==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 17-FEB-06 2DEU . COMPND 2 MOLECULE: TRNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.NUMATA,Y.IKEUCHI,S.FUKAI,T.SUZUKI,O.NUREKI . 728 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 4 0.5 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 . 54 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 3.6 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 4 0 2 0 2 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 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 0 PARALLEL BRIDGES PER LADDER . 4 5 5 4 0 5 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 2 2 2 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 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 A 0 0 116 0, 0.0 24,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.6 55.8 38.6 20.4 2 6 A K - 0 0 100 1,-0.1 25,-2.5 116,-0.1 2,-0.4 -0.182 360.0 -95.7 -71.6 167.8 58.7 37.7 22.7 3 7 A K E -a 27 0A 36 23,-0.2 115,-1.3 25,-0.1 2,-0.4 -0.710 39.3-169.9 -88.7 137.8 61.7 35.8 21.5 4 8 A V E -a 28 0A 0 23,-1.7 25,-2.3 -2,-0.4 2,-0.8 -0.952 10.8-166.4-133.3 114.3 61.7 32.0 22.0 5 9 A I E -ab 29 120A 0 114,-1.8 116,-2.0 -2,-0.4 2,-0.4 -0.866 13.6-166.3-104.0 109.1 64.7 29.7 21.6 6 10 A V E -ab 30 121A 1 23,-1.8 25,-1.8 -2,-0.8 2,-1.2 -0.744 27.2-116.1 -93.0 136.1 63.6 26.1 21.5 7 11 A G E -a 31 0A 17 114,-2.5 2,-0.5 -2,-0.4 116,-0.2 -0.594 30.5-154.8 -75.0 99.6 66.1 23.3 21.9 8 12 A M + 0 0 8 23,-1.6 25,-0.2 -2,-1.2 46,-0.1 -0.641 24.4 166.4 -77.2 123.6 65.9 21.5 18.5 9 13 A S - 0 0 54 -2,-0.5 45,-0.2 2,-0.2 -1,-0.2 0.478 55.6-111.6-112.9 -10.5 67.0 17.9 19.0 10 14 A G S S+ 0 0 1 1,-0.3 2,-0.3 43,-0.2 -2,-0.1 0.674 77.2 135.8 83.1 15.7 65.8 16.5 15.7 11 15 A G > - 0 0 17 1,-0.1 4,-1.5 42,-0.0 -1,-0.3 -0.675 69.8-117.6 -97.4 153.4 63.3 14.6 17.8 12 16 A V H > S+ 0 0 4 173,-0.3 4,-1.6 176,-0.3 5,-0.3 0.936 112.7 53.0 -53.9 -48.3 59.6 14.2 17.1 13 17 A D H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.955 105.4 48.7 -49.5 -83.3 58.8 16.0 20.2 14 18 A S H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.749 109.5 54.6 -19.6 -68.9 60.8 19.2 19.8 15 19 A S H >X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.3 3,-1.4 0.903 111.0 41.2 -37.0 -73.5 59.6 19.8 16.3 16 20 A V H 3X S+ 0 0 0 -4,-1.6 4,-1.6 -3,-0.4 -1,-0.3 0.928 113.6 60.3 -43.1 -47.0 55.9 19.7 17.0 17 21 A S H 3X S+ 0 0 1 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.3 0.790 107.5 41.0 -52.5 -37.9 56.9 21.7 20.1 18 22 A A H XX S+ 0 0 0 -4,-1.7 4,-3.2 -3,-1.4 3,-2.0 0.965 111.8 54.2 -75.5 -56.6 58.4 24.6 18.1 19 23 A W H 3X S+ 0 0 59 -4,-2.1 4,-2.2 1,-0.3 -2,-0.2 0.735 105.1 58.2 -47.1 -27.6 55.6 24.7 15.5 20 24 A L H 3X S+ 0 0 38 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.3 0.809 110.6 39.4 -76.0 -31.6 53.2 25.0 18.4 21 25 A L H < S+ 0 0 54 -4,-3.2 3,-1.4 1,-0.3 -2,-0.2 0.916 114.5 38.0 -39.5 -56.3 55.3 29.4 16.1 23 27 A Q H 3< S+ 0 0 124 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.963 107.1 65.0 -60.3 -51.5 51.5 29.0 15.8 24 28 A Q H 3< S- 0 0 111 -4,-2.2 2,-0.6 1,-0.1 -1,-0.3 0.513 121.3-107.6 -51.6 -2.7 51.0 30.3 19.3 25 29 A G S << S+ 0 0 53 -3,-1.4 3,-0.2 -4,-0.7 -1,-0.1 -0.642 72.0 133.1 114.2 -76.8 52.4 33.6 18.0 26 30 A Y - 0 0 59 -2,-0.6 2,-0.6 1,-0.2 -1,-0.2 0.582 66.7-103.3 -8.9 148.2 56.0 33.9 19.5 27 31 A Q E -a 3 0A 105 -25,-2.5 -23,-1.7 2,-0.0 2,-0.6 -0.762 49.5-156.2 -80.4 126.2 59.1 34.8 17.5 28 32 A V E +a 4 0A 16 -2,-0.6 2,-0.3 -25,-0.2 36,-0.3 -0.890 27.8 157.9-123.6 112.4 60.7 31.3 17.3 29 33 A E E -a 5 0A 43 -25,-2.3 -23,-1.8 -2,-0.6 2,-0.3 -0.911 23.8-149.8-120.9 149.3 64.3 30.5 16.8 30 34 A G E -ac 6 65A 0 34,-2.1 36,-2.9 -2,-0.3 2,-0.4 -0.923 4.5-156.1-125.3 150.6 65.8 27.1 17.7 31 35 A L E -ac 7 66A 0 -25,-1.8 -23,-1.6 -2,-0.3 2,-0.6 -0.938 5.7-151.6-123.1 144.5 69.3 26.0 18.8 32 36 A F E - c 0 67A 18 34,-3.6 36,-1.2 -2,-0.4 2,-0.2 -0.930 13.8-148.7-121.0 110.4 70.9 22.6 18.5 33 37 A M E - c 0 68A 31 -2,-0.6 2,-0.6 -25,-0.2 36,-0.2 -0.498 7.8-163.4 -78.0 139.9 73.5 21.7 21.1 34 38 A K + 0 0 45 34,-1.8 37,-1.1 -2,-0.2 3,-0.1 -0.920 26.4 156.9-120.1 99.7 76.4 19.4 20.2 35 39 A N + 0 0 6 -2,-0.6 2,-0.4 35,-0.2 40,-0.2 0.289 45.4 62.6-115.3 14.1 77.6 18.3 23.6 36 40 A W - 0 0 20 160,-0.1 2,-1.7 38,-0.1 -1,-0.1 -0.949 63.7-143.0-144.6 123.3 79.5 15.0 23.2 37 41 A E - 0 0 125 -2,-0.4 7,-0.1 34,-0.1 160,-0.0 -0.566 30.4-143.4 -84.5 78.0 82.6 14.2 21.3 38 42 A E - 0 0 26 -2,-1.7 159,-0.0 1,-0.1 -2,-0.0 0.022 8.1-154.7 -39.3 138.2 81.8 10.8 20.0 39 43 A D S S+ 0 0 121 5,-0.0 -1,-0.1 2,-0.0 -2,-0.0 0.922 74.4 50.1 -84.9 -50.6 84.8 8.4 19.8 40 44 A D S S- 0 0 84 1,-0.1 4,-0.3 4,-0.0 0, 0.0 0.044 74.2-133.7 -76.2-173.3 83.5 6.1 17.1 41 45 A G S > S+ 0 0 39 2,-0.2 4,-0.8 3,-0.1 5,-0.4 0.723 103.0 62.0-110.2 -45.1 82.1 6.9 13.7 42 46 A E H > S+ 0 0 169 1,-0.3 4,-0.6 2,-0.2 -2,-0.0 0.799 112.1 46.6 -51.5 -25.4 79.0 4.6 13.6 43 47 A E H > S+ 0 0 15 2,-0.1 4,-1.5 3,-0.1 -1,-0.3 0.877 107.0 56.6 -84.0 -44.0 78.2 6.9 16.6 44 48 A Y H >> S+ 0 0 114 -4,-0.3 3,-3.3 2,-0.2 4,-2.0 0.956 106.9 43.3 -50.5 -86.4 79.0 10.2 14.9 45 49 A C H 3X>S+ 0 0 77 -4,-0.8 4,-3.4 1,-0.3 5,-0.6 0.794 107.7 63.1 -25.4 -56.2 76.8 10.1 11.8 46 50 A T H 3<5S+ 0 0 84 -4,-0.6 4,-0.3 -5,-0.4 -1,-0.3 0.858 118.5 26.5 -42.4 -44.7 74.0 8.8 14.0 47 51 A A H <<5S+ 0 0 38 -3,-3.3 -1,-0.3 -4,-1.5 -2,-0.3 0.560 118.8 60.5 -96.5 -13.1 74.1 12.1 15.9 48 52 A A H >X5S+ 0 0 29 -4,-2.0 3,-2.0 -3,-0.4 4,-0.8 0.963 110.5 39.7 -75.4 -54.1 75.5 14.2 13.1 49 53 A A H 3X5S+ 0 0 51 -4,-3.4 4,-1.9 1,-0.3 5,-0.2 0.751 99.4 76.2 -64.4 -24.1 72.5 13.4 10.9 50 54 A D H 3> S+ 0 0 46 -3,-2.0 4,-3.4 2,-0.2 -1,-0.2 0.916 101.5 54.8 -82.4 -50.0 71.1 17.5 13.2 52 56 A A H X S+ 0 0 58 -4,-0.8 4,-1.8 1,-0.3 -2,-0.2 0.786 109.8 50.8 -54.1 -27.9 70.1 17.4 9.5 53 57 A D H < S+ 0 0 45 -4,-1.9 4,-0.4 2,-0.2 -1,-0.3 0.906 111.1 48.7 -74.2 -43.2 66.8 16.1 10.9 54 58 A A H >X S+ 0 0 1 -4,-1.0 4,-1.3 -5,-0.2 3,-1.2 0.973 116.7 40.3 -58.3 -58.9 66.8 19.0 13.3 55 59 A Q H >X S+ 0 0 82 -4,-3.4 4,-2.3 1,-0.3 3,-1.9 0.978 106.7 61.0 -53.8 -66.1 67.6 21.6 10.7 56 60 A A H 3X S+ 0 0 39 -4,-1.8 4,-0.9 1,-0.3 -1,-0.3 0.573 107.1 49.7 -41.2 -13.0 65.3 20.3 8.0 57 61 A V H <> S+ 0 0 1 -3,-1.2 4,-0.9 -4,-0.4 -1,-0.3 0.790 107.4 50.8 -95.9 -37.1 62.4 20.8 10.4 58 62 A C H S+ 0 0 0 -3,-1.9 5,-2.5 -4,-1.3 4,-1.7 0.850 114.6 46.6 -66.5 -33.0 63.4 24.4 11.2 59 63 A D H <5S+ 0 0 99 -4,-2.3 -1,-0.2 3,-0.3 -2,-0.2 0.944 109.2 50.8 -73.7 -48.8 63.5 25.0 7.5 60 64 A K H <5S+ 0 0 145 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.703 120.1 40.6 -61.7 -15.8 60.2 23.3 6.7 61 65 A L H <5S- 0 0 22 -4,-0.9 -1,-0.3 2,-0.1 -2,-0.3 0.689 116.7-116.5-100.8 -27.9 59.0 25.5 9.5 62 66 A G T <5 + 0 0 61 -4,-1.7 2,-0.3 1,-0.3 -3,-0.3 0.934 65.4 133.7 86.5 61.8 60.9 28.6 8.5 63 67 A I < - 0 0 22 -5,-2.5 2,-0.3 -8,-0.2 -1,-0.3 -0.987 56.9-112.9-142.4 147.6 63.2 29.1 11.5 64 68 A E - 0 0 114 -2,-0.3 -34,-2.1 -36,-0.3 2,-0.6 -0.640 28.2-144.7 -82.0 138.3 66.8 29.8 12.0 65 69 A L E -c 30 0A 19 -2,-0.3 2,-0.4 -36,-0.2 -34,-0.2 -0.921 10.4-154.2-110.3 119.9 68.8 27.0 13.6 66 70 A H E -c 31 0A 39 -36,-2.9 -34,-3.6 -2,-0.6 2,-0.3 -0.766 3.8-147.0 -95.5 130.9 71.7 27.9 15.9 67 71 A T E +c 32 0A 103 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.679 23.2 169.2 -93.1 147.9 74.7 25.7 16.6 68 72 A V E -c 33 0A 13 -36,-1.2 -34,-1.8 -2,-0.3 2,-0.3 -0.977 25.4-147.7-152.6 155.4 76.4 25.6 20.0 69 73 A N > + 0 0 88 -2,-0.3 3,-0.6 -36,-0.2 -34,-0.1 -0.684 31.7 151.9-136.0 85.7 79.0 23.5 21.7 70 74 A F T >> + 0 0 18 -2,-0.3 4,-2.2 1,-0.2 3,-1.1 0.391 44.2 112.5 -87.7 1.1 78.5 23.1 25.4 71 75 A A H 3> S+ 0 0 15 -37,-1.1 4,-1.8 1,-0.3 5,-0.3 0.840 70.4 65.4 -41.5 -37.4 80.2 19.7 25.1 72 76 A A H <> S+ 0 0 65 -3,-0.6 4,-1.8 1,-0.2 -1,-0.3 0.952 109.7 33.2 -50.5 -57.1 83.0 21.4 27.1 73 77 A E H <> S+ 0 0 65 -3,-1.1 4,-3.3 2,-0.2 5,-0.4 0.715 106.3 71.6 -75.5 -22.5 80.7 21.9 30.1 74 78 A Y H X>S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-1.0 0.988 109.7 33.2 -55.2 -58.6 78.8 18.6 29.6 75 79 A W H <>S+ 0 0 89 -4,-1.8 5,-1.8 3,-0.2 3,-0.4 0.968 118.9 55.8 -59.3 -54.2 81.9 16.6 30.6 76 80 A D H <5S+ 0 0 111 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.896 124.5 18.7 -43.2 -59.3 82.9 19.3 33.1 77 81 A N H <5S+ 0 0 55 -4,-3.3 -1,-0.2 3,-0.1 -2,-0.2 0.439 137.9 17.9 -99.9 -0.1 79.7 19.4 35.1 78 82 A V T X5S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.4 -3,-0.2 0.524 115.5 43.8-131.1 -78.3 78.0 16.1 34.2 79 83 A F H > S+ 0 0 85 -6,-0.3 4,-1.6 1,-0.2 5,-0.3 0.800 112.0 66.4 -60.7 -26.5 80.5 13.4 38.3 82 86 A F H X S+ 0 0 4 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.993 104.7 37.8 -54.8 -69.4 78.8 10.7 36.3 83 87 A L H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.792 112.6 65.0 -53.5 -32.1 81.8 8.4 36.3 84 88 A A H >X S+ 0 0 53 -4,-1.9 4,-1.6 1,-0.2 3,-0.7 0.982 104.1 37.3 -55.1 -81.4 82.6 9.5 39.8 85 89 A E H 3<>S+ 0 0 35 -4,-1.6 5,-0.9 1,-0.3 -1,-0.2 0.701 115.6 58.6 -47.5 -22.5 79.7 8.2 41.8 86 90 A Y H >X5S+ 0 0 20 -4,-1.3 3,-2.5 -5,-0.3 4,-0.5 0.965 100.9 52.4 -72.2 -50.8 79.7 5.1 39.5 87 91 A K H <<5S+ 0 0 152 -4,-2.6 -2,-0.2 -3,-0.7 -1,-0.2 0.851 103.2 62.0 -48.7 -37.2 83.3 4.2 40.5 88 92 A A T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.177 124.6-105.7 -77.1 17.5 82.0 4.5 44.1 89 93 A G T <45S+ 0 0 18 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.944 81.4 119.3 56.7 53.4 79.6 1.6 43.3 90 94 A R << - 0 0 53 -5,-0.9 -1,-0.2 -4,-0.5 249,-0.2 -0.911 66.4-113.2-139.4 165.4 76.5 3.7 43.1 91 95 A T - 0 0 7 247,-1.6 2,-0.2 -2,-0.3 -5,-0.1 -0.878 34.5-170.5-111.3 103.3 73.9 4.3 40.4 92 96 A P - 0 0 9 0, 0.0 248,-0.2 0, 0.0 3,-0.1 -0.582 21.8-134.7 -90.2 151.0 73.9 7.9 39.1 93 97 A N >> - 0 0 22 246,-0.5 3,-1.6 1,-0.2 4,-0.5 -0.694 20.2-176.8-107.6 80.0 71.4 9.5 36.8 94 98 A P H >> S+ 0 0 14 0, 0.0 3,-3.9 0, 0.0 4,-1.6 0.905 83.5 56.0 -37.2 -67.4 73.4 11.5 34.2 95 99 A D H 3> S+ 0 0 34 1,-0.3 4,-1.0 2,-0.2 5,-0.2 0.780 94.4 68.8 -35.1 -41.2 70.3 12.8 32.6 96 100 A I H <4 S+ 0 0 7 -3,-1.6 4,-0.3 1,-0.3 -1,-0.3 0.690 111.1 32.2 -59.0 -17.5 69.2 14.2 35.9 97 101 A L H S+ 0 0 35 -3,-3.9 4,-3.5 -4,-0.5 5,-0.7 0.580 100.2 80.4-107.4 -22.9 72.0 16.7 35.7 98 102 A C H <>S+ 0 0 0 -4,-1.6 5,-1.7 -5,-0.3 4,-0.2 0.768 105.3 36.8 -55.7 -22.2 71.9 16.9 32.0 99 103 A N I <>S+ 0 0 5 -4,-1.0 5,-0.6 51,-0.2 -1,-0.3 0.784 117.0 50.3 -98.5 -33.3 69.0 19.2 32.7 100 104 A K I 45S+ 0 0 52 -4,-0.3 -2,-0.2 -5,-0.2 -3,-0.1 0.833 121.6 30.1 -74.4 -35.6 70.4 20.9 35.9 101 105 A E I <>S+ 0 0 24 -4,-3.5 5,-1.0 4,-0.1 -3,-0.2 0.603 136.9 7.5-102.2 -14.5 73.8 21.9 34.4 102 106 A I I > XS+ 0 0 0 -5,-0.7 3,-3.1 -4,-0.2 5,-1.6 0.465 117.5 49.0-128.4 -86.4 72.9 22.4 30.8 103 107 A K I 3 5S+ 0 0 88 -3,-3.1 4,-4.2 -4,-0.0 5,-0.3 -0.041 125.5 43.5-156.9 -86.9 71.6 26.8 32.8 106 110 A A H >> S+ 0 0 21 -6,-0.5 4,-0.8 1,-0.2 3,-0.7 0.728 111.4 51.8 -27.2 -44.6 69.4 29.2 29.3 109 113 A E H >X S+ 0 0 106 -4,-4.2 4,-2.0 1,-0.2 3,-1.5 1.000 108.3 47.8 -59.0 -69.9 72.4 31.4 29.9 110 114 A F H 3<>S+ 0 0 38 -4,-1.9 5,-1.4 -5,-0.3 4,-0.4 0.481 98.3 77.5 -51.3 -3.1 73.5 31.4 26.3 111 115 A A H <<5S+ 0 0 1 -4,-0.9 5,-0.3 -3,-0.7 -1,-0.3 0.952 112.9 13.8 -74.0 -50.6 69.9 32.3 25.4 112 116 A A H <<5S+ 0 0 57 -3,-1.5 -2,-0.2 -4,-0.8 -3,-0.1 0.766 119.7 64.7 -95.6 -34.2 70.1 35.9 26.4 113 117 A E T <5S- 0 0 142 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.1 0.788 133.5 -7.7 -61.1 -25.1 73.9 36.4 26.7 114 118 A D T 5S+ 0 0 100 -4,-0.4 -3,-0.2 -5,-0.3 -4,-0.1 0.444 137.2 45.4-130.1 -82.6 74.0 35.7 22.9 115 119 A L S +E 134 0B 55 3,-1.6 3,-3.3 -2,-0.3 -2,-0.0 -0.992 58.5 3.5-152.7 151.4 50.3 30.8 40.5 132 136 A D T 3 S- 0 0 167 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.787 128.6 -60.4 41.6 33.4 50.4 33.3 43.5 133 137 A G T 3 S+ 0 0 83 1,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.348 116.2 106.7 82.4 -6.3 53.4 34.8 41.8 134 138 A K E < -E 131 0B 70 -3,-3.3 -3,-1.6 -5,-0.0 2,-0.3 -0.933 69.4-128.6-114.0 122.1 55.6 31.6 41.9 135 139 A S E -E 130 0B 6 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.491 32.9-156.5 -65.2 122.6 56.3 29.6 38.7 136 140 A R E -E 129 0B 93 -7,-1.5 -7,-2.1 -2,-0.3 2,-0.3 -0.835 10.1-135.4-112.7 146.3 55.5 26.0 39.4 137 141 A L E +E 128 0B 1 213,-0.4 213,-1.8 -2,-0.3 2,-0.3 -0.639 30.6 161.1 -91.7 148.8 56.6 22.7 37.9 138 142 A L E -EF 127 349B 10 -11,-1.5 -11,-3.0 211,-0.3 211,-0.2 -0.834 38.7-104.7-174.0 133.0 54.2 19.9 37.1 139 143 A R E -E 126 0B 47 209,-0.6 -13,-0.2 -2,-0.3 4,-0.1 -0.139 41.3-120.7 -54.9 146.5 54.0 16.7 34.9 140 144 A G - 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0 0 49 -5,-0.9 -1,-0.2 -4,-0.5 249,-0.2 -0.905 66.3-113.5-139.0 165.5 14.7 -35.8 11.6 456 95 B T - 0 0 10 247,-1.6 2,-0.2 -2,-0.3 -5,-0.1 -0.885 34.3-170.7-112.3 105.6 18.4 -36.4 12.0 457 96 B P - 0 0 8 0, 0.0 248,-0.2 0, 0.0 3,-0.1 -0.592 22.2-133.5 -92.0 151.8 19.4 -40.1 11.3 458 97 B N >> - 0 0 24 246,-0.5 3,-1.5 1,-0.2 4,-0.5 -0.707 20.3-176.4-107.7 81.6 22.8 -41.6 12.0 459 98 B P H >> S+ 0 0 15 0, 0.0 3,-3.8 0, 0.0 4,-1.6 0.914 84.0 55.6 -38.1 -67.5 23.6 -43.6 8.8 460 99 B D H 3> S+ 0 0 35 1,-0.3 4,-1.0 2,-0.2 5,-0.2 0.785 94.2 69.5 -35.9 -40.6 26.8 -44.9 10.3 461 100 B I H <4 S+ 0 0 7 -3,-1.5 4,-0.3 1,-0.3 -1,-0.3 0.696 111.2 31.9 -58.1 -18.4 24.8 -46.3 13.2 462 101 B L H S+ 0 0 31 -3,-3.8 4,-3.5 -4,-0.5 5,-0.7 0.585 100.1 80.8-107.3 -22.9 23.2 -48.9 10.8 463 102 B C H <>S+ 0 0 0 -4,-1.6 5,-1.6 -5,-0.3 -2,-0.2 0.761 105.3 36.8 -55.0 -21.7 26.4 -49.0 8.7 464 103 B N I <>S+ 0 0 5 -4,-1.0 5,-0.7 51,-0.2 -1,-0.3 0.783 116.8 50.5 -99.1 -33.8 27.4 -51.4 11.5 465 104 B K I 45S+ 0 0 59 -4,-0.3 -2,-0.2 -5,-0.2 -3,-0.1 0.824 121.8 29.9 -74.1 -35.7 24.1 -53.0 12.2 466 105 B E I <>S+ 0 0 22 -4,-3.5 5,-1.0 4,-0.1 -3,-0.2 0.605 136.7 8.5-102.3 -15.8 23.3 -54.0 8.6 467 106 B I I > XS+ 0 0 0 -5,-0.7 3,-3.2 3,-0.2 5,-1.6 0.478 117.8 48.0-125.6 -87.1 26.7 -54.5 7.2 468 107 B K I 3 5S+ 0 0 98 -3,-3.2 4,-4.3 -4,-0.0 5,-0.3 -0.044 125.2 44.3-157.4 -87.2 25.9 -58.9 9.5 471 110 B A H >> S+ 0 0 24 -6,-0.5 4,-0.8 1,-0.2 3,-0.7 0.736 111.6 51.3 -27.5 -44.9 30.0 -61.3 9.2 474 113 B E H >X S+ 0 0 96 -4,-4.3 4,-2.0 1,-0.2 3,-1.5 0.999 108.4 47.9 -58.8 -70.2 27.7 -63.5 7.1 475 114 B F H 3<>S+ 0 0 36 -4,-1.9 5,-1.4 -5,-0.3 4,-0.4 0.482 98.5 77.6 -50.5 -3.4 30.0 -63.5 4.1 476 115 B A H <<5S+ 0 0 1 -4,-0.9 5,-0.4 -3,-0.7 -1,-0.3 0.954 112.8 13.7 -73.9 -51.0 32.8 -64.4 6.5 477 116 B A H <<5S+ 0 0 56 -3,-1.5 -2,-0.2 -4,-0.8 -3,-0.1 0.772 119.9 64.6 -95.1 -34.8 31.9 -68.0 6.9 478 117 B E T <5S- 0 0 138 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.1 0.786 133.5 -7.4 -60.6 -25.4 29.5 -68.5 4.0 479 118 B D T 5S+ 0 0 101 -4,-0.4 -3,-0.2 -5,-0.3 -4,-0.1 0.455 137.1 45.2-129.5 -83.3 32.4 -67.8 1.7 480 119 B L S +U 499 0G 61 3,-1.6 3,-3.2 -2,-0.3 -2,-0.0 -0.992 58.6 4.3-152.4 151.4 32.1 -62.9 31.2 497 136 B D T 3 S- 0 0 166 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.784 128.7 -60.8 42.3 32.3 29.7 -65.4 32.9 498 137 B G T 3 S+ 0 0 84 1,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.352 116.3 106.4 82.4 -6.2 29.3 -66.9 29.4 499 138 B K E < -U 496 0G 77 -3,-3.2 -3,-1.6 -5,-0.0 2,-0.3 -0.934 69.2-129.3-114.0 121.7 27.9 -63.8 27.7 500 139 B S E -U 495 0G 8 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.485 32.7-157.0 -65.7 124.4 30.1 -61.7 25.3 501 140 B R E -U 494 0G 99 -7,-1.5 -7,-2.1 -2,-0.3 2,-0.3 -0.845 10.7-134.0-116.0 147.6 30.0 -58.1 26.4 502 141 B L E +U 493 0G 0 213,-0.4 213,-1.8 -2,-0.3 2,-0.3 -0.628 30.9 160.7 -91.2 148.5 30.6 -54.8 24.6 503 142 B L E -UV 492 714G 7 -11,-1.6 -11,-3.0 211,-0.3 211,-0.2 -0.838 38.8-104.1-174.1 133.4 32.6 -52.0 26.1 504 143 B R E -U 491 0G 34 209,-0.7 -13,-0.2 -2,-0.3 4,-0.1 -0.144 41.1-122.1 -54.2 146.3 34.5 -48.8 25.0 505 144 B G - 0 0 8 -15,-0.5 28,-0.2 1,-0.2 -1,-0.1 0.047 31.8 -78.9 -81.9-169.4 38.3 -49.0 24.8 506 145 B L S S+ 0 0 70 26,-1.3 -1,-0.2 28,-0.4 30,-0.1 0.044 104.4 66.6 -74.7-164.7 41.0 -47.0 26.5 507 146 B D S > S- 0 0 38 26,-0.1 3,-1.2 2,-0.1 -1,-0.2 0.851 76.5-163.1 53.3 33.0 41.9 -43.5 25.3 508 147 B S T 3 S+ 0 0 85 1,-0.3 -3,-0.1 -3,-0.1 -1,-0.1 0.626 77.6 60.4 -11.5 -68.1 38.4 -42.7 26.6 509 148 B N T 3 S+ 0 0 137 1,-0.1 2,-0.7 165,-0.0 -1,-0.3 0.873 107.5 45.7 -34.4 -69.1 38.3 -39.4 24.7 510 149 B K S < S+ 0 0 54 -3,-1.2 2,-0.3 2,-0.0 26,-0.2 -0.719 85.6 123.4 -83.7 114.4 38.7 -41.1 21.3 511 150 B D - 0 0 10 -2,-0.7 163,-0.3 -7,-0.1 3,-0.2 -0.958 49.3-149.0-167.0 153.3 36.4 -44.2 21.2 512 151 B Q >> + 0 0 33 -22,-2.2 3,-1.6 -2,-0.3 4,-0.5 0.315 54.9 120.8-115.8 10.0 33.6 -45.7 19.1 513 152 B S G >4 S+ 0 0 0 -23,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.836 72.5 66.2 -38.2 -44.3 31.3 -47.7 21.6 514 153 B Y G >4 S+ 0 0 1 1,-0.3 3,-1.1 -3,-0.2 -1,-0.3 0.858 93.5 56.8 -47.7 -47.9 28.4 -45.4 20.5 515 154 B F G <4 S+ 0 0 29 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.575 105.3 52.0 -67.9 -8.7 28.3 -46.7 17.0 516 155 B L G X< + 0 0 0 -3,-1.9 3,-0.6 -4,-0.5 -1,-0.2 0.025 62.6 115.4-119.1 31.5 27.8 -50.3 18.0 517 156 B Y T < S+ 0 0 7 -3,-1.1 -1,-0.1 1,-0.2 -2,-0.1 0.731 74.4 65.3 -71.1 -16.7 24.9 -50.3 20.4 518 157 B T T 3 S+ 0 0 9 -57,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.852 81.8 99.1 -70.5 -36.8 23.0 -52.3 17.8 519 158 B L < - 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