==== 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 08-JUN-06 2DR8 . COMPND 2 MOLECULE: TRNA (33-MER); . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.TOMITA,R.ISHITANI,S.FUKAI,O.NUREKI . 437 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 4 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 . 30 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 2 0 0 0 3 2 0 3 1 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 1 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 1 1 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 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 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 0 173 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.7 3.7 15.6 -6.6 2 2 A K >> - 0 0 115 3,-0.1 3,-2.2 4,-0.1 4,-1.5 -0.096 360.0 -79.4 -61.4 166.1 2.3 12.0 -6.4 3 3 A V H >> S+ 0 0 17 1,-0.3 4,-2.7 2,-0.2 3,-0.6 0.806 126.4 52.5 -29.0 -71.3 2.8 9.5 -9.3 4 4 A E H 34 S+ 0 0 120 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.706 109.5 51.5 -48.0 -25.6 0.0 10.7 -11.6 5 5 A E H X> S+ 0 0 107 -3,-2.2 4,-1.6 2,-0.2 3,-0.7 0.911 111.3 46.9 -77.9 -43.8 1.4 14.3 -11.5 6 6 A I H S+ 0 0 117 -3,-0.7 4,-0.7 -4,-0.5 3,-0.3 0.939 110.7 41.7 -75.7 -50.1 2.1 14.1 -16.7 9 9 A K H >X S+ 0 0 108 -4,-1.6 3,-1.3 1,-0.2 4,-0.7 0.922 112.2 59.0 -60.5 -42.4 5.4 16.0 -16.7 10 10 A A H >X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.3 3,-0.9 0.833 92.6 65.0 -55.3 -38.6 7.0 12.7 -17.9 11 11 A L H 3X S+ 0 0 37 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.3 0.828 96.5 59.0 -56.5 -30.9 4.8 12.6 -21.0 12 12 A E H << S+ 0 0 143 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.844 105.0 48.4 -67.4 -33.8 6.5 15.8 -22.2 13 13 A L H << S+ 0 0 69 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.741 121.3 34.0 -78.7 -23.8 9.9 14.1 -22.1 14 14 A V H < S+ 0 0 4 -4,-1.3 41,-1.4 40,-0.1 -2,-0.2 0.635 96.6 85.6-108.8 -16.0 8.7 11.0 -24.1 15 15 A I S < S- 0 0 47 -4,-2.3 2,-0.2 -5,-0.2 39,-0.1 -0.749 79.8-120.2 -91.8 128.5 6.1 12.3 -26.5 16 16 A P - 0 0 10 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 -0.454 30.4-121.3 -65.9 132.3 7.4 13.6 -29.8 17 17 A D >> - 0 0 58 -2,-0.2 4,-1.7 1,-0.1 3,-1.2 -0.366 31.1 -97.7 -72.0 154.1 6.4 17.2 -30.3 18 18 A E H 3> S+ 0 0 173 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.791 122.5 57.5 -40.0 -40.8 4.4 18.1 -33.4 19 19 A E H 3> S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.907 106.1 46.8 -62.4 -43.9 7.5 19.2 -35.3 20 20 A E H <> S+ 0 0 34 -3,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.842 108.9 56.2 -67.9 -31.8 9.3 15.9 -35.0 21 21 A V H X S+ 0 0 44 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.915 104.3 54.7 -63.2 -42.7 6.1 14.1 -36.0 22 22 A R H X S+ 0 0 146 -4,-1.9 4,-2.7 -5,-0.2 5,-0.3 0.965 105.8 50.2 -54.6 -58.8 6.1 16.2 -39.2 23 23 A K H X S+ 0 0 98 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.867 111.2 49.4 -48.6 -44.7 9.7 15.1 -40.2 24 24 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.892 112.0 47.5 -65.0 -40.6 8.8 11.5 -39.7 25 25 A R H X S+ 0 0 97 -4,-2.3 4,-3.1 -3,-0.3 -2,-0.2 0.940 111.5 49.0 -66.2 -48.7 5.7 11.7 -41.8 26 26 A E H X S+ 0 0 62 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.868 113.7 47.6 -59.1 -38.1 7.3 13.5 -44.7 27 27 A A H X S+ 0 0 0 -4,-1.9 4,-3.3 -5,-0.3 -1,-0.2 0.890 111.0 51.6 -69.6 -39.8 10.1 11.0 -44.7 28 28 A E H X S+ 0 0 44 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 112.1 46.8 -60.4 -47.2 7.6 8.2 -44.6 29 29 A E H X S+ 0 0 91 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.963 115.7 43.5 -59.2 -55.4 5.8 9.8 -47.5 30 30 A E H X S+ 0 0 49 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.920 112.3 54.1 -56.0 -47.5 9.0 10.3 -49.6 31 31 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.871 109.2 48.1 -57.2 -39.3 10.3 6.9 -48.6 32 32 A R H X S+ 0 0 80 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.939 109.7 53.3 -67.3 -46.4 7.0 5.3 -49.9 33 33 A R H < S+ 0 0 151 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.936 109.9 46.7 -52.3 -51.5 7.3 7.3 -53.1 34 34 A R H X S+ 0 0 58 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.898 114.5 47.2 -58.8 -42.7 10.8 6.0 -53.8 35 35 A L H >X S+ 0 0 4 -4,-2.0 2,-1.5 1,-0.2 3,-0.6 0.825 103.7 67.1 -67.8 -31.6 9.8 2.5 -53.0 36 36 A D H 3< S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.2 4,-0.1 -0.609 98.3 49.1 -90.3 74.1 6.8 3.1 -55.3 37 37 A E H 34 S+ 0 0 162 -2,-1.5 -1,-0.2 2,-0.3 -2,-0.2 0.067 107.7 50.6-174.7 -32.5 8.8 3.3 -58.5 38 38 A L H << S- 0 0 83 -3,-0.6 2,-0.3 -4,-0.6 -2,-0.2 0.476 100.0-138.8 -95.8 -5.9 10.9 0.3 -58.1 39 39 A G < + 0 0 44 -4,-0.5 -1,-0.5 1,-0.2 -2,-0.3 -0.679 47.6 140.9 76.8-138.8 7.8 -1.8 -57.4 40 40 A V - 0 0 51 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.582 54.0-102.1 75.3 130.2 8.9 -4.1 -54.6 41 41 A E + 0 0 104 24,-0.4 24,-1.1 2,-0.0 2,-0.3 -0.643 46.5 165.6 -87.3 141.8 6.8 -5.2 -51.7 42 42 A Y E -A 64 0A 43 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.994 24.0-160.3-154.3 158.5 7.3 -3.6 -48.3 43 43 A V E -A 63 0A 30 20,-2.0 20,-2.3 -2,-0.3 2,-0.4 -0.965 20.4-134.2-145.0 123.6 5.8 -3.1 -44.9 44 44 A F E +A 62 0A 13 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.653 39.7 162.4 -76.2 125.9 6.6 -0.5 -42.3 45 45 A V E >> +A 61 0A 2 16,-2.4 4,-1.1 -2,-0.4 16,-0.7 -0.471 25.8 53.9-125.9-162.1 7.0 -2.1 -38.9 46 46 A G H 3> S- 0 0 13 84,-0.2 4,-1.2 1,-0.2 3,-0.3 -0.002 105.7 -35.5 64.2-171.8 8.5 -1.2 -35.5 47 47 A S H 34>S+ 0 0 25 1,-0.2 5,-2.5 2,-0.2 6,-1.0 0.617 131.5 57.6 -60.8 -21.3 7.8 1.9 -33.4 48 48 A Y H X45S+ 0 0 2 -3,-0.5 3,-1.0 11,-0.4 -1,-0.2 0.940 108.0 46.5 -76.3 -44.9 7.4 4.4 -36.2 49 49 A A H 3<5S+ 0 0 31 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.764 118.7 42.2 -64.2 -27.6 4.6 2.4 -37.8 50 50 A R T 3<5S- 0 0 19 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.376 107.6-124.9-100.6 3.4 2.9 1.9 -34.4 51 51 A N T < 5S+ 0 0 48 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.909 79.2 115.4 53.3 48.2 3.5 5.5 -33.3 52 52 A T < + 0 0 0 -5,-2.5 -4,-0.2 -6,-0.1 2,-0.1 0.102 35.4 132.6-128.7 17.7 5.2 4.3 -30.1 53 53 A W - 0 0 3 -6,-1.0 2,-0.2 1,-0.1 5,-0.1 -0.466 60.7-106.3 -76.1 147.0 8.7 5.7 -30.8 54 54 A L > - 0 0 14 3,-0.2 3,-1.9 -2,-0.1 -39,-0.1 -0.444 43.0 -89.3 -75.6 141.0 10.5 7.6 -28.1 55 55 A K T 3 S+ 0 0 79 -41,-1.4 -1,-0.1 1,-0.3 -40,-0.1 -0.210 114.1 11.6 -50.2 126.4 10.9 11.4 -28.3 56 56 A G T 3 S+ 0 0 57 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.706 109.3 89.7 76.4 19.4 14.1 12.2 -30.2 57 57 A S < + 0 0 47 -3,-1.9 2,-0.4 2,-0.0 -3,-0.2 -0.052 51.3 161.1-136.4 32.7 14.7 8.6 -31.3 58 58 A L + 0 0 16 -5,-0.1 50,-0.8 -10,-0.0 2,-0.3 -0.429 4.8 155.9 -63.8 114.9 12.8 8.6 -34.6 59 59 A E E - b 0 108A 65 -2,-0.4 -11,-0.4 48,-0.1 2,-0.3 -0.921 31.4-143.4-145.6 113.5 13.9 5.7 -36.8 60 60 A I E - b 0 109A 0 48,-2.2 50,-2.7 -2,-0.3 2,-0.6 -0.603 9.9-152.4 -81.7 133.0 11.7 4.2 -39.5 61 61 A D E -Ab 45 110A 28 -16,-0.7 -16,-2.4 -2,-0.3 2,-0.5 -0.916 12.5-176.6-110.6 113.2 11.8 0.5 -40.1 62 62 A V E -Ab 44 111A 1 48,-2.2 50,-2.7 -2,-0.6 2,-0.6 -0.930 8.5-160.3-109.3 125.2 10.9 -0.8 -43.6 63 63 A F E -Ab 43 112A 16 -20,-2.3 -20,-2.0 -2,-0.5 2,-0.6 -0.931 10.8-142.4-109.4 122.0 10.9 -4.5 -44.1 64 64 A L E -Ab 42 113A 1 48,-3.0 50,-1.4 -2,-0.6 2,-0.6 -0.730 14.9-141.9 -85.3 119.0 11.2 -5.8 -47.6 65 65 A L E - b 0 114A 37 -24,-1.1 -24,-0.4 -2,-0.6 50,-0.2 -0.737 23.0-176.2 -87.4 117.6 9.0 -8.9 -48.2 66 66 A F E - b 0 115A 15 48,-2.1 50,-3.6 -2,-0.6 2,-0.1 -0.808 34.5 -92.1-112.9 152.1 10.6 -11.5 -50.4 67 67 A P E > - b 0 116A 56 0, 0.0 3,-1.8 0, 0.0 50,-0.1 -0.401 34.6-123.3 -64.1 132.4 9.1 -14.8 -51.7 68 68 A E T 3 S+ 0 0 69 48,-0.6 49,-0.1 1,-0.3 47,-0.1 0.816 107.4 62.7 -43.0 -41.9 9.9 -17.8 -49.5 69 69 A E T 3 S+ 0 0 164 2,-0.0 -1,-0.3 46,-0.0 46,-0.0 0.789 79.2 106.7 -59.0 -32.8 11.6 -19.6 -52.3 70 70 A F S < S- 0 0 73 -3,-1.8 2,-0.1 1,-0.1 -4,-0.0 -0.058 75.2-111.5 -49.0 147.9 14.4 -17.0 -52.7 71 71 A S > - 0 0 51 1,-0.1 4,-2.1 4,-0.0 3,-0.3 -0.447 22.2-113.8 -80.8 155.9 17.9 -17.9 -51.4 72 72 A K H > S+ 0 0 116 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.895 118.6 54.2 -54.8 -40.7 19.4 -16.2 -48.4 73 73 A E H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.846 104.0 52.6 -63.9 -38.7 22.0 -14.7 -50.8 74 74 A E H > S+ 0 0 63 -3,-0.3 4,-3.0 1,-0.2 5,-0.4 0.915 105.0 59.6 -64.5 -40.2 19.4 -13.2 -53.1 75 75 A L H X S+ 0 0 7 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.947 109.1 38.9 -51.9 -59.1 17.8 -11.6 -50.1 76 76 A R H X S+ 0 0 86 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.911 116.2 52.3 -61.0 -43.8 20.9 -9.6 -49.1 77 77 A E H X S+ 0 0 94 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.953 116.9 37.2 -57.9 -53.2 21.8 -8.7 -52.7 78 78 A R H X S+ 0 0 72 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.909 118.2 50.0 -67.6 -41.9 18.4 -7.4 -53.6 79 79 A G H X S+ 0 0 1 -4,-2.9 4,-3.2 -5,-0.4 -2,-0.2 0.910 111.0 50.7 -61.6 -42.1 17.8 -5.8 -50.2 80 80 A L H X S+ 0 0 57 -4,-3.1 4,-3.0 -5,-0.3 -2,-0.2 0.971 113.4 44.0 -58.1 -56.6 21.2 -4.1 -50.4 81 81 A E H X S+ 0 0 104 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 117.0 45.7 -55.8 -47.7 20.5 -2.7 -53.9 82 82 A I H X S+ 0 0 2 -4,-3.0 4,-0.8 2,-0.2 -1,-0.2 0.914 113.1 51.2 -64.3 -41.5 17.0 -1.6 -52.9 83 83 A G H >X S+ 0 0 0 -4,-3.2 4,-1.2 -5,-0.3 3,-0.8 0.952 111.8 46.3 -59.7 -49.9 18.3 -0.1 -49.7 84 84 A K H 3< S+ 0 0 68 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.890 111.5 49.3 -59.8 -46.5 21.0 1.8 -51.5 85 85 A A H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.576 113.4 49.9 -72.4 -9.2 18.8 3.2 -54.3 86 86 A V H << S+ 0 0 1 -3,-0.8 2,-0.3 -4,-0.8 -1,-0.2 0.659 97.9 72.8-103.5 -20.6 16.3 4.4 -51.7 87 87 A L < - 0 0 11 -4,-1.2 17,-0.2 -3,-0.4 3,-0.2 -0.737 67.8-140.0-103.4 146.2 18.4 6.2 -49.1 88 88 A D S S+ 0 0 91 15,-1.8 2,-0.4 -2,-0.3 -1,-0.1 0.990 97.4 3.7 -60.2 -60.3 20.0 9.7 -49.4 89 89 A S E S-C 103 0A 71 14,-0.8 14,-1.5 2,-0.0 -1,-0.3 -0.980 85.0-173.7-125.6 138.8 23.1 8.5 -47.6 90 90 A Y E -C 102 0A 112 -2,-0.4 2,-0.2 12,-0.2 12,-0.2 -0.660 17.5-163.1-127.5-176.4 23.5 4.8 -46.6 91 91 A E E -C 101 0A 108 10,-1.4 10,-2.0 -2,-0.2 2,-0.5 -0.773 8.4-154.3-170.7 119.1 25.7 2.4 -44.7 92 92 A I E +C 100 0A 65 -2,-0.2 8,-0.1 8,-0.2 -2,-0.0 -0.872 34.9 138.6-101.6 131.7 25.9 -1.4 -44.7 93 93 A R + 0 0 116 6,-0.7 -1,-0.1 -2,-0.5 7,-0.1 -0.204 23.2 174.3-169.1 62.3 27.2 -3.1 -41.6 94 94 A Y - 0 0 130 1,-0.1 195,-0.1 5,-0.1 -2,-0.0 -0.053 23.6-154.2 -64.8 173.4 25.1 -6.2 -40.8 95 95 A A S S- 0 0 41 2,-0.4 -1,-0.1 193,-0.1 194,-0.1 0.613 80.9 -37.2-120.4 -35.9 26.1 -8.6 -38.0 96 96 A E S S+ 0 0 156 1,-0.2 -2,-0.1 0, 0.0 30,-0.0 0.201 136.4 54.9-157.0 -49.7 24.5 -11.8 -39.3 97 97 A H S S- 0 0 39 28,-0.0 -2,-0.4 29,-0.0 -1,-0.2 -0.886 89.2-132.0-102.2 108.7 21.2 -10.7 -41.0 98 98 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.076 38.4 150.5 -56.6 153.4 22.1 -8.1 -43.5 99 99 A Y - 0 0 82 13,-0.2 -6,-0.7 2,-0.0 2,-0.4 -0.938 37.4-115.7-176.4 162.2 20.3 -4.8 -43.8 100 100 A V E -CD 92 111A 2 11,-3.0 11,-3.1 -2,-0.3 2,-0.3 -0.944 19.1-163.1-119.4 133.3 20.9 -1.2 -44.8 101 101 A H E +CD 91 110A 32 -10,-2.0 -10,-1.4 -2,-0.4 2,-0.3 -0.807 28.0 129.5-109.1 153.2 20.7 1.9 -42.6 102 102 A G E -CD 90 109A 3 7,-1.9 7,-2.1 -2,-0.3 2,-0.4 -0.915 48.1 -88.7-171.3-162.1 20.5 5.5 -43.9 103 103 A V E -CD 89 108A 32 -14,-1.5 -15,-1.8 -2,-0.3 -14,-0.8 -0.999 22.4-171.6-138.6 133.1 18.8 8.8 -43.8 104 104 A V E > S- D 0 107A 0 3,-2.3 3,-2.9 -2,-0.4 -77,-0.1 -0.995 81.4 -20.9-124.1 125.5 15.8 10.1 -45.8 105 105 A K T 3 S- 0 0 101 -2,-0.5 -1,-0.1 1,-0.3 -78,-0.1 0.882 131.7 -48.3 39.7 48.0 14.9 13.8 -45.6 106 106 A G T 3 S+ 0 0 43 1,-0.2 2,-0.4 -79,-0.1 -1,-0.3 0.385 114.2 112.2 80.6 -3.5 16.9 13.9 -42.4 107 107 A V E < - D 0 104A 4 -3,-2.9 -3,-2.3 -84,-0.1 -1,-0.2 -0.820 69.4-112.8-108.5 147.0 15.4 10.8 -40.6 108 108 A E E -bD 59 103A 83 -50,-0.8 -48,-2.2 -2,-0.4 2,-0.3 -0.482 37.7-172.5 -72.2 140.8 17.1 7.6 -39.8 109 109 A V E -bD 60 102A 0 -7,-2.1 -7,-1.9 -50,-0.2 2,-0.5 -0.991 18.4-155.1-138.9 145.8 15.8 4.5 -41.7 110 110 A D E -bD 61 101A 17 -50,-2.7 -48,-2.2 -2,-0.3 2,-0.8 -0.924 6.3-166.5-123.6 106.6 16.4 0.8 -41.6 111 111 A V E +bD 62 100A 4 -11,-3.1 -11,-3.0 -2,-0.5 -48,-0.2 -0.842 17.8 179.3 -94.3 114.5 15.8 -1.2 -44.7 112 112 A V E -b 63 0A 12 -50,-2.7 -48,-3.0 -2,-0.8 -13,-0.2 -0.959 20.2-140.9-121.5 131.2 15.7 -4.8 -43.7 113 113 A P E +b 64 0A 3 0, 0.0 2,-0.3 0, 0.0 -48,-0.2 -0.514 31.3 156.3 -84.4 159.0 15.1 -7.8 -46.0 114 114 A C E -b 65 0A 0 -50,-1.4 -48,-2.1 -2,-0.2 2,-0.2 -0.924 43.2 -93.6-174.4 154.8 13.0 -10.8 -44.8 115 115 A Y E -b 66 0A 5 -2,-0.3 2,-0.7 -50,-0.2 10,-0.1 -0.558 33.0-128.6 -81.2 146.1 10.9 -13.6 -46.2 116 116 A K E +b 67 0A 100 -50,-3.6 -48,-0.6 -2,-0.2 2,-0.2 -0.835 43.1 161.0 -94.9 110.4 7.2 -13.1 -46.7 117 117 A L - 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0 0 7 -3,-0.2 4,-4.0 3,-0.2 5,-0.5 0.379 56.4 -92.1 94.3 129.9 36.9 -14.7 -27.5 402 402 A K H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 -2,-0.1 0.862 121.5 18.3 -36.0 -66.0 37.5 -15.4 -31.2 403 403 A N H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.862 126.0 53.4 -81.3 -39.2 38.4 -11.9 -32.3 404 404 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -3,-0.2 0.913 112.5 48.1 -62.3 -40.2 39.2 -10.4 -28.9 405 405 A G H X S+ 0 0 0 -4,-4.0 4,-2.1 2,-0.2 -2,-0.2 0.960 108.9 49.7 -65.1 -53.3 41.6 -13.3 -28.4 406 406 A E H X S+ 0 0 52 -4,-1.6 4,-1.3 -5,-0.5 -1,-0.2 0.840 112.7 50.7 -56.1 -31.8 43.4 -13.0 -31.7 407 407 A S H X S+ 0 0 11 -4,-1.9 4,-1.4 2,-0.2 -123,-0.3 0.899 108.2 49.3 -72.7 -42.1 43.8 -9.3 -31.0 408 408 A I H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.814 106.9 60.6 -65.7 -28.2 45.3 -9.8 -27.5 409 409 A R H < S+ 0 0 121 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.911 107.5 41.5 -65.7 -43.9 47.6 -12.4 -29.2 410 410 A E H < S- 0 0 140 -4,-1.3 2,-0.2 1,-0.3 -1,-0.2 0.732 135.0 -14.3 -79.0 -17.1 49.1 -9.8 -31.5 411 411 A Y < + 0 0 74 -4,-1.4 -127,-0.5 -5,-0.1 -1,-0.3 -0.802 63.3 141.7 175.8 140.5 49.3 -7.2 -28.7 412 412 A F - 0 0 37 -2,-0.2 2,-0.3 -129,-0.2 -129,-0.2 -0.938 17.5-163.2-172.8 158.6 48.1 -6.2 -25.2 413 413 A E E -I 282 0C 76 -131,-2.0 -131,-2.8 -2,-0.3 2,-0.6 -0.983 23.0-119.2-149.4 157.6 49.5 -4.6 -22.1 414 414 A I E -I 281 0C 43 -2,-0.3 2,-0.3 -133,-0.2 -133,-0.2 -0.904 29.5-165.6-105.8 116.7 48.5 -4.3 -18.4 415 415 A I E +I 280 0C 8 -135,-2.2 -135,-2.3 -2,-0.6 2,-0.3 -0.800 17.2 152.9-102.6 142.3 47.9 -0.7 -17.2 416 416 A S E > +I 279 0C 53 -2,-0.3 3,-0.6 -137,-0.2 -137,-0.2 -0.952 38.6 21.5-156.0 169.6 47.6 0.4 -13.6 417 417 A G T >> S- 0 0 32 -139,-0.7 3,-2.7 -2,-0.3 4,-1.3 -0.186 117.2 -20.1 68.2-158.7 48.1 3.4 -11.3 418 418 A E H 3> S+ 0 0 110 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.840 135.3 62.6 -52.5 -36.5 48.2 7.0 -12.4 419 419 A K H <4 S+ 0 0 143 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.591 104.3 48.7 -68.2 -9.4 48.9 5.8 -15.9 420 420 A L H X4 S+ 0 0 0 -3,-2.7 3,-1.3 2,-0.1 5,-0.3 0.750 100.1 61.0 -99.3 -31.9 45.5 4.0 -15.8 421 421 A F H 3< S+ 0 0 13 -4,-1.3 -2,-0.2 1,-0.3 5,-0.1 0.585 97.8 62.2 -72.7 -7.7 43.4 6.9 -14.6 422 422 A K T 3< S+ 0 0 166 -4,-0.6 -1,-0.3 2,-0.1 -2,-0.1 0.600 86.9 91.1 -90.3 -14.2 44.4 8.8 -17.8 423 423 A E S X S- 0 0 36 -3,-1.3 2,-1.7 1,-0.1 3,-0.6 -0.329 97.3-100.6 -74.6 163.8 42.7 6.1 -19.9 424 424 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.389 99.8 90.1 -85.2 63.1 39.0 6.6 -20.9 425 425 A V T 3> + 0 0 0 -2,-1.7 4,-2.2 -5,-0.3 5,-0.2 0.257 41.1 111.7-138.5 9.4 37.7 4.2 -18.3 426 426 A T H <> S+ 0 0 39 -3,-0.6 4,-2.2 1,-0.2 5,-0.2 0.850 79.7 53.1 -58.1 -37.3 37.0 6.4 -15.2 427 427 A A H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.948 110.3 47.1 -64.3 -46.5 33.3 6.0 -15.5 428 428 A E H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.853 111.6 51.8 -62.8 -35.4 33.5 2.2 -15.6 429 429 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 6,-0.2 0.905 110.7 47.1 -68.9 -39.8 35.9 2.2 -12.6 430 430 A C H X>S+ 0 0 20 -4,-2.2 5,-2.1 2,-0.2 4,-1.2 0.938 114.1 46.6 -66.2 -46.5 33.6 4.3 -10.5 431 431 A E H <5S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.877 112.8 52.0 -61.3 -37.5 30.6 2.2 -11.4 432 432 A M H <5S+ 0 0 7 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.759 116.3 38.2 -70.5 -28.2 32.7 -0.9 -10.7 433 433 A M H <5S- 0 0 9 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.468 108.7-118.9-103.2 -4.4 33.8 0.3 -7.2 434 434 A G T <5 + 0 0 54 -4,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.762 46.4 175.0 73.6 23.5 30.5 1.9 -6.3 435 435 A V < - 0 0 35 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.2 -0.407 17.4-151.8 -60.5 137.2 32.0 5.3 -6.0 436 436 A K 0 0 172 -3,-0.1 -1,-0.1 -2,-0.0 -5,-0.0 -0.598 360.0 360.0-112.5 177.9 29.1 7.7 -5.3 437 437 A D 0 0 161 -2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.573 360.0 360.0 118.9 360.0 28.2 11.4 -5.8