==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 17-NOV-10 2L69 . COMPND 2 MOLECULE: ROSSMANN 2X3 FOLD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR G.LIU,N.KOGA,R.KOGA,R.XIAO,A.MAO,B.MAO,D.PATEL,C.CICCOSANTI, . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 85.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.0 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 0 0 0 0 0 0 0 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 107 0, 0.0 77,-0.1 0, 0.0 123,-0.1 0.000 360.0 360.0 360.0 160.7 2.2 8.7 10.6 2 2 A N - 0 0 56 75,-0.2 77,-1.1 76,-0.0 2,-0.3 -0.168 360.0-157.7 -66.9 159.4 3.0 5.4 8.7 3 3 A I E -a 79 0A 9 75,-0.2 51,-0.8 49,-0.2 2,-0.3 -0.999 3.7-153.9-142.8 141.1 1.5 4.5 5.3 4 4 A V E -ab 80 54A 8 75,-3.0 77,-2.6 -2,-0.3 2,-0.4 -0.897 4.4-156.7-117.1 145.1 0.9 1.2 3.4 5 5 A I E -ab 81 55A 0 49,-2.4 51,-2.3 -2,-0.3 2,-0.6 -0.973 1.6-164.2-125.8 121.8 0.7 0.7 -0.4 6 6 A V E -ab 82 56A 1 75,-2.6 77,-2.5 -2,-0.4 2,-0.6 -0.907 8.7-169.5-106.2 117.3 -1.1 -2.3 -2.1 7 7 A V E -ab 83 57A 0 49,-2.3 51,-2.6 -2,-0.6 77,-0.1 -0.911 17.5-173.4-112.9 116.1 -0.2 -2.9 -5.8 8 8 A F + 0 0 26 75,-2.4 2,-0.8 -2,-0.6 76,-0.1 0.566 61.3 103.9 -78.6 -9.8 -2.2 -5.4 -7.9 9 9 A S - 0 0 10 74,-0.3 6,-0.2 1,-0.2 50,-0.1 -0.657 48.3-175.3 -78.8 107.4 0.3 -4.9 -10.8 10 10 A T + 0 0 97 -2,-0.8 2,-0.5 49,-0.1 -1,-0.2 0.588 59.2 102.1 -74.7 -11.5 2.6 -8.0 -10.9 11 11 A D >> - 0 0 96 1,-0.1 4,-1.3 -3,-0.0 3,-0.6 -0.653 69.6-146.5 -77.9 124.0 4.4 -6.1 -13.7 12 12 A E H 3> S+ 0 0 74 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.856 91.3 67.7 -60.3 -39.0 7.7 -4.6 -12.3 13 13 A E H 3> S+ 0 0 136 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.878 102.9 44.9 -51.7 -45.7 7.5 -1.5 -14.6 14 14 A T H <> S+ 0 0 33 -3,-0.6 4,-1.3 1,-0.2 3,-0.5 0.939 114.0 48.6 -63.8 -47.7 4.4 -0.1 -12.9 15 15 A L H X S+ 0 0 16 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.819 101.8 66.6 -61.3 -31.8 5.9 -0.8 -9.4 16 16 A R H X S+ 0 0 147 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.910 98.4 50.6 -57.0 -46.0 9.1 0.9 -10.5 17 17 A K H X S+ 0 0 95 -4,-1.2 4,-2.4 -3,-0.5 -1,-0.2 0.928 110.4 50.5 -57.0 -46.0 7.3 4.3 -10.8 18 18 A F H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.944 111.6 46.2 -58.2 -51.5 5.9 3.8 -7.2 19 19 A K H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.869 112.1 52.3 -60.2 -38.7 9.4 3.0 -5.7 20 20 A D H X S+ 0 0 85 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.935 109.6 47.1 -65.2 -47.5 11.0 5.9 -7.6 21 21 A I H X S+ 0 0 15 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.870 112.7 51.8 -62.9 -38.1 8.4 8.5 -6.3 22 22 A I H ><>S+ 0 0 0 -4,-2.1 3,-1.5 -5,-0.2 5,-1.4 0.985 111.9 42.4 -61.7 -60.0 8.8 7.1 -2.7 23 23 A K H ><5S+ 0 0 118 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.793 103.3 70.7 -60.8 -27.5 12.6 7.3 -2.5 24 24 A K H 3<5S+ 0 0 117 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.878 100.0 46.6 -51.8 -40.6 12.3 10.8 -4.2 25 25 A N T <<5S- 0 0 28 -3,-1.5 -1,-0.3 -4,-0.9 102,-0.2 0.517 126.3-104.6 -83.3 -6.2 10.9 12.0 -0.9 26 26 A G T < 5S+ 0 0 47 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.575 74.8 136.9 96.0 11.4 13.7 10.3 1.0 27 27 A F < - 0 0 23 -5,-1.4 -1,-0.3 1,-0.1 25,-0.2 -0.594 51.1-122.5 -91.6 152.1 11.7 7.3 2.4 28 28 A K E -c 52 0A 110 23,-2.7 25,-3.0 -2,-0.2 2,-0.3 -0.524 27.0-140.7 -86.7 160.4 12.8 3.7 2.5 29 29 A V E -c 53 0A 48 23,-0.2 2,-0.3 -2,-0.2 25,-0.2 -0.923 17.7-171.4-128.0 146.6 10.8 0.9 0.8 30 30 A R E -c 54 0A 49 23,-1.7 25,-2.4 -2,-0.3 2,-0.8 -0.895 12.3-156.6-135.5 110.3 9.8 -2.8 1.5 31 31 A T E -c 55 0A 36 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.744 16.0-149.3 -87.0 107.3 8.1 -4.8 -1.3 32 32 A V E +c 56 0A 1 23,-2.2 25,-1.9 -2,-0.8 -2,-0.0 -0.588 31.8 159.5 -79.2 133.1 6.1 -7.6 0.4 33 33 A R + 0 0 142 -2,-0.3 -1,-0.1 1,-0.3 23,-0.1 0.395 68.2 36.1-126.0 -6.7 5.7 -10.9 -1.5 34 34 A S S >> S- 0 0 56 1,-0.1 3,-1.0 0, 0.0 4,-0.7 -0.989 83.3-111.1-148.0 152.0 4.8 -13.2 1.4 35 35 A P H >> S+ 0 0 83 0, 0.0 4,-2.0 0, 0.0 3,-1.3 0.876 117.9 52.4 -53.1 -43.6 2.8 -12.9 4.7 36 36 A Q H 3> S+ 0 0 145 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.809 99.5 64.7 -64.1 -28.7 5.9 -13.1 6.9 37 37 A E H <4 S+ 0 0 54 -3,-1.0 4,-0.4 2,-0.2 -1,-0.3 0.743 106.9 43.5 -65.0 -23.4 7.4 -10.3 4.8 38 38 A L H XX S+ 0 0 9 -3,-1.3 4,-1.0 -4,-0.7 3,-0.7 0.914 116.4 43.9 -83.4 -53.1 4.6 -8.1 6.2 39 39 A K H >X S+ 0 0 92 -4,-2.0 4,-2.1 1,-0.2 3,-0.6 0.899 107.5 61.1 -56.7 -43.0 4.8 -9.3 9.8 40 40 A D H 3X S+ 0 0 57 -4,-3.1 4,-1.4 1,-0.3 -1,-0.2 0.810 96.5 60.8 -57.6 -31.9 8.6 -9.1 9.8 41 41 A S H <> S+ 0 0 11 -3,-0.7 4,-2.6 -4,-0.4 -1,-0.3 0.924 106.7 45.0 -60.7 -43.9 8.3 -5.4 9.1 42 42 A I H X S+ 0 0 79 -4,-1.4 4,-3.2 -3,-0.2 3,-1.5 0.909 110.3 56.4 -77.9 -47.2 11.7 -4.5 12.9 45 45 A L H 3< S+ 0 0 55 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.829 101.3 57.5 -57.4 -36.2 9.5 -1.5 13.8 46 46 A V T 3< S+ 0 0 102 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.749 117.0 35.8 -66.9 -22.4 9.1 -2.7 17.4 47 47 A K T <4 S+ 0 0 161 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.875 138.1 3.8 -93.6 -51.9 13.0 -2.6 17.6 48 48 A K < - 0 0 128 -4,-3.2 2,-0.9 2,-0.1 -1,-0.3 -0.958 63.2-157.9-141.0 120.0 13.7 0.5 15.4 49 49 A Y + 0 0 207 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.811 28.7 155.2-103.4 97.3 11.1 2.7 13.8 50 50 A N - 0 0 107 -2,-0.9 2,-1.1 2,-0.0 -2,-0.1 -0.827 57.9 -75.8-117.1 160.4 12.6 4.6 10.8 51 51 A A + 0 0 33 -2,-0.3 -23,-2.7 -25,-0.1 2,-0.4 -0.342 69.2 147.8 -61.4 92.3 10.8 6.0 7.7 52 52 A T E - c 0 28A 36 -2,-1.1 2,-0.6 -25,-0.2 -23,-0.2 -0.942 35.7-151.7-131.0 112.3 10.0 2.9 5.6 53 53 A I E - c 0 29A 3 -25,-3.0 -23,-1.7 -2,-0.4 2,-0.6 -0.716 16.5-142.2 -82.4 121.3 6.9 2.7 3.4 54 54 A V E -bc 4 30A 6 -51,-0.8 -49,-2.4 -2,-0.6 2,-0.7 -0.746 12.6-164.2 -90.6 118.7 5.8 -0.9 3.0 55 55 A V E -bc 5 31A 0 -25,-2.4 -23,-2.2 -2,-0.6 2,-0.8 -0.881 5.4-156.1-105.9 107.0 4.5 -1.8 -0.5 56 56 A V E -bc 6 32A 1 -51,-2.3 -49,-2.3 -2,-0.7 2,-0.7 -0.731 7.7-154.5 -84.3 110.2 2.5 -5.1 -0.6 57 57 A V E -b 7 0A 34 -25,-1.9 2,-0.3 -2,-0.8 -49,-0.2 -0.772 18.0-170.9 -88.7 117.1 2.6 -6.5 -4.1 58 58 A V - 0 0 1 -51,-2.6 3,-0.1 -2,-0.7 -25,-0.0 -0.839 29.6-168.7-116.3 145.8 -0.5 -8.7 -4.7 59 59 A D S S+ 0 0 115 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.701 81.6 19.8 -98.9 -29.3 -1.5 -11.1 -7.5 60 60 A D S > S- 0 0 69 1,-0.0 4,-1.6 0, 0.0 -1,-0.2 -0.931 79.5-110.5-137.0 167.3 -5.2 -11.5 -6.4 61 61 A K H > S+ 0 0 99 -2,-0.3 4,-1.7 1,-0.2 -1,-0.0 0.756 114.7 54.7 -70.1 -25.2 -7.7 -9.7 -4.2 62 62 A E H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.862 105.5 51.4 -78.2 -36.9 -7.7 -12.4 -1.4 63 63 A W H > S+ 0 0 34 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.888 109.9 51.8 -61.1 -38.3 -3.9 -12.2 -1.1 64 64 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.908 108.0 51.7 -60.6 -42.8 -4.6 -8.4 -0.7 65 65 A E H X S+ 0 0 19 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.937 101.5 60.6 -56.8 -49.6 -7.1 -9.3 2.0 66 66 A K H X S+ 0 0 119 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.873 107.7 45.6 -46.6 -44.8 -4.5 -11.5 3.8 67 67 A A H >X S+ 0 0 3 -4,-1.4 4,-2.6 2,-0.2 3,-0.6 0.954 113.8 46.7 -64.7 -51.5 -2.4 -8.4 4.3 68 68 A I H 3X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.809 107.8 58.5 -63.0 -29.6 -5.3 -6.1 5.4 69 69 A R H 3X S+ 0 0 111 -4,-3.0 4,-0.7 2,-0.2 -1,-0.2 0.824 109.4 44.2 -69.4 -32.1 -6.4 -8.8 7.8 70 70 A F H XX S+ 0 0 56 -4,-1.1 4,-0.9 -3,-0.6 3,-0.8 0.919 112.3 50.6 -74.5 -47.7 -3.0 -8.7 9.5 71 71 A V H >X S+ 0 0 8 -4,-2.6 4,-1.3 1,-0.3 3,-0.9 0.883 104.4 59.7 -57.1 -38.8 -2.9 -4.8 9.5 72 72 A K H 3< S+ 0 0 111 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.851 100.8 55.6 -55.6 -35.2 -6.4 -5.0 11.1 73 73 A S H << S+ 0 0 98 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.749 99.5 60.9 -70.8 -24.7 -4.8 -7.0 13.9 74 74 A L H << S- 0 0 79 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.860 87.0-159.5 -71.2 -38.0 -2.3 -4.1 14.4 75 75 A G < + 0 0 61 -4,-1.3 -1,-0.1 1,-0.2 -3,-0.1 0.033 43.7 125.9 87.4 -29.7 -5.2 -1.7 15.2 76 76 A A - 0 0 42 -5,-0.2 2,-0.6 -2,-0.1 -1,-0.2 -0.125 68.0-104.0 -63.4 159.8 -3.2 1.5 14.5 77 77 A Q + 0 0 140 -3,-0.1 2,-0.3 25,-0.1 -75,-0.2 -0.771 51.1 160.6 -89.7 115.9 -4.5 4.2 12.0 78 78 A V - 0 0 15 -2,-0.6 2,-0.4 23,-0.1 25,-0.3 -0.984 39.2-119.2-135.9 147.6 -2.6 4.1 8.7 79 79 A L E -a 3 0A 26 -77,-1.1 -75,-3.0 -2,-0.3 2,-0.5 -0.703 27.0-158.1 -83.3 134.0 -3.3 5.4 5.1 80 80 A I E -ad 4 104A 0 23,-1.6 25,-2.6 -2,-0.4 2,-0.6 -0.931 4.2-163.0-121.1 110.4 -3.5 2.6 2.5 81 81 A I E -ad 5 105A 0 -77,-2.6 -75,-2.6 -2,-0.5 2,-0.4 -0.810 13.2-169.3 -91.5 122.7 -2.9 3.5 -1.2 82 82 A I E -ad 6 106A 0 23,-2.4 25,-2.5 -2,-0.6 2,-0.5 -0.918 7.3-160.2-118.6 139.1 -4.2 0.7 -3.6 83 83 A Y E +ad 7 107A 15 -77,-2.5 -75,-2.4 -2,-0.4 2,-0.3 -0.967 24.2 142.9-122.5 124.1 -3.5 0.4 -7.4 84 84 A D - 0 0 18 23,-0.9 -2,-0.0 -2,-0.5 7,-0.0 -0.982 46.7-132.3-154.6 151.8 -5.6 -1.7 -9.8 85 85 A Q S S+ 0 0 156 -2,-0.3 2,-0.5 1,-0.1 23,-0.1 0.525 90.4 68.7 -84.2 -6.3 -6.7 -1.2 -13.5 86 86 A D >> - 0 0 84 1,-0.1 4,-2.9 2,-0.0 3,-1.1 -0.931 60.3-162.4-120.3 112.3 -10.4 -2.2 -12.8 87 87 A Q H 3>>S+ 0 0 99 -2,-0.5 4,-2.1 1,-0.3 5,-0.7 0.863 94.1 65.0 -54.8 -37.3 -12.6 0.1 -10.7 88 88 A N H 345S+ 0 0 142 3,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.867 117.2 26.7 -52.6 -39.7 -15.0 -2.9 -10.2 89 89 A R H <>5S+ 0 0 145 -3,-1.1 4,-3.0 3,-0.1 5,-0.4 0.931 124.7 47.0 -85.8 -61.4 -12.1 -4.5 -8.2 90 90 A L H X5S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -3,-0.2 0.898 117.2 41.9 -47.6 -54.3 -10.2 -1.5 -6.9 91 91 A E H X5S+ 0 0 78 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.2 0.819 117.0 48.3 -70.2 -30.6 -13.2 0.4 -5.6 92 92 A E H >S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 -2,-0.2 0.912 115.3 46.0 -54.6 -45.7 -10.3 -1.9 3.8 98 98 A R H ><5S+ 0 0 185 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.916 109.5 53.7 -65.1 -44.6 -12.3 1.2 4.6 99 99 A R H 3<5S+ 0 0 176 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 101.4 62.0 -59.6 -28.5 -14.9 -0.7 6.7 100 100 A R T 3<5S- 0 0 57 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.313 127.7 -96.1 -85.6 10.2 -12.0 -2.2 8.7 101 101 A G T < 5S+ 0 0 60 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.507 87.1 123.1 94.4 6.0 -11.0 1.4 9.9 102 102 A F < - 0 0 6 -5,-1.8 2,-1.0 -25,-0.1 -1,-0.2 -0.890 61.1-133.1-107.6 119.0 -8.3 2.1 7.3 103 103 A E - 0 0 136 -2,-0.6 -23,-1.6 -25,-0.3 2,-0.3 -0.551 32.3-161.6 -70.4 100.9 -8.7 5.3 5.1 104 104 A V E -d 80 0A 16 -2,-1.0 2,-0.5 -10,-0.2 -23,-0.2 -0.682 11.3-158.4 -92.4 136.9 -7.9 3.8 1.7 105 105 A R E -d 81 0A 109 -25,-2.6 -23,-2.4 -2,-0.3 2,-0.4 -0.965 10.6-149.8-116.2 122.8 -6.8 5.9 -1.4 106 106 A T E -d 82 0A 56 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.758 11.9-170.9 -98.0 133.0 -7.3 4.4 -4.8 107 107 A V E -d 83 0A 6 -25,-2.5 -23,-0.9 -2,-0.4 -2,-0.0 -0.973 15.7-176.8-126.5 137.5 -5.0 5.3 -7.8 108 108 A T S S+ 0 0 63 -2,-0.4 -1,-0.1 1,-0.2 -25,-0.1 0.699 71.6 31.5-103.2 -27.8 -5.5 4.4 -11.5 109 109 A S S > S- 0 0 49 1,-0.1 4,-2.3 -95,-0.0 5,-0.2 -0.952 77.8-115.5-134.1 154.7 -2.3 5.8 -13.1 110 110 A P H > S+ 0 0 43 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.874 117.4 50.3 -54.7 -42.2 1.4 6.4 -12.0 111 111 A D H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 108.7 51.4 -65.1 -39.7 1.0 10.2 -12.3 112 112 A D H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 112.6 46.7 -62.6 -40.2 -2.2 10.1 -10.2 113 113 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.920 110.1 54.5 -62.9 -45.3 -0.3 8.1 -7.6 114 114 A K H X S+ 0 0 87 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.931 113.6 40.4 -53.8 -50.8 2.6 10.6 -7.9 115 115 A K H X S+ 0 0 137 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.949 117.3 47.1 -65.6 -50.9 0.3 13.6 -7.1 116 116 A S H X S+ 0 0 28 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.891 112.5 50.0 -61.2 -42.3 -1.7 11.8 -4.4 117 117 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.946 107.7 53.0 -61.7 -50.0 1.4 10.5 -2.6 118 118 A E H X S+ 0 0 40 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.878 114.3 44.8 -51.1 -41.2 3.0 14.0 -2.6 119 119 A R H >X S+ 0 0 170 -4,-1.9 4,-1.7 2,-0.2 3,-0.5 0.985 114.1 45.8 -66.3 -60.4 -0.1 15.3 -0.9 120 120 A L H 3X>S+ 0 0 6 -4,-2.9 4,-3.2 1,-0.2 5,-0.6 0.886 107.9 57.6 -53.7 -46.1 -0.6 12.5 1.6 121 121 A I H 3X5S+ 0 0 5 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.903 110.3 43.9 -53.0 -43.8 3.1 12.6 2.7 122 122 A R H <<5S+ 0 0 189 -4,-1.1 -1,-0.2 -3,-0.5 4,-0.2 0.797 120.5 42.5 -72.6 -28.1 2.8 16.3 3.6 123 123 A E H <5S+ 0 0 129 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.956 118.7 38.5 -81.9 -57.0 -0.6 15.7 5.4 124 124 A V H <5S- 0 0 38 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.769 130.0 -76.1 -69.8 -28.2 -0.0 12.5 7.3 125 125 A G << - 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