==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/RNA 25-NOV-03 1RLG . COMPND 2 MOLECULE: 25-MER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.MOORE,Y.ZHANG,M.O.FENLEY,H.LI . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.6 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 . 0 0.0 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 . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 1 0 0 1 2 2 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 7 A V 0 0 76 0, 0.0 107,-0.0 0, 0.0 67,-0.0 0.000 360.0 360.0 360.0 137.6 18.0 57.2 53.8 2 8 A P - 0 0 29 0, 0.0 4,-0.2 0, 0.0 67,-0.0 -0.154 360.0-145.8 -65.3 157.8 21.0 59.5 54.2 3 9 A E S > S+ 0 0 113 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.644 103.4 53.2 -95.7 -22.2 22.4 61.9 51.6 4 10 A D H > S+ 0 0 119 2,-0.2 4,-0.9 1,-0.2 3,-0.1 0.896 111.8 42.8 -76.5 -44.0 25.9 61.4 52.9 5 11 A M H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.745 111.3 61.5 -72.1 -23.6 25.6 57.6 52.6 6 12 A Q H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.876 97.7 51.5 -71.2 -42.5 23.9 58.3 49.2 7 13 A N H X S+ 0 0 93 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.830 107.6 58.2 -64.7 -30.3 26.8 60.0 47.5 8 14 A E H X S+ 0 0 87 -4,-0.9 4,-2.5 2,-0.2 3,-0.4 0.979 103.7 48.6 -61.3 -58.4 28.9 57.0 48.5 9 15 A A H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.3 -2,-0.2 0.904 110.0 51.5 -48.0 -52.2 26.7 54.5 46.7 10 16 A L H X S+ 0 0 23 -4,-1.9 4,-2.8 1,-0.2 -1,-0.3 0.884 109.2 52.2 -54.8 -41.1 26.7 56.6 43.5 11 17 A S H X S+ 0 0 72 -4,-1.7 4,-1.5 -3,-0.4 5,-0.3 0.973 110.9 45.8 -59.1 -56.4 30.5 56.7 43.7 12 18 A L H >X S+ 0 0 18 -4,-2.5 4,-4.0 1,-0.2 3,-0.7 0.944 113.9 50.6 -50.7 -53.4 30.7 52.9 44.0 13 19 A L H 3X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.895 106.2 53.1 -53.1 -49.4 28.3 52.5 41.2 14 20 A E H 3< S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 120.3 34.3 -61.0 -28.4 30.1 54.8 38.8 15 21 A K H XX S+ 0 0 115 -4,-1.5 3,-2.3 -3,-0.7 4,-1.2 0.810 104.4 71.8 -92.6 -39.0 33.3 52.9 39.3 16 22 A V H 3X S+ 0 0 0 -4,-4.0 4,-2.1 -5,-0.3 3,-0.4 0.843 96.3 55.1 -42.8 -40.3 31.7 49.5 39.7 17 23 A R H 3< S+ 0 0 96 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.764 97.5 62.5 -68.6 -26.0 30.9 49.7 36.0 18 24 A E H <4 S+ 0 0 128 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.868 127.1 10.0 -67.6 -36.1 34.6 50.2 35.1 19 25 A S H < S+ 0 0 42 -4,-1.2 76,-0.2 -3,-0.4 -2,-0.2 0.817 131.3 32.7-107.8 -57.1 35.5 46.8 36.6 20 26 A G S < S- 0 0 15 -4,-2.1 2,-0.4 74,-0.4 74,-0.2 0.228 89.0 -87.0 -83.7-151.5 32.3 44.8 37.3 21 27 A K E -A 93 0A 114 72,-1.3 72,-2.0 2,-0.0 71,-1.7 -0.983 33.5-172.2-131.2 138.6 28.9 44.8 35.6 22 28 A V E -A 91 0A 25 -2,-0.4 2,-0.5 69,-0.3 69,-0.3 -0.943 14.5-145.5-129.0 147.4 25.8 46.9 36.1 23 29 A K E -A 90 0A 56 67,-3.2 67,-2.7 -2,-0.3 2,-0.4 -0.960 17.8-158.6-113.7 129.6 22.3 46.8 34.7 24 30 A K E +A 89 0A 95 -2,-0.5 4,-0.3 65,-0.2 65,-0.2 -0.917 49.6 38.1-114.8 130.5 20.5 50.1 34.0 25 31 A G S > S- 0 0 23 63,-2.5 4,-3.1 -2,-0.4 5,-0.2 0.179 81.8 -97.6 108.2 134.3 16.7 50.6 33.8 26 32 A T H > S+ 0 0 18 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.850 119.6 57.5 -48.7 -43.2 13.8 49.2 35.7 27 33 A N H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.968 116.4 32.3 -55.5 -56.7 13.1 46.6 33.0 28 34 A E H > S+ 0 0 87 -4,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.831 118.2 56.7 -70.8 -31.4 16.6 45.0 33.2 29 35 A T H X S+ 0 0 0 -4,-3.1 4,-1.7 2,-0.2 3,-0.4 0.937 108.9 45.4 -64.3 -47.5 16.9 45.8 36.9 30 36 A T H X S+ 0 0 15 -4,-3.1 4,-2.6 1,-0.3 3,-0.4 0.961 111.6 50.2 -59.9 -54.0 13.7 43.9 37.8 31 37 A K H < S+ 0 0 102 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.3 0.693 108.0 60.2 -59.7 -14.8 14.6 40.9 35.6 32 38 A A H <>S+ 0 0 7 -4,-0.6 5,-2.2 -3,-0.4 6,-0.5 0.915 107.3 39.4 -79.5 -46.8 17.9 41.1 37.5 33 39 A V H ><5S+ 0 0 1 -4,-1.7 3,-2.0 -3,-0.4 -2,-0.2 0.878 110.6 60.5 -70.7 -36.6 16.6 40.5 41.0 34 40 A E T 3<5S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.732 107.2 47.4 -62.3 -22.1 14.1 37.9 39.7 35 41 A R T 3 5S- 0 0 156 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.132 113.8-117.1-106.4 20.0 17.1 35.9 38.5 36 42 A G T < 5S+ 0 0 60 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.742 86.1 112.8 52.2 29.9 19.0 36.2 41.8 37 43 A L < + 0 0 101 -5,-2.2 2,-0.9 -6,-0.1 -4,-0.2 0.292 39.2 113.0-111.0 8.5 21.9 38.1 40.1 38 44 A A + 0 0 12 -6,-0.5 54,-0.2 1,-0.2 3,-0.2 -0.714 33.3 172.4 -87.8 102.9 21.2 41.4 41.8 39 45 A K S S- 0 0 79 52,-2.0 2,-0.3 -2,-0.9 -1,-0.2 0.988 75.9 -5.0 -68.8 -60.3 24.1 42.2 44.2 40 46 A L E -B 91 0A 0 51,-1.4 51,-2.7 25,-0.1 2,-0.4 -0.989 67.3-149.3-136.6 145.0 22.8 45.7 44.9 41 47 A V E -Bc 90 67A 0 25,-2.5 27,-3.2 -2,-0.3 2,-0.4 -0.950 5.0-156.7-120.6 134.1 19.9 47.7 43.6 42 48 A Y E -Bc 89 68A 0 47,-4.4 47,-2.6 -2,-0.4 2,-0.4 -0.870 9.6-172.2-107.2 139.1 19.6 51.5 43.3 43 49 A I E -Bc 88 69A 1 25,-2.8 27,-3.7 -2,-0.4 2,-0.3 -0.997 17.4-136.7-133.3 133.6 16.3 53.3 43.2 44 50 A A E - c 0 70A 2 43,-2.0 27,-0.2 -2,-0.4 3,-0.2 -0.649 4.8-152.6 -86.7 146.5 15.6 57.0 42.4 45 51 A E S S+ 0 0 97 25,-2.8 2,-1.6 26,-0.5 26,-0.2 0.800 83.7 72.0 -87.5 -31.1 13.1 58.8 44.6 46 52 A D + 0 0 54 25,-1.2 27,-0.3 24,-0.4 2,-0.3 -0.426 67.1 148.6 -85.1 62.9 12.1 61.4 42.1 47 53 A V - 0 0 24 -2,-1.6 40,-0.0 -3,-0.2 6,-0.0 -0.726 49.1-131.9-100.1 152.1 10.0 59.1 39.8 48 54 A D S S+ 0 0 121 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.641 94.6 12.0 -50.4 -46.7 7.0 60.3 37.7 49 55 A P - 0 0 46 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.220 62.1-154.1 29.1 130.3 4.9 57.6 38.7 50 56 A P S >> S+ 0 0 72 0, 0.0 4,-3.0 0, 0.0 3,-1.8 0.183 89.5 78.8 81.4 -80.4 5.7 55.4 41.2 51 57 A E T 34 S+ 0 0 149 1,-0.3 4,-0.2 2,-0.2 -3,-0.0 0.662 91.4 60.9 -57.8 -9.2 3.6 52.7 39.6 52 58 A I T 34 S+ 0 0 74 1,-0.1 -1,-0.3 2,-0.1 35,-0.0 0.740 123.6 12.6 -89.3 -25.0 6.7 52.4 37.3 53 59 A V T X4 S+ 0 0 11 -3,-1.8 3,-1.2 2,-0.1 -2,-0.2 0.378 96.7 103.2-131.0 -1.1 9.2 51.4 40.0 54 60 A A T 3X S+ 0 0 58 -4,-3.0 4,-0.6 1,-0.2 -3,-0.1 0.768 74.2 61.5 -55.9 -33.7 7.0 50.6 43.0 55 61 A H H 3> S+ 0 0 79 -5,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.771 88.6 73.3 -68.1 -27.6 7.3 46.9 42.7 56 62 A L H <> S+ 0 0 0 -3,-1.2 4,-2.2 1,-0.2 5,-0.3 0.929 85.9 59.9 -54.0 -55.3 11.0 46.9 43.2 57 63 A P H > S+ 0 0 21 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.898 112.4 40.5 -38.6 -56.8 11.1 47.6 47.0 58 64 A L H X S+ 0 0 95 -4,-0.6 4,-1.7 1,-0.2 5,-0.3 0.979 111.0 54.8 -57.6 -64.1 9.1 44.5 47.7 59 65 A L H X S+ 0 0 17 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.755 108.4 51.0 -43.2 -36.2 10.8 42.1 45.2 60 66 A C H >X>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 3,-0.9 0.963 108.0 48.0 -71.1 -53.4 14.3 42.9 46.7 61 67 A E H 3<5S+ 0 0 111 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.762 116.9 46.2 -60.3 -22.7 13.4 42.3 50.4 62 68 A E H 3<5S+ 0 0 119 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.625 112.5 48.6 -94.2 -14.1 11.8 39.0 49.3 63 69 A K H <<5S- 0 0 105 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.333 113.8-116.0-103.2 4.8 14.7 38.0 47.0 64 70 A N T <5S+ 0 0 150 -4,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.834 71.5 135.8 64.1 35.4 17.2 38.8 49.8 65 71 A V < - 0 0 11 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.961 55.0-118.8-120.0 130.8 18.8 41.6 47.7 66 72 A P - 0 0 32 0, 0.0 -25,-2.5 0, 0.0 2,-0.4 -0.387 26.6-166.3 -67.3 136.6 19.7 45.0 49.1 67 73 A Y E -c 41 0A 38 -27,-0.2 2,-0.4 -2,-0.1 -25,-0.2 -0.978 2.7-162.6-127.9 139.3 18.1 48.2 47.7 68 74 A I E -c 42 0A 5 -27,-3.2 -25,-2.8 -2,-0.4 2,-0.4 -0.968 13.6-136.1-124.1 137.5 19.2 51.8 48.2 69 75 A Y E -c 43 0A 78 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.763 20.9-165.4 -93.8 134.1 17.1 54.9 47.6 70 76 A V E -c 44 0A 0 -27,-3.7 -25,-2.8 -2,-0.4 -24,-0.4 -0.906 22.9-126.1-121.2 148.3 18.7 57.9 45.8 71 77 A K S S+ 0 0 92 -2,-0.3 -25,-1.2 -27,-0.2 -26,-0.5 0.970 87.2 22.9 -52.3 -74.9 17.6 61.6 45.5 72 78 A S > - 0 0 21 -27,-0.2 4,-1.6 -28,-0.1 3,-0.2 -0.805 57.4-145.9-106.2 143.9 17.5 62.2 41.7 73 79 A K H > S+ 0 0 60 -2,-0.3 13,-2.2 -27,-0.3 4,-0.8 0.734 103.2 63.1 -71.5 -23.3 17.2 59.8 38.8 74 80 A N H > S+ 0 0 68 11,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.890 102.1 48.9 -67.7 -40.1 19.5 62.1 36.9 75 81 A D H > S+ 0 0 57 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.927 110.0 49.5 -64.8 -45.5 22.2 61.4 39.3 76 82 A L H X S+ 0 0 0 -4,-1.6 4,-1.2 10,-0.2 -1,-0.3 0.757 110.7 57.7 -63.9 -21.3 21.6 57.7 39.0 77 83 A G H <>S+ 0 0 2 -4,-0.8 5,-1.9 2,-0.2 3,-0.4 0.979 106.5 40.6 -73.2 -58.5 21.8 58.5 35.3 78 84 A R H <5S+ 0 0 162 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.711 110.9 61.1 -65.4 -17.6 25.2 60.0 35.1 79 85 A A H <5S+ 0 0 2 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.920 102.8 50.0 -71.8 -42.8 26.5 57.3 37.5 80 86 A V T <5S- 0 0 12 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.486 116.8-115.1 -73.7 -2.7 25.5 54.7 35.0 81 87 A G T 5S+ 0 0 49 -3,-0.4 2,-0.2 -4,-0.4 -3,-0.2 0.847 73.0 137.0 69.4 32.3 27.4 56.5 32.3 82 88 A I < - 0 0 60 -5,-1.9 -1,-0.3 -6,-0.1 4,-0.1 -0.697 56.3-143.2-108.5 161.1 24.0 57.1 30.5 83 89 A E S S+ 0 0 189 -2,-0.2 -5,-0.1 -3,-0.1 -1,-0.1 0.773 84.3 63.6 -92.5 -33.5 22.7 60.3 28.9 84 90 A V S S- 0 0 79 -7,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.674 99.7 -94.6 -93.2 145.5 19.1 59.8 29.9 85 91 A P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 -11,-0.3 -0.294 38.9-139.5 -58.6 143.5 18.0 59.9 33.6 86 92 A C - 0 0 6 -13,-2.2 -10,-0.2 1,-0.1 -9,-0.2 -0.917 13.8-164.8-110.1 131.9 17.7 56.4 35.1 87 93 A A S S+ 0 0 23 -2,-0.5 -43,-2.0 1,-0.3 2,-0.3 0.653 75.1 1.6 -87.6 -16.1 14.9 55.5 37.4 88 94 A S E - B 0 43A 0 -45,-0.2 -63,-2.5 -15,-0.1 2,-0.3 -0.948 60.9-175.3-169.5 147.0 16.5 52.3 38.8 89 95 A A E -AB 24 42A 0 -47,-2.6 -47,-4.4 -2,-0.3 2,-0.4 -0.988 8.2-159.2-148.4 154.1 19.7 50.3 38.5 90 96 A A E -AB 23 41A 0 -67,-2.7 -67,-3.2 -2,-0.3 2,-0.5 -0.988 14.0-142.2-140.0 126.9 21.1 47.0 39.8 91 97 A I E -AB 22 40A 0 -51,-2.7 -52,-2.0 -2,-0.4 -51,-1.4 -0.778 17.2-179.8 -88.5 124.3 24.8 46.0 40.0 92 98 A I E S+ 0 0 30 -71,-1.7 2,-0.4 -2,-0.5 -70,-0.2 0.636 71.1 37.2 -99.3 -17.6 25.3 42.3 39.1 93 99 A N E -A 21 0A 69 -72,-2.0 -72,-1.3 1,-0.1 -1,-0.3 -0.914 61.0-160.2-140.7 109.8 29.0 42.1 39.5 94 100 A E > - 0 0 47 -2,-0.4 3,-0.8 1,-0.2 -74,-0.4 0.808 32.4-179.5 -56.7 -33.7 30.9 43.9 42.3 95 101 A G G > - 0 0 19 1,-0.2 3,-0.9 -76,-0.2 -1,-0.2 -0.444 61.2 -11.1 72.3-136.0 34.2 43.6 40.4 96 102 A E G 3 S+ 0 0 157 1,-0.2 -1,-0.2 -2,-0.2 4,-0.1 0.113 135.4 60.9 -88.1 22.2 37.3 45.0 41.9 97 103 A L G <> + 0 0 8 -3,-0.8 4,-1.5 -81,-0.1 5,-0.3 0.381 64.7 118.1-124.1 -5.6 35.2 46.9 44.5 98 104 A R H X> S+ 0 0 129 -3,-0.9 4,-2.9 1,-0.2 3,-1.4 0.814 82.3 38.2 -27.1 -70.8 33.6 43.8 46.2 99 105 A K H 3> S+ 0 0 138 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.936 114.4 54.8 -51.4 -52.8 35.0 44.4 49.7 100 106 A E H 34 S+ 0 0 100 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.676 114.9 43.3 -57.1 -17.2 34.6 48.2 49.3 101 107 A L H XX S+ 0 0 13 -4,-1.5 4,-1.9 -3,-1.4 3,-1.1 0.814 98.9 67.2 -96.1 -41.7 30.9 47.4 48.6 102 108 A G H 3X S+ 0 0 38 -4,-2.9 4,-1.2 1,-0.3 -2,-0.2 0.783 99.1 56.1 -50.4 -29.7 30.3 44.7 51.2 103 109 A S H 3X S+ 0 0 62 -4,-1.3 4,-1.6 1,-0.2 -1,-0.3 0.856 104.7 50.6 -70.9 -37.9 30.7 47.5 53.8 104 110 A L H <> S+ 0 0 2 -3,-1.1 4,-1.3 -4,-0.3 -2,-0.2 0.830 103.5 61.3 -68.4 -32.3 28.0 49.6 52.1 105 111 A V H X S+ 0 0 33 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.892 107.3 43.6 -60.7 -41.9 25.7 46.5 52.2 106 112 A E H X S+ 0 0 134 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.849 105.3 61.8 -73.8 -36.3 25.8 46.5 56.0 107 113 A K H < S+ 0 0 124 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.807 110.3 41.5 -60.5 -30.7 25.4 50.2 56.4 108 114 A I H >< S+ 0 0 8 -4,-1.3 3,-2.1 2,-0.2 -1,-0.2 0.903 115.1 48.7 -81.6 -46.4 22.0 50.0 54.7 109 115 A K H >X S+ 0 0 130 -4,-1.8 3,-0.8 1,-0.3 4,-0.7 0.770 109.1 55.5 -63.4 -25.9 21.0 46.8 56.6 110 116 A G T 3< S+ 0 0 41 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.255 97.2 67.0 -89.4 12.2 22.1 48.5 59.7 111 117 A L T <4 S+ 0 0 84 -3,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.357 104.9 39.3-109.9 0.3 19.7 51.3 58.8 112 118 A Q T <4 0 0 120 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.519 360.0 360.0-123.5 -16.7 16.6 49.2 59.3 113 119 A K < 0 0 220 -4,-0.7 -2,-0.1 0, 0.0 -3,-0.1 0.879 360.0 360.0 -38.8 360.0 17.4 47.1 62.4 114 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 2 B Y 0 0 119 0, 0.0 2,-0.1 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 5.3 -14.9 19.8 -0.3 116 3 B V - 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0 0 20 -2,-0.3 3,-0.9 1,-0.2 2,-0.6 0.590 27.3-160.6 -69.1 -7.8 -34.9 37.7 5.7 214 101 B G T 3 - 0 0 17 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 -0.520 68.7 -7.8 68.4-111.9 -37.2 40.6 6.4 215 102 B E T 3 S+ 0 0 133 -2,-0.6 -1,-0.2 1,-0.2 3,-0.2 0.004 117.0 84.2-108.4 25.4 -40.5 39.7 4.7 216 103 B L <> + 0 0 16 -3,-0.9 4,-2.6 1,-0.2 5,-0.3 -0.069 48.4 133.9-114.2 30.5 -39.4 36.6 2.9 217 104 B R H > S+ 0 0 160 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.916 74.5 42.7 -42.6 -56.3 -39.9 34.5 6.0 218 105 B K H > S+ 0 0 164 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.901 111.3 49.7 -63.0 -49.1 -41.7 31.8 3.9 219 106 B E H > S+ 0 0 84 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.873 115.1 47.9 -60.2 -35.2 -39.4 31.7 0.8 220 107 B L H X S+ 0 0 8 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.895 112.4 46.3 -71.3 -42.5 -36.5 31.3 3.2 221 108 B G H X S+ 0 0 30 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.934 110.4 54.7 -64.7 -44.0 -38.0 28.6 5.3 222 109 B S H X S+ 0 0 53 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.829 110.1 46.0 -56.8 -38.1 -39.1 26.8 2.2 223 110 B L H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.872 107.5 56.5 -74.7 -39.2 -35.5 26.8 0.9 224 111 B V H X S+ 0 0 41 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.891 105.9 53.3 -60.3 -36.7 -34.1 25.7 4.3 225 112 B E H X S+ 0 0 139 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.934 107.2 49.4 -63.4 -46.5 -36.4 22.7 4.1 226 113 B K H X S+ 0 0 100 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.844 108.3 54.9 -62.8 -32.4 -35.2 21.7 0.6 227 114 B I H >< S+ 0 0 6 -4,-2.0 3,-1.3 1,-0.2 4,-0.4 0.907 106.9 48.6 -68.8 -39.3 -31.6 21.9 1.9 228 115 B K H >< S+ 0 0 168 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.860 103.0 65.6 -66.8 -30.6 -32.3 19.5 4.7 229 116 B G H 3< S+ 0 0 62 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.705 91.9 61.8 -62.7 -19.5 -33.9 17.4 2.1 230 117 B L T << 0 0 56 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.670 360.0 360.0 -81.5 -16.5 -30.4 16.9 0.5 231 118 B Q < 0 0 139 -3,-1.5 -113,-0.1 -4,-0.4 -3,-0.0 -0.207 360.0 360.0 -69.5 360.0 -29.0 15.2 3.6