==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 10-JUL-02 1M5X . COMPND 2 MOLECULE: 5'-D(*GP*CP*AP*GP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.CHEVALIER,M.TURMEL,C.LEMIEUX,R.J.MONNAT,B.L.STODDARD . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 73.3 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 . 44 13.7 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 . 2 0.6 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 . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 0 0 0 0 2 4 0 0 2 0 0 4 0 0 0 0 0 0 0 0 0 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 . 0 0 2 0 0 0 2 0 2 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 6 A T 0 0 166 0, 0.0 2,-0.6 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 171.1 60.6 107.1 69.4 2 7 A L - 0 0 31 4,-0.1 58,-0.0 1,-0.0 57,-0.0 -0.603 360.0-140.5 -73.7 112.5 57.0 107.8 70.6 3 8 A Q >> - 0 0 102 -2,-0.6 4,-2.4 1,-0.1 3,-0.6 -0.309 20.0-108.6 -74.1 156.7 56.0 105.1 73.1 4 9 A P H 3> S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.891 118.3 47.5 -48.5 -50.9 52.5 103.5 73.2 5 10 A T H 3> S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.770 110.4 53.6 -66.9 -26.0 51.4 105.2 76.4 6 11 A E H <> S+ 0 0 54 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.943 111.5 44.0 -73.0 -47.5 52.7 108.6 75.2 7 12 A A H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 113.1 53.2 -62.7 -39.4 50.6 108.3 72.0 8 13 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.942 111.3 45.8 -60.4 -47.6 47.7 107.1 74.0 9 14 A Y H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.935 112.3 49.5 -60.1 -50.2 47.9 110.1 76.3 10 15 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.909 110.8 51.1 -58.8 -40.8 48.3 112.6 73.5 11 16 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 86,-0.3 0.906 111.3 47.3 -62.7 -43.3 45.3 111.1 71.7 12 17 A G H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.905 114.0 47.5 -63.5 -42.4 43.2 111.4 74.9 13 18 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.858 111.9 50.3 -66.8 -37.7 44.4 114.9 75.4 14 19 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.894 106.4 54.4 -68.1 -40.4 43.6 115.7 71.8 15 20 A D H < S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.780 118.7 39.5 -62.0 -25.1 40.1 114.2 72.1 16 21 A G H < S+ 0 0 11 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.2 0.942 135.2 5.6 -88.2 -73.7 39.7 116.6 75.0 17 22 A D H < S+ 0 0 44 -4,-2.3 27,-1.9 -5,-0.1 -3,-0.2 0.127 112.0 84.9-102.6 21.4 41.3 120.0 74.3 18 23 A G E < -A 43 0A 10 -4,-1.6 2,-0.3 -5,-0.3 25,-0.3 -0.542 57.5-142.6-116.7-177.2 42.3 119.6 70.7 19 24 A S E -A 42 0A 32 23,-2.5 23,-2.2 -2,-0.2 2,-0.5 -1.000 6.2-163.6-147.7 142.6 41.0 119.9 67.2 20 25 A I E +A 41 0A 0 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.976 35.8 151.1-125.3 114.2 41.4 118.0 63.9 21 26 A Y E -A 40 0A 69 19,-2.1 19,-1.9 -2,-0.5 2,-0.3 -0.948 33.0-152.0-145.6 163.3 40.1 120.1 60.9 22 27 A A E -A 39 0A 2 -2,-0.3 2,-0.3 108,-0.2 17,-0.2 -0.948 16.9-170.5-132.5 151.6 40.5 120.8 57.2 23 28 A K E -A 38 0A 99 15,-2.3 15,-3.2 -2,-0.3 2,-0.6 -0.995 24.3-127.5-148.1 155.2 39.9 124.0 55.3 24 29 A L E -A 37 0A 23 -2,-0.3 13,-0.2 13,-0.2 -2,-0.0 -0.896 27.1-161.6-102.4 116.4 39.6 125.4 51.8 25 30 A I E -A 36 0A 41 11,-3.0 11,-1.8 -2,-0.6 2,-0.1 -0.884 17.6-127.4-105.3 120.1 41.8 128.5 51.3 26 31 A P E -A 35 0A 89 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.428 23.4-169.3 -64.3 131.2 41.1 130.8 48.4 27 32 A R > - 0 0 76 7,-3.3 3,-1.1 -2,-0.1 8,-0.0 -0.818 12.4-179.7-127.1 91.9 44.3 131.3 46.4 28 33 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.818 87.3 54.9 -57.3 -33.3 43.9 134.2 43.8 29 34 A D T 3 S+ 0 0 123 -3,-0.1 5,-0.0 5,-0.1 -2,-0.0 0.739 86.0 103.3 -74.6 -24.1 47.4 133.6 42.7 30 35 A Y S < S- 0 0 53 -3,-1.1 4,-0.2 1,-0.1 6,-0.0 -0.061 73.4-128.8 -55.7 167.2 46.8 129.9 42.0 31 36 A K S S- 0 0 125 2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.775 77.9 -18.1-100.6 -27.8 46.3 128.9 38.3 32 37 A D S S+ 0 0 101 1,-0.2 2,-0.8 3,-0.1 128,-0.1 0.447 133.8 48.8-145.3 -37.6 43.1 126.9 37.7 33 38 A I S S- 0 0 8 84,-0.1 2,-1.9 2,-0.1 -2,-0.2 -0.873 73.1-164.5-107.3 93.8 42.0 125.6 41.0 34 39 A K + 0 0 97 -2,-0.8 -7,-3.3 -4,-0.2 2,-0.3 -0.133 57.8 83.7 -78.9 46.3 42.2 128.7 43.1 35 40 A Y E -A 26 0A 34 -2,-1.9 2,-0.4 -9,-0.3 -3,-0.1 -0.988 57.7-155.5-145.3 151.4 42.1 126.9 46.4 36 41 A Q E -A 25 0A 46 -11,-1.8 -11,-3.0 -2,-0.3 2,-0.6 -0.998 19.6-136.4-128.0 129.8 44.5 125.1 48.7 37 42 A V E -A 24 0A 10 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.803 23.7-159.9 -87.8 120.5 43.2 122.4 51.0 38 43 A S E -A 23 0A 14 -15,-3.2 -15,-2.3 -2,-0.6 2,-0.4 -0.850 5.9-166.4-104.2 138.0 44.8 123.0 54.4 39 44 A L E +A 22 0A 14 -2,-0.4 42,-2.3 -17,-0.2 2,-0.3 -0.960 17.5 147.1-126.2 143.3 45.0 120.2 57.0 40 45 A A E -AB 21 80A 1 -19,-1.9 -19,-2.1 -2,-0.4 2,-0.3 -0.996 32.6-150.1-166.7 162.1 45.9 120.4 60.7 41 46 A I E -AB 20 79A 0 38,-1.5 38,-2.9 -2,-0.3 2,-0.3 -0.940 26.1-176.0-131.1 152.6 45.5 119.2 64.2 42 47 A S E -AB 19 78A 8 -23,-2.2 -23,-2.5 -2,-0.3 2,-0.4 -0.989 21.5-145.8-150.2 158.0 45.9 121.5 67.2 43 48 A F E -AB 18 77A 0 34,-2.1 34,-2.3 -2,-0.3 2,-0.4 -0.955 19.7-161.9-121.9 142.9 46.0 121.4 71.0 44 49 A I E + B 0 76A 48 -27,-1.9 2,-0.3 -2,-0.4 32,-0.2 -0.975 17.5 155.1-129.1 141.9 44.6 124.4 72.9 45 50 A Q E - B 0 75A 14 30,-2.6 30,-3.4 -2,-0.4 5,-0.0 -0.988 49.9 -81.4-161.9 154.2 45.2 125.4 76.5 46 51 A R E > - B 0 74A 81 -2,-0.3 3,-3.1 28,-0.2 28,-0.2 -0.394 51.4-113.4 -57.6 135.0 45.3 128.4 78.9 47 52 A K G > S+ 0 0 91 26,-2.3 3,-2.4 1,-0.3 -1,-0.1 0.758 113.7 65.4 -47.1 -37.3 48.7 130.1 78.5 48 53 A D G 3 S+ 0 0 89 1,-0.3 -1,-0.3 25,-0.3 -2,-0.1 0.742 101.6 53.8 -58.8 -18.7 49.9 129.2 82.1 49 54 A K G X> S+ 0 0 40 -3,-3.1 3,-1.0 1,-0.2 4,-0.8 0.158 72.1 114.9-101.0 18.3 49.8 125.6 80.8 50 55 A F H X> + 0 0 31 -3,-2.4 4,-2.2 1,-0.2 3,-0.9 0.851 65.0 66.9 -56.1 -37.5 52.0 126.3 77.8 51 56 A P H 3> S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.847 95.8 55.5 -55.2 -34.9 54.8 124.1 79.2 52 57 A Y H <> S+ 0 0 72 -3,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.822 106.8 50.4 -68.2 -30.3 52.6 121.0 78.7 53 58 A L H <>S+ 0 0 53 -4,-3.0 5,-2.5 1,-0.2 3,-0.9 0.948 108.2 46.0 -49.4 -55.9 55.6 119.2 70.8 58 63 A D H ><5S+ 0 0 74 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.913 110.4 52.4 -55.9 -47.2 58.9 117.5 71.8 59 64 A Q H 3<5S+ 0 0 54 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.737 105.9 56.1 -64.2 -21.0 57.3 114.1 71.9 60 65 A L T <<5S- 0 0 10 -4,-1.6 3,-0.4 -3,-0.9 -1,-0.3 0.132 128.7 -94.6 -96.8 19.0 55.9 114.6 68.4 61 66 A G T < 5 - 0 0 51 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.645 63.9 -75.4 80.9 15.7 59.4 115.3 67.0 62 67 A K S S- 0 0 23 -42,-2.3 4,-2.5 -2,-0.3 5,-0.2 0.292 77.4 -89.8 94.7 146.2 50.5 119.8 56.4 82 87 A S H > S+ 0 0 53 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.844 116.1 67.0 -58.2 -36.4 50.6 116.3 55.0 83 88 A T H > S+ 0 0 97 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.956 113.5 27.8 -51.8 -56.1 54.4 116.1 55.8 84 89 A H H >> S+ 0 0 53 -4,-0.4 4,-2.5 -3,-0.2 3,-0.6 0.907 122.6 51.3 -73.8 -42.4 53.9 116.2 59.6 85 90 A L H 3X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.818 100.0 62.6 -66.5 -31.0 50.4 114.6 59.7 86 91 A S H 3< S+ 0 0 56 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.854 115.1 35.0 -64.1 -28.6 51.4 111.7 57.5 87 92 A I H X S+ 0 0 4 -4,-2.5 4,-1.2 2,-0.2 3,-1.0 0.955 106.3 54.9 -77.0 -54.8 51.8 111.8 63.4 89 94 A L H >X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.3 3,-0.6 0.856 102.1 58.6 -53.0 -39.1 48.2 110.8 62.8 90 95 A P H 34 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.905 106.7 50.3 -58.4 -36.5 49.1 107.1 62.2 91 96 A D H << S+ 0 0 78 -3,-1.0 -2,-0.2 -4,-0.6 4,-0.1 0.761 118.6 37.0 -70.5 -26.1 50.7 107.1 65.7 92 97 A L H XX S+ 0 0 0 -4,-1.2 3,-2.0 -3,-0.6 4,-1.6 0.820 95.9 79.5 -96.3 -34.1 47.6 108.6 67.3 93 98 A V T 3< S+ 0 0 17 -4,-3.1 3,-0.2 1,-0.3 -2,-0.1 0.819 86.7 57.9 -45.6 -46.6 44.7 107.0 65.3 94 99 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.831 116.6 37.6 -58.9 -25.0 44.7 103.7 67.1 95 100 A Y T <4 S+ 0 0 60 -3,-2.0 -2,-0.2 -4,-0.1 -3,-0.1 0.678 92.3 102.6 -98.1 -20.4 44.1 105.6 70.4 96 101 A L < + 0 0 2 -4,-1.6 -84,-0.1 -3,-0.2 -85,-0.1 -0.359 34.9 162.5 -64.9 142.5 41.8 108.4 69.2 97 102 A R S > S+ 0 0 55 -86,-0.3 3,-1.0 3,-0.1 4,-0.4 0.586 71.3 32.8-122.0 -72.1 38.1 107.9 70.1 98 103 A I T 3 S+ 0 0 16 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.885 134.0 29.7 -58.0 -42.3 36.1 111.1 69.8 99 104 A K T 3> S+ 0 0 25 -88,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.251 86.7 108.7-105.1 15.3 38.1 112.5 66.9 100 105 A K H <> S+ 0 0 73 -3,-1.0 4,-2.0 1,-0.2 5,-0.2 0.902 78.3 52.2 -57.8 -44.7 39.2 109.2 65.3 101 106 A K H > S+ 0 0 110 -4,-0.4 4,-2.5 -3,-0.3 3,-0.4 0.965 107.9 50.4 -55.7 -55.5 36.9 109.7 62.3 102 107 A Q H > S+ 0 0 11 1,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.869 108.7 54.6 -50.3 -40.7 38.2 113.2 61.5 103 108 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.902 108.4 46.8 -62.4 -43.1 41.7 111.7 61.7 104 109 A N H X S+ 0 0 66 -4,-2.0 4,-2.6 -3,-0.4 -2,-0.2 0.887 109.5 54.2 -68.0 -37.4 40.9 109.1 59.1 105 110 A R H X S+ 0 0 69 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.924 107.8 50.5 -61.7 -44.6 39.3 111.7 56.8 106 111 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.927 110.8 49.0 -58.0 -46.9 42.5 113.8 57.0 107 112 A L H X S+ 0 0 40 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.921 109.9 51.8 -61.4 -39.8 44.6 110.7 56.1 108 113 A H H X S+ 0 0 97 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.971 109.2 50.1 -60.1 -50.3 42.2 110.0 53.2 109 114 A I H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.909 107.0 55.6 -53.4 -44.7 42.6 113.5 51.9 110 115 A I H < S+ 0 0 24 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.898 108.7 46.0 -58.9 -40.9 46.4 113.2 52.1 111 116 A N H < S+ 0 0 134 -4,-2.0 4,-0.3 -3,-0.3 -1,-0.2 0.831 115.9 45.6 -73.7 -28.0 46.4 110.1 49.9 112 117 A L H >X S+ 0 0 67 -4,-1.9 4,-0.9 -5,-0.2 3,-0.6 0.771 94.6 79.9 -83.0 -26.9 44.0 111.6 47.3 113 118 A Y H >X S+ 0 0 68 -4,-2.2 4,-2.4 -5,-0.2 3,-0.8 0.832 79.7 62.0 -52.3 -47.9 45.7 115.0 47.1 114 119 A P H 34 S+ 0 0 85 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.904 114.7 35.0 -49.1 -44.6 48.6 114.3 44.7 115 120 A Q H <4 S+ 0 0 140 -3,-0.6 -2,-0.2 -4,-0.3 7,-0.2 0.562 118.5 52.2 -87.6 -9.1 46.3 113.3 41.9 116 121 A A H X< S+ 0 0 2 -4,-0.9 3,-1.5 -3,-0.8 7,-0.3 0.705 85.5 84.5 -96.8 -22.3 43.6 115.8 42.7 117 122 A Q T 3< S+ 0 0 23 -4,-2.4 -84,-0.1 1,-0.3 -2,-0.1 0.855 105.9 24.2 -53.0 -43.2 45.8 118.9 42.9 118 123 A K T 3 S+ 0 0 139 -4,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.366 108.6 79.7-122.7 60.9 45.7 119.5 39.1 119 124 A N X> - 0 0 61 -3,-1.5 4,-2.6 1,-0.1 3,-1.1 -0.643 61.3-155.1-162.3 93.3 42.4 117.8 38.1 120 125 A P H 3> S+ 0 0 32 0, 0.0 4,-1.7 0, 0.0 41,-0.1 0.786 94.3 50.2 -39.3 -44.5 39.1 119.7 38.8 121 126 A S H 3> S+ 0 0 64 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.856 113.8 43.1 -71.6 -34.3 37.0 116.6 39.0 122 127 A K H <> S+ 0 0 106 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.837 109.2 59.2 -78.8 -31.2 39.3 114.8 41.5 123 128 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 -7,-0.3 -2,-0.2 0.898 102.2 54.2 -62.7 -39.3 39.6 118.0 43.5 124 129 A L H X S+ 0 0 8 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.895 105.6 51.2 -62.6 -41.6 35.8 118.1 44.0 125 130 A D H X S+ 0 0 81 -4,-1.1 4,-0.9 1,-0.2 -1,-0.2 0.880 110.7 50.4 -62.8 -34.7 35.7 114.6 45.4 126 131 A L H X S+ 0 0 1 -4,-1.7 4,-1.1 1,-0.2 3,-0.5 0.871 105.7 55.7 -70.4 -34.3 38.5 115.7 47.8 127 132 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 21,-0.2 0.836 99.1 61.4 -67.5 -31.1 36.4 118.8 48.7 128 133 A K H X S+ 0 0 90 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.855 103.5 49.8 -61.8 -33.4 33.6 116.5 49.7 129 134 A I H X S+ 0 0 19 -4,-0.9 4,-2.0 -3,-0.5 -1,-0.2 0.791 106.4 56.4 -75.6 -26.8 35.9 115.0 52.3 130 135 A V H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -108,-0.2 0.934 107.9 47.0 -68.8 -44.6 36.7 118.4 53.5 131 136 A D H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 14,-0.3 0.919 108.8 56.2 -61.0 -44.1 33.0 119.2 54.1 132 137 A D H X S+ 0 0 61 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.942 108.6 46.6 -52.7 -51.1 32.6 115.9 55.9 133 138 A V H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.886 112.5 49.3 -61.3 -40.4 35.4 116.8 58.4 134 139 A Q H < S+ 0 0 47 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.873 112.8 48.0 -68.0 -35.0 34.0 120.3 59.0 135 140 A N H >< S+ 0 0 27 -4,-2.8 3,-2.6 1,-0.2 -2,-0.2 0.893 103.1 60.3 -71.4 -40.6 30.5 118.8 59.6 136 141 A L H 3< S+ 0 0 57 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.765 104.3 53.8 -56.9 -24.3 31.9 116.1 62.0 137 142 A N T 3< S+ 0 0 53 -4,-0.8 -1,-0.3 -3,-0.2 2,-0.3 0.165 99.8 83.2 -96.2 17.9 33.0 119.1 64.0 138 143 A K S < S- 0 0 63 -3,-2.6 2,-0.1 4,-0.1 6,-0.0 -0.844 81.0-111.7-119.7 157.5 29.5 120.7 64.1 139 144 A R > - 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