-0.4 0.785 114.7 33.4 -72.3 -29.9 128.1 10.2 67.3 14 30 A L H < S- 0 0 3 -4,-1.5 -2,-0.2 13,-0.1 -1,-0.1 0.731 79.2-162.1 -94.2 -30.2 124.8 12.0 66.6 15 31 A Q >< + 0 0 18 -4,-1.0 3,-1.8 -5,-0.2 -3,-0.1 0.868 28.9 168.9 44.7 41.9 123.3 9.7 64.0 16 32 A A T 3 + 0 0 14 -5,-0.5 41,-0.4 1,-0.3 -1,-0.1 0.674 65.8 32.9 -67.8 -28.8 121.2 12.8 63.4 17 33 A D T 3 S+ 0 0 109 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.012 95.1 110.1-112.9 26.2 119.4 11.8 60.2 18 34 A V S < S- 0 0 36 -3,-1.8 5,-0.1 -4,-0.1 0, 0.0 -0.895 78.7-108.9-103.7 125.6 119.2 8.1 61.0 19 35 A P > - 0 0 72 0, 0.0 3,-2.9 0, 0.0 -2,-0.1 -0.315 35.9-112.0 -55.7 130.4 115.8 6.5 61.8 20 36 A P G > S+ 0 0 25 0, 0.0 3,-0.6 0, 0.0 -2,-0.0 0.655 114.6 43.5 -34.7 -41.2 115.7 5.7 65.5 21 37 A E G 3 S+ 0 0 175 1,-0.2 33,-0.0 33,-0.0 -3,-0.0 0.579 107.0 59.3 -90.7 -9.4 115.6 1.9 65.1 22 38 A K G < S+ 0 0 155 -3,-2.9 2,-0.5 2,-0.1 -1,-0.2 0.031 86.7 118.8 -95.3 24.5 118.3 1.8 62.4 23 39 A R < - 0 0 23 -3,-0.6 2,-0.1 -5,-0.1 -8,-0.0 -0.791 58.7-138.3-102.4 128.9 120.6 3.5 65.0 24 40 A E - 0 0 141 -2,-0.5 2,-2.1 -12,-0.1 6,-0.2 -0.424 31.5 -97.6 -82.7 157.6 123.7 1.8 66.2 25 41 A N S S+ 0 0 87 4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.500 81.5 118.0 -74.3 77.2 124.9 1.8 69.9 26 42 A V >> - 0 0 48 -2,-2.1 3,-1.2 -14,-0.1 4,-0.8 -0.954 66.1 -22.1-144.2 158.7 127.2 4.7 69.6 27 43 A G H 3> S+ 0 0 9 -2,-0.3 4,-2.7 1,-0.3 -13,-0.1 -0.088 129.5 0.8 44.8-126.5 127.8 8.2 71.0 28 44 A I H 3> S+ 0 0 0 -15,-1.8 4,-3.9 2,-0.2 -1,-0.3 0.891 130.6 60.8 -55.1 -47.1 124.6 9.6 72.4 29 45 A Q H <> S+ 0 0 15 -3,-1.2 4,-3.4 -16,-0.4 5,-0.3 0.935 111.2 39.1 -53.0 -56.5 122.6 6.5 71.6 30 46 A A H X S+ 0 0 6 -4,-0.8 4,-3.5 2,-0.2 5,-0.5 0.988 113.6 56.6 -49.7 -64.2 124.7 4.4 73.8 31 47 A A H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.841 116.3 36.5 -34.5 -55.2 124.9 7.3 76.3 32 48 A F H X S+ 0 0 1 -4,-3.9 4,-1.3 2,-0.2 -1,-0.2 0.966 118.6 46.5 -65.4 -57.7 121.1 7.3 76.5 33 49 A K H < S+ 0 0 92 -4,-3.4 -2,-0.2 -5,-0.3 -1,-0.2 0.830 117.6 44.8 -59.0 -32.9 120.3 3.6 76.2 34 50 A E H < S+ 0 0 120 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.934 114.0 46.5 -77.1 -47.6 123.0 2.8 78.8 35 51 A T H < S+ 0 0 38 -4,-2.1 -2,-0.2 -5,-0.5 -1,-0.2 0.575 100.0 105.0 -72.8 -9.7 122.1 5.5 81.4 36 52 A F < + 0 0 10 -4,-1.3 16,-0.4 -5,-0.1 2,-0.2 -0.927 40.4 59.5-125.0 104.8 118.4 4.8 81.2 37 53 A P - 0 0 75 0, 0.0 2,-0.6 0, 0.0 14,-0.2 -0.241 56.9-166.9-128.7 150.8 116.2 3.4 83.0 38 54 A I E -A 50 0A 2 12,-1.8 12,-1.4 -2,-0.2 2,-0.4 -0.927 15.6-177.9-108.5 110.5 116.0 5.3 86.3 39 55 A E E -A 49 0A 87 -2,-0.6 2,-0.6 10,-0.2 10,-0.2 -0.883 24.6-173.9-112.7 136.9 114.0 3.3 88.9 40 56 A E E +A 48 0A 53 8,-2.3 8,-0.5 -2,-0.4 3,-0.2 -0.927 18.7 158.8-120.8 106.4 113.1 4.0 92.3 41 57 A G + 0 0 28 -2,-0.6 2,-0.3 6,-0.2 -1,-0.2 0.949 39.5 116.7 -63.7 -39.7 111.4 0.9 93.6 42 58 A D + 0 0 81 -3,-0.1 -1,-0.2 5,-0.1 5,-0.1 0.052 52.1 73.3 -61.3 -36.0 112.1 1.9 96.9 43 59 A K S S- 0 0 121 -2,-0.3 -3,-0.0 -3,-0.2 0, 0.0 -0.426 99.9-113.1 -61.9 143.7 108.6 2.3 98.1 44 60 A G S S+ 0 0 89 1,-0.2 2,-0.6 -2,-0.0 -1,-0.1 0.937 105.2 40.2 -58.7 -47.0 107.4 -1.2 98.5 45 61 A K S S- 0 0 67 43,-0.0 2,-0.9 -3,-0.0 -1,-0.2 -0.881 125.2 -44.0 -98.9 119.3 105.0 -1.0 95.7 46 62 A G + 0 0 11 -2,-0.6 2,-0.1 41,-0.1 -6,-0.1 -0.569 46.8 175.1 88.5-102.8 106.1 0.9 92.7 47 63 A G - 0 0 10 -2,-0.9 40,-0.8 -5,-0.1 41,-0.5 -0.465 60.6 -63.5 58.9-155.7 107.8 4.2 92.8 48 64 A L E -AB 40 86A 2 -8,-0.5 -8,-2.3 38,-0.2 2,-0.4 -0.850 30.4-151.7-126.4 156.1 108.6 4.8 89.1 49 65 A V E -AB 39 85A 23 36,-1.6 36,-3.4 -2,-0.3 2,-0.6 -0.999 15.3-165.8-116.1 124.4 110.5 3.5 86.2 50 66 A L E -AB 38 84A 1 -12,-1.4 -12,-1.8 -2,-0.4 2,-0.3 -0.957 15.4-173.0-110.9 112.7 111.5 6.2 83.6 51 67 A D E - B 0 83A 56 32,-1.8 32,-1.1 -2,-0.6 2,-0.4 -0.729 21.7-124.4-111.1 156.6 112.6 4.6 80.3 52 68 A F E + B 0 82A 15 -16,-0.4 30,-0.2 -2,-0.3 3,-0.1 -0.800 27.9 168.7 -96.0 138.1 114.2 5.9 77.2 53 69 A L E - 0 0 70 28,-1.4 2,-0.3 1,-0.5 -1,-0.2 0.733 60.1 -35.0-110.6 -61.2 112.5 5.2 73.8 54 70 A E E - B 0 81A 21 27,-0.6 27,-2.7 -22,-0.0 -1,-0.5 -0.949 46.8-127.1-153.4 168.9 114.2 7.5 71.3 55 71 A Y E - B 0 80A 0 -2,-0.3 2,-0.5 25,-0.2 25,-0.2 -0.984 15.7-151.5-124.3 145.2 115.9 10.8 70.7 56 72 A R E - B 0 79A 21 23,-2.6 23,-2.8 -2,-0.4 2,-0.6 -0.949 0.7-158.2-111.9 127.0 115.1 13.4 68.0 57 73 A I E - B 0 78A 7 -2,-0.5 21,-0.2 -41,-0.4 44,-0.1 -0.938 21.6-135.6-100.0 122.6 117.7 15.8 66.6 58 74 A G - 0 0 1 19,-3.9 188,-0.2 -2,-0.6 18,-0.1 -0.138 22.8-109.2 -60.6 169.2 116.0 18.8 65.1 59 75 A D - 0 0 56 186,-1.2 -1,-0.1 17,-0.1 16,-0.1 -0.799 45.6 -81.6-103.7 152.9 117.2 20.0 61.8 60 76 A P - 0 0 41 0, 0.0 16,-0.1 0, 0.0 183,-0.1 -0.295 28.6-159.5 -64.7 127.3 119.2 23.3 61.5 61 77 A P S S+ 0 0 17 0, 0.0 182,-2.7 0, 0.0 2,-0.4 0.716 82.5 38.2 -73.5 -26.2 117.1 26.5 61.3 62 78 A F S S- 0 0 12 180,-0.2 2,-0.1 13,-0.2 180,-0.1 -0.985 82.7-129.7-127.0 140.3 119.9 28.5 59.8 63 79 A S > - 0 0 51 -2,-0.4 4,-3.2 1,-0.1 5,-0.2 -0.350 33.5-102.5 -80.0 167.3 122.4 27.3 57.2 64 80 A Q H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.872 124.6 50.4 -57.8 -40.2 126.2 27.7 57.6 65 81 A D H > S+ 0 0 104 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.969 112.5 45.0 -60.8 -56.0 126.1 30.7 55.1 66 82 A E H > S+ 0 0 76 1,-0.2 4,-3.3 2,-0.2 3,-0.4 0.897 113.3 53.6 -52.4 -43.4 123.2 32.3 57.1 67 83 A C H <>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.2 -1,-0.2 0.808 109.5 45.0 -65.3 -36.2 125.1 31.6 60.3 68 84 A R H <5S+ 0 0 83 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.647 122.2 37.9 -82.8 -17.6 128.4 33.2 59.2 69 85 A E H <5S+ 0 0 143 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.2 0.839 121.3 40.9 -95.8 -49.3 126.6 36.3 57.9 70 86 A K T <5S- 0 0 22 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.390 109.0-122.3 -82.6 3.8 123.8 36.7 60.4 71 87 A D T 5 + 0 0 30 -5,-0.2 2,-0.3 -4,-0.2 209,-0.2 0.968 61.5 140.8 52.0 64.6 126.3 35.9 63.2 72 88 A L < - 0 0 3 -5,-2.2 43,-2.1 -8,-0.1 2,-0.3 -0.839 55.1 -98.9-129.5 166.0 124.3 32.9 64.6 73 89 A T - 0 0 17 -2,-0.3 2,-1.2 41,-0.2 40,-0.3 -0.693 26.4-133.2 -89.5 140.9 125.2 29.5 66.0 74 90 A Y + 0 0 31 38,-3.3 30,-3.1 -2,-0.3 2,-0.3 -0.680 54.6 135.4 -97.5 83.3 124.8 26.4 63.8 75 91 A Q E - C 0 103A 41 -2,-1.2 -13,-0.2 28,-0.3 -16,-0.1 -0.978 45.4-145.8-140.5 141.4 122.9 24.0 66.0 76 92 A A E - C 0 102A 0 26,-2.2 26,-2.8 -2,-0.3 2,-0.2 -0.809 32.5-112.9-102.0 146.2 120.0 21.6 66.0 77 93 A P E - C 0 101A 13 0, 0.0 -19,-3.9 0, 0.0 2,-0.5 -0.502 24.6-139.0 -79.3 148.7 117.7 21.1 69.1 78 94 A L E +BC 57 100A 1 22,-3.4 21,-2.9 -21,-0.2 22,-0.5 -0.937 21.7 178.2-114.9 125.1 117.8 17.8 71.0 79 95 A Y E -BC 56 98A 36 -23,-2.8 -23,-2.6 -2,-0.5 2,-0.4 -0.916 12.4-154.8-122.0 149.9 114.6 16.1 72.3 80 96 A A E -BC 55 97A 0 17,-2.4 17,-3.3 -2,-0.3 2,-1.1 -0.991 16.1-134.8-127.4 132.0 114.1 12.8 74.1 81 97 A R E -BC 54 96A 44 -27,-2.7 -28,-1.4 -2,-0.4 -27,-0.6 -0.716 36.8-177.7 -85.1 98.3 110.9 10.7 74.2 82 98 A L E -BC 52 95A 3 13,-3.0 13,-1.8 -2,-1.1 2,-0.3 -0.617 12.6-162.3-104.1 162.9 110.6 9.8 77.9 83 99 A Q E -BC 51 94A 8 -32,-1.1 -32,-1.8 11,-0.2 2,-0.6 -0.988 9.0-149.3-152.8 123.5 108.0 7.6 79.6 84 100 A L E -BC 50 93A 0 9,-2.5 9,-0.8 -2,-0.3 2,-0.7 -0.878 13.5-161.0-106.3 114.1 107.0 7.3 83.2 85 101 A I E -BC 49 92A 9 -36,-3.4 -36,-1.6 -2,-0.6 2,-0.8 -0.833 7.5-161.6 -99.5 114.9 105.8 3.9 84.4 86 102 A H E > -B 48 0A 15 5,-2.8 4,-3.5 -2,-0.7 3,-0.3 -0.865 9.0-179.3 -84.6 110.3 103.7 3.6 87.6 87 103 A K T 4 S+ 0 0 75 -40,-0.8 -1,-0.2 -2,-0.8 -41,-0.1 0.700 79.5 69.8 -84.2 -21.4 104.1 -0.1 88.4 88 104 A D T 4 S+ 0 0 99 -41,-0.5 -1,-0.2 -43,-0.2 -40,-0.1 0.775 126.5 5.8 -56.9 -30.5 101.8 0.6 91.4 89 105 A T T 4 S- 0 0 67 -3,-0.3 -2,-0.2 2,-0.2 687,-0.1 0.634 95.7-116.8-123.7 -33.2 99.0 1.1 88.8 90 106 A G < + 0 0 0 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.0 0.130 62.8 150.9 102.4 -14.5 100.4 0.2 85.4 91 107 A L - 0 0 34 -6,-0.1 -5,-2.8 -5,-0.1 2,-0.3 -0.183 29.4-158.8 -59.0 138.4 99.8 3.8 84.2 92 108 A I E -CD 85 771A 0 679,-3.0 679,-3.5 -7,-0.2 2,-0.4 -0.903 9.2-168.3-119.1 148.5 102.2 5.2 81.6 93 109 A K E -CD 84 770A 26 -9,-0.8 -9,-2.5 -2,-0.3 677,-0.2 -0.912 8.4-163.9-139.7 107.8 103.0 8.8 80.7 94 110 A E E +CD 83 769A 10 675,-2.1 675,-1.3 -2,-0.4 2,-0.3 -0.518 14.1 165.8 -88.0 160.0 104.8 9.7 77.5 95 111 A D E -C 82 0A 31 -13,-1.8 -13,-3.0 -2,-0.2 2,-0.7 -0.861 36.8-134.0-172.5 132.4 106.5 13.0 76.8 96 112 A E E -C 81 0A 21 159,-0.3 2,-0.4 -15,-0.3 -15,-0.2 -0.887 37.3-160.5 -87.9 116.5 109.0 14.5 74.3 97 113 A V E -C 80 0A 14 -17,-3.3 -17,-2.4 -2,-0.7 2,-0.5 -0.869 15.9-121.8-109.7 133.8 111.4 16.4 76.6 98 114 A F E +C 79 0A 65 -2,-0.4 -19,-0.2 -19,-0.2 69,-0.2 -0.593 28.5 174.8 -78.2 122.5 113.7 19.2 75.5 99 115 A L E - 0 0 3 -21,-2.9 -20,-0.2 -2,-0.5 -1,-0.1 0.208 47.8-101.7-113.5 11.7 117.4 18.5 76.3 100 116 A G E -C 78 0A 2 -22,-0.5 -22,-3.4 2,-0.0 2,-0.5 -0.409 48.4 -42.2 106.1-174.5 119.0 21.6 74.6 101 117 A H E -C 77 0A 71 -24,-0.2 -44,-0.0 -2,-0.1 -3,-0.0 -0.848 40.6-157.1-104.2 124.8 120.9 22.6 71.5 102 118 A L E -C 76 0A 0 -26,-2.8 -26,-2.2 -2,-0.5 2,-0.2 -0.859 22.0-125.0 -93.6 124.6 123.6 20.5 69.9 103 119 A P E -C 75 0A 9 0, 0.0 2,-0.3 0, 0.0 -28,-0.3 -0.485 24.0-136.3 -60.1 135.8 126.1 22.3 67.6 104 120 A L - 0 0 28 -30,-3.1 2,-0.6 8,-0.2 8,-0.5 -0.732 14.7-122.4 -93.1 149.1 126.3 20.8 64.2 105 121 A M - 0 0 26 -2,-0.3 6,-0.2 6,-0.1 5,-0.1 -0.835 23.4-140.5 -98.8 120.3 129.7 20.2 62.5 106 122 A T > - 0 0 2 4,-2.1 3,-1.6 -2,-0.6 -1,-0.0 -0.061 38.8 -82.7 -71.3 175.4 130.3 21.9 59.1 107 123 A E T 3 S+ 0 0 158 1,-0.3 -100,-0.1 2,-0.1 -1,-0.1 0.602 124.1 45.5 -60.6 -14.7 132.1 20.3 56.2 108 124 A D T 3 S- 0 0 90 2,-0.2 -1,-0.3 -101,-0.1 -105,-0.1 0.166 119.5 -92.9-119.9 19.0 135.6 21.2 57.5 109 125 A G S < S+ 0 0 8 -3,-1.6 11,-0.3 1,-0.3 -2,-0.1 -0.091 87.5 120.9 99.4 -33.9 135.6 20.3 61.2 110 126 A S - 0 0 4 -5,-0.1 -4,-2.1 9,-0.1 -1,-0.3 -0.230 51.3-146.4 -68.3 149.9 134.6 23.8 62.4 111 127 A F E -G 118 0B 1 7,-3.5 7,-2.8 -6,-0.2 2,-0.6 -0.816 15.0-132.6-101.7 154.0 131.5 24.7 64.4 112 128 A I E +G 117 0B 1 -8,-0.5 -38,-3.3 -2,-0.3 2,-0.5 -0.947 28.8 177.2-109.1 110.5 129.8 28.0 63.9 113 129 A I E > S-G 116 0B 34 3,-2.6 3,-1.9 -2,-0.6 -40,-0.2 -0.954 71.0 -25.4-119.1 112.7 129.1 29.6 67.2 114 130 A N T 3 S- 0 0 65 -2,-0.5 -41,-0.2 1,-0.3 -1,-0.2 0.912 127.8 -48.1 50.2 48.8 127.5 33.1 67.2 115 131 A G T 3 S+ 0 0 11 -43,-2.1 -1,-0.3 1,-0.2 2,-0.3 0.125 115.3 118.1 85.8 -20.5 129.0 33.8 63.8 116 132 A A E < -G 113 0B 13 -3,-1.9 -3,-2.6 -45,-0.1 2,-0.9 -0.593 65.4-129.7 -92.0 142.2 132.5 32.6 64.7 117 133 A D E +G 112 0B 49 -2,-0.3 67,-3.1 -5,-0.2 2,-0.3 -0.747 39.1 178.1 -92.1 100.9 134.3 29.7 63.1 118 134 A R E -GH 111 183B 21 -7,-2.8 -7,-3.5 -2,-0.9 2,-0.3 -0.836 14.2-156.3-120.1 145.9 135.5 27.5 66.1 119 135 A V E - 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0 0 56 -2,-0.3 3,-1.4 1,-0.2 4,-0.8 -0.833 31.6-141.1 -86.0 115.3 104.2 12.6 95.2 156 364 A P G >4 S+ 0 0 16 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.818 98.5 60.9 -41.9 -39.9 104.5 9.9 92.5 157 365 A D G 34 S+ 0 0 121 1,-0.3 -71,-0.0 -3,-0.1 -2,-0.0 0.845 107.9 41.0 -63.4 -39.3 100.9 10.7 91.3 158 366 A T G <4 S+ 0 0 70 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.467 96.9 104.3 -86.4 -3.9 101.7 14.3 90.4 159 367 A L << + 0 0 17 -3,-0.9 -75,-0.0 -4,-0.8 3,-0.0 -0.529 42.7 168.6 -83.4 149.8 105.1 13.3 88.8 160 368 A T >> - 0 0 28 -2,-0.2 4,-1.8 1,-0.1 3,-1.4 -0.973 49.2 -96.8-156.4 152.3 105.6 13.2 85.1 161 369 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -78,-0.1 0.834 121.5 52.0 -45.4 -45.5 108.7 12.8 82.7 162 370 A A H 34 S+ 0 0 48 1,-0.2 -3,-0.0 2,-0.2 -67,-0.0 0.824 110.4 48.3 -62.5 -34.6 108.9 16.6 82.1 163 371 A K H <4 S+ 0 0 116 -3,-1.4 -1,-0.2 1,-0.2 -4,-0.1 0.852 112.0 47.7 -74.4 -38.3 108.9 17.4 85.9 164 372 A L H < S+ 0 0 0 -4,-1.8 2,-0.4 -14,-0.1 -14,-0.2 0.883 100.4 81.3 -68.0 -38.2 111.6 14.9 86.8 165 373 A V < + 0 0 16 -4,-2.0 2,-0.4 -5,-0.3 -21,-0.1 -0.574 51.1 176.3 -82.6 123.6 113.9 16.0 84.0 166 374 A N - 0 0 44 -2,-0.4 4,-0.3 -23,-0.2 -20,-0.2 -0.999 11.5-166.4-118.8 124.2 116.1 19.0 84.4 167 375 A S >> + 0 0 23 -2,-0.4 4,-2.1 1,-0.2 3,-1.5 0.720 65.5 94.7 -83.4 -21.2 118.3 19.6 81.4 168 376 A R H 3> S+ 0 0 145 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.785 84.3 49.6 -43.5 -46.1 120.6 22.2 83.1 169 377 A P H 3> S+ 0 0 23 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.847 111.8 48.8 -65.4 -34.9 123.3 19.6 84.1 170 378 A L H <> S+ 0 0 0 -3,-1.5 4,-1.2 -4,-0.3 -2,-0.2 0.896 115.8 44.1 -65.7 -42.5 123.4 18.2 80.6 171 379 A E H >X S+ 0 0 77 -4,-2.1 4,-3.6 2,-0.2 3,-0.5 0.937 108.3 55.3 -71.6 -49.4 123.7 21.6 79.1 172 380 A A H 3X S+ 0 0 28 -4,-3.3 4,-2.2 1,-0.3 -1,-0.2 0.900 109.4 50.4 -46.2 -45.2 126.3 22.8 81.6 173 381 A A H 3X S+ 0 0 5 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.3 0.819 115.0 42.3 -64.3 -35.3 128.4 19.8 80.6 174 382 A L H XX>S+ 0 0 16 -4,-1.2 4,-2.8 -3,-0.5 3,-0.8 0.954 109.3 55.9 -76.4 -54.5 128.0 20.7 76.9 175 383 A R H 3X5S+ 0 0 158 -4,-3.6 4,-2.3 1,-0.3 -2,-0.2 0.909 109.0 49.9 -40.2 -52.6 128.6 24.4 77.3 176 384 A E H 3X5S+ 0 0 100 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.3 0.829 111.8 47.4 -60.5 -36.2 131.9 23.5 79.0 177 385 A F H <<5S+ 0 0 24 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.956 124.4 30.6 -69.3 -52.6 132.9 21.2 76.1 178 386 A F H ><5S+ 0 0 12 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.610 110.0 73.1 -80.8 -11.9 132.0 23.6 73.3 179 387 A S H 3< 0 0 122 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-131.3 88.5 31.0 51.2 189 18 B L H > + 0 0 122 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.907 360.0 39.7 -48.4 -54.5 88.4 31.2 55.0 190 19 B T H > S+ 0 0 69 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.960 118.1 45.2 -61.7 -56.6 91.3 28.8 55.5 191 20 B E H > S+ 0 0 124 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.915 112.2 55.1 -53.4 -45.6 93.5 30.0 52.7 192 21 B I H X S+ 0 0 101 -4,-3.6 4,-1.7 1,-0.2 -1,-0.2 0.906 111.7 43.1 -51.0 -47.5 92.7 33.6 53.8 193 22 B Q H X S+ 0 0 22 -4,-2.2 4,-2.3 -5,-0.3 5,-0.3 0.934 111.3 53.3 -69.0 -48.2 94.0 32.8 57.3 194 23 B V H X S+ 0 0 20 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.924 112.6 45.1 -51.0 -48.1 97.1 30.9 56.1 195 24 B E H X S+ 0 0 101 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.832 110.3 56.2 -67.9 -32.7 98.1 33.9 53.9 196 25 B S H X S+ 0 0 31 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.882 111.3 41.7 -60.6 -43.5 97.3 36.2 56.9 197 26 B Y H X S+ 0 0 5 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.890 113.4 51.7 -77.2 -43.8 99.7 34.4 59.2 198 27 B K H >X S+ 0 0 138 -4,-2.3 4,-2.4 -5,-0.3 3,-0.9 0.968 112.3 47.5 -49.6 -55.4 102.4 33.9 56.6 199 28 B K H 3< S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.812 105.2 60.3 -59.7 -33.8 102.2 37.6 55.9 200 29 B A H 3< S+ 0 0 3 -4,-1.3 15,-2.2 1,-0.2 16,-0.4 0.836 114.6 34.3 -62.3 -34.4 102.3 38.4 59.6 201 30 B L H << S- 0 0 5 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.807 79.9-159.4 -94.4 -35.2 105.7 36.8 59.9 202 31 B Q >< + 0 0 9 -4,-2.4 3,-1.0 -5,-0.2 -3,-0.1 0.859 31.6 159.0 54.4 41.7 107.4 37.6 56.6 203 32 B A T 3 + 0 0 36 -5,-0.4 38,-0.3 1,-0.2 -1,-0.1 0.820 65.6 38.4 -68.6 -39.4 109.8 34.6 57.2 204 33 B D T 3 S+ 0 0 149 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.151 97.8 88.3-103.2 17.3 111.0 33.9 53.7 205 34 B V S < S- 0 0 44 -3,-1.0 5,-0.1 2,-0.0 0, 0.0 -0.975 85.7-115.0-115.4 119.7 111.2 37.5 52.5 206 35 B P >> - 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