==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE, DNA BINDING PROTEIN 01-NOV-12 4HTO . COMPND 2 MOLECULE: DNA LIGASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.E.DE IOANNES,A.K.AGGARWAL . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 3 0 1 0 1 1 2 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL 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 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 S 0 0 62 0, 0.0 2,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 172.0 -14.4 26.4 13.4 2 8 A Q + 0 0 118 3,-0.0 53,-0.9 4,-0.0 2,-0.3 -0.470 360.0 15.6 84.7 -64.7 -15.9 23.7 11.2 3 9 A T B -a 55 0A 29 -2,-1.5 4,-0.2 51,-0.2 53,-0.1 -0.973 54.4-128.9-143.9 161.8 -18.4 25.5 8.9 4 10 A V S >> S+ 0 0 0 51,-1.2 3,-2.1 -2,-0.3 4,-1.7 0.903 111.7 59.3 -66.1 -40.8 -19.7 28.8 7.5 5 11 A A T 34 S+ 0 0 1 1,-0.3 127,-1.7 52,-0.2 126,-0.8 0.818 99.1 58.6 -59.1 -30.5 -23.2 27.8 8.5 6 12 A S T 34 S+ 0 0 24 1,-0.2 -1,-0.3 125,-0.2 -2,-0.2 0.570 112.4 39.1 -76.1 -9.6 -22.0 27.6 12.1 7 13 A H T <4 S+ 0 0 73 -3,-2.1 -2,-0.2 -4,-0.2 -1,-0.2 0.644 96.5 84.0-114.8 -19.7 -20.9 31.3 12.0 8 14 A V S < S- 0 0 1 -4,-1.7 123,-2.1 1,-0.0 124,-0.3 -0.742 80.5-121.7 -85.7 128.2 -23.7 33.0 10.0 9 15 A P B >> -B 130 0B 46 0, 0.0 4,-0.9 0, 0.0 3,-0.7 -0.358 7.9-129.8 -72.8 149.2 -26.7 34.0 12.1 10 16 A F H 3> S+ 0 0 0 119,-3.3 4,-2.0 1,-0.2 3,-0.3 0.833 109.7 66.0 -58.2 -33.4 -30.2 32.7 11.3 11 17 A A H 3> S+ 0 0 34 118,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.862 93.4 57.8 -56.7 -40.7 -31.2 36.4 11.6 12 18 A D H <> S+ 0 0 54 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.901 107.9 46.5 -57.4 -43.3 -29.1 37.3 8.5 13 19 A L H X S+ 0 0 1 -4,-0.9 4,-2.5 -3,-0.3 -1,-0.2 0.924 114.1 46.2 -68.5 -45.3 -31.0 34.8 6.4 14 20 A C H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.867 108.3 57.5 -63.6 -38.9 -34.4 36.0 7.6 15 21 A S H X S+ 0 0 72 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.868 111.2 43.7 -56.5 -37.4 -33.3 39.6 7.1 16 22 A T H X S+ 0 0 21 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.913 109.0 54.0 -78.8 -45.9 -32.7 38.7 3.5 17 23 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.829 109.5 51.7 -57.3 -33.9 -35.8 36.7 2.9 18 24 A E H X S+ 0 0 39 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.965 109.3 47.2 -66.2 -51.9 -37.7 39.7 4.2 19 25 A R H X S+ 0 0 35 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.838 113.6 51.7 -63.0 -31.9 -36.0 42.2 1.8 20 26 A I H >< S+ 0 0 6 -4,-2.6 3,-0.6 2,-0.2 -1,-0.2 0.962 114.0 38.3 -65.6 -57.4 -36.6 39.7 -1.1 21 27 A Q H 3< S+ 0 0 46 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.854 114.6 57.0 -67.4 -32.4 -40.4 39.2 -0.6 22 28 A K H 3< S+ 0 0 89 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.726 93.5 86.2 -71.0 -24.1 -40.9 42.8 0.3 23 29 A S S << S- 0 0 10 -4,-0.9 2,-0.5 -3,-0.6 6,-0.0 -0.492 73.7-133.7 -82.3 147.5 -39.3 44.0 -3.0 24 30 A K + 0 0 90 -2,-0.2 4,-0.4 4,-0.0 -2,-0.1 -0.869 67.4 28.7 -94.8 129.7 -41.2 44.5 -6.2 25 31 A G S > S- 0 0 43 -2,-0.5 4,-1.5 2,-0.1 5,-0.1 0.134 80.6 -97.7 105.3 147.9 -39.5 43.0 -9.3 26 32 A R H > S+ 0 0 169 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.833 116.0 59.4 -66.6 -31.9 -37.1 40.3 -10.3 27 33 A A H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.978 108.1 38.5 -62.7 -62.3 -34.2 42.7 -10.3 28 34 A E H > S+ 0 0 67 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.853 114.0 58.7 -60.6 -33.8 -34.3 43.9 -6.7 29 35 A K H X S+ 0 0 18 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.944 109.5 42.9 -58.6 -48.1 -35.1 40.4 -5.6 30 36 A I H X S+ 0 0 46 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.911 109.1 58.0 -64.9 -45.4 -31.9 39.0 -7.2 31 37 A R H X S+ 0 0 135 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.924 109.6 44.8 -47.7 -52.5 -29.8 41.9 -5.9 32 38 A H H X S+ 0 0 20 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.842 113.7 48.2 -65.2 -38.7 -30.9 41.0 -2.3 33 39 A F H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.920 111.7 50.6 -67.8 -42.6 -30.3 37.2 -2.8 34 40 A R H X S+ 0 0 63 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.833 103.8 60.0 -61.7 -35.0 -26.9 38.0 -4.4 35 41 A E H X S+ 0 0 102 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.915 106.6 46.6 -58.0 -44.0 -26.1 40.2 -1.3 36 42 A F H X S+ 0 0 5 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.912 110.6 52.3 -66.3 -41.7 -26.6 37.1 0.8 37 43 A L H X S+ 0 0 8 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.929 111.3 46.6 -56.9 -47.0 -24.4 35.1 -1.5 38 44 A D H X S+ 0 0 85 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.847 111.4 52.6 -64.0 -36.4 -21.7 37.7 -1.3 39 45 A S H X S+ 0 0 26 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.927 104.9 54.7 -66.3 -47.1 -22.0 37.8 2.5 40 46 A W H X S+ 0 0 10 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.903 110.4 46.0 -50.8 -47.8 -21.6 34.0 2.8 41 47 A R H X S+ 0 0 79 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.831 107.1 58.0 -70.7 -31.0 -18.4 34.1 0.9 42 48 A K H X S+ 0 0 134 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.887 106.7 49.1 -66.3 -38.3 -17.2 37.1 3.0 43 49 A F H X S+ 0 0 53 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.935 109.2 52.8 -61.3 -48.9 -17.6 34.9 6.1 44 50 A H H X S+ 0 0 32 -4,-2.0 4,-2.1 1,-0.2 10,-0.2 0.915 110.5 47.4 -48.9 -51.6 -15.7 32.1 4.4 45 51 A D H X S+ 0 0 88 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.872 110.3 51.9 -61.6 -39.1 -12.8 34.4 3.7 46 52 A A H X S+ 0 0 48 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.882 108.7 51.4 -69.1 -37.3 -12.8 35.8 7.2 47 53 A L H ><>S+ 0 0 18 -4,-2.4 5,-2.1 2,-0.2 3,-0.5 0.926 110.6 47.0 -63.4 -44.5 -12.6 32.3 8.7 48 54 A H H ><5S+ 0 0 67 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 0.822 108.4 55.5 -71.1 -27.5 -9.7 31.3 6.5 49 55 A K H 3<5S+ 0 0 97 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.761 109.2 48.9 -71.5 -23.2 -8.0 34.5 7.4 50 56 A N T <<5S- 0 0 114 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.302 123.4-107.7 -99.0 6.3 -8.5 33.4 11.1 51 57 A H T < 5S+ 0 0 165 -3,-0.8 2,-0.6 1,-0.2 -3,-0.2 0.794 77.7 129.0 77.0 34.6 -7.0 29.9 10.3 52 58 A K < - 0 0 92 -5,-2.1 2,-1.7 -6,-0.1 -1,-0.2 -0.976 50.2-149.4-117.4 108.6 -10.2 27.9 10.4 53 59 A D + 0 0 145 -2,-0.6 2,-0.1 -3,-0.1 -5,-0.1 -0.568 33.1 166.4 -84.7 78.7 -10.3 25.8 7.3 54 60 A V - 0 0 6 -2,-1.7 2,-0.3 -10,-0.2 -51,-0.2 -0.441 36.9-112.7 -88.8 162.8 -14.1 25.6 6.8 55 61 A T B -a 3 0A 86 -53,-0.9 -51,-1.2 -2,-0.1 -1,-0.1 -0.754 14.5-141.4 -92.0 147.7 -16.1 24.5 3.8 56 62 A D + 0 0 73 -2,-0.3 2,-0.1 -53,-0.1 -1,-0.1 -0.080 40.5 157.7 -98.4 32.4 -18.2 27.1 2.0 57 63 A S - 0 0 56 1,-0.2 -52,-0.2 2,-0.0 -53,-0.1 -0.399 28.7-163.2 -59.3 127.9 -21.1 24.7 1.3 58 64 A F >> + 0 0 11 1,-0.2 3,-2.5 -2,-0.1 4,-2.5 0.602 67.2 98.7 -89.2 -12.5 -24.3 26.9 0.8 59 65 A Y H 3> S+ 0 0 100 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.776 70.9 63.4 -47.6 -40.8 -26.5 23.9 1.4 60 66 A P H 34 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.802 117.3 31.4 -54.5 -29.1 -27.3 24.8 5.0 61 67 A A H X> S+ 0 0 0 -3,-2.5 4,-1.8 2,-0.1 3,-1.1 0.802 114.1 57.6 -95.5 -40.9 -28.9 27.9 3.6 62 68 A M H 3X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.3 3,-0.4 0.936 102.8 57.6 -58.5 -41.5 -30.2 26.7 0.3 63 69 A R H 3< S+ 0 0 20 -4,-2.7 -1,-0.3 1,-0.3 6,-0.2 0.740 111.3 42.4 -60.9 -23.7 -32.2 24.0 2.2 64 70 A L H <4 S+ 0 0 1 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.698 111.7 53.0 -93.3 -22.6 -33.9 26.8 4.1 65 71 A I H < S+ 0 0 5 -4,-1.8 -2,-0.2 -3,-0.4 -3,-0.2 0.827 123.9 28.8 -78.4 -33.4 -34.5 29.1 1.2 66 72 A L S >< S+ 0 0 8 -4,-2.5 3,-2.0 -5,-0.2 -1,-0.3 -0.536 74.6 163.2-124.0 63.9 -36.1 26.3 -0.7 67 73 A P G > + 0 0 2 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.714 67.1 69.6 -63.1 -20.2 -37.6 24.2 2.1 68 74 A Q G 3 S+ 0 0 89 1,-0.3 -4,-0.1 110,-0.2 -5,-0.1 0.417 95.7 54.7 -80.3 4.5 -40.0 22.4 -0.3 69 75 A L G < S+ 0 0 75 -3,-2.0 -1,-0.3 -6,-0.2 2,-0.2 0.301 76.8 128.9-111.6 1.6 -37.0 20.6 -1.8 70 76 A E < + 0 0 17 -3,-1.5 -6,-0.0 -4,-0.2 -7,-0.0 -0.404 17.6 152.6 -55.7 120.0 -35.8 19.3 1.6 71 77 A R + 0 0 226 -2,-0.2 -1,-0.2 4,-0.0 4,-0.1 0.479 59.3 66.6-132.5 -6.2 -35.3 15.6 1.2 72 78 A E S S+ 0 0 130 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.942 99.2 56.5 -76.9 -53.1 -32.7 14.8 3.8 73 79 A R S S- 0 0 13 1,-0.1 3,-0.1 70,-0.0 66,-0.1 -0.561 86.5-133.7 -74.5 143.0 -35.0 15.7 6.7 74 80 A M - 0 0 103 -2,-0.2 68,-0.1 1,-0.2 69,-0.1 -0.145 50.7 -49.3 -78.5-174.2 -38.3 13.8 6.8 75 81 A A - 0 0 60 1,-0.1 -1,-0.2 67,-0.1 70,-0.1 -0.300 45.5-135.3 -61.0 140.3 -41.7 15.4 7.5 76 82 A Y - 0 0 13 100,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.852 19.8-144.0 -66.5 -36.1 -41.9 17.8 10.4 77 83 A G + 0 0 15 1,-0.2 2,-1.1 68,-0.1 -1,-0.1 0.579 53.4 137.9 79.7 10.0 -45.2 16.4 11.7 78 84 A I - 0 0 12 98,-0.1 -1,-0.2 75,-0.0 2,-0.2 -0.757 39.2-161.4 -95.4 94.0 -46.1 20.0 12.7 79 85 A K >> - 0 0 140 -2,-1.1 3,-1.3 1,-0.1 4,-1.1 -0.540 28.6-119.0 -72.9 142.5 -49.7 20.6 11.8 80 86 A E H 3> S+ 0 0 100 1,-0.3 4,-0.7 -2,-0.2 -1,-0.1 0.651 113.6 58.8 -60.9 -16.4 -50.6 24.3 11.7 81 87 A T H 3> S+ 0 0 113 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.829 96.7 59.3 -79.4 -36.4 -53.1 23.8 14.4 82 88 A M H <> S+ 0 0 54 -3,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.876 100.8 58.6 -57.5 -38.9 -50.5 22.5 16.9 83 89 A L H X S+ 0 0 8 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.858 98.7 57.7 -58.0 -41.3 -48.6 25.8 16.5 84 90 A A H X S+ 0 0 18 -4,-0.7 4,-1.9 -3,-0.4 -1,-0.2 0.902 104.3 49.2 -62.2 -44.3 -51.6 27.8 17.7 85 91 A K H X S+ 0 0 66 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.811 109.7 54.1 -67.0 -30.1 -51.9 26.1 21.1 86 92 A L H X S+ 0 0 39 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.913 110.7 43.6 -69.5 -45.5 -48.2 26.5 21.7 87 93 A Y H X S+ 0 0 18 -4,-1.9 4,-1.2 2,-0.2 6,-0.3 0.811 108.0 59.9 -68.9 -32.7 -48.2 30.3 21.1 88 94 A I H <>S+ 0 0 31 -4,-1.9 5,-2.2 -5,-0.2 -1,-0.2 0.918 115.6 34.8 -59.5 -43.5 -51.4 30.7 23.2 89 95 A E H ><5S+ 0 0 151 -4,-1.4 3,-1.2 3,-0.2 -2,-0.2 0.857 104.2 70.2 -80.4 -38.0 -49.5 29.3 26.2 90 96 A L H 3<5S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.812 120.9 19.6 -56.6 -33.9 -46.0 30.7 25.5 91 97 A L T 3<5S- 0 0 59 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.179 109.6-124.1-116.9 13.7 -47.2 34.1 26.4 92 98 A N T < 5 + 0 0 76 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.831 42.5 176.1 51.5 46.5 -50.3 32.8 28.2 93 99 A L < - 0 0 36 -5,-2.2 -1,-0.2 -6,-0.3 2,-0.1 -0.563 37.3 -97.9 -80.0 146.7 -52.9 34.7 26.3 94 100 A P > - 0 0 99 0, 0.0 3,-0.8 0, 0.0 6,-0.3 -0.397 38.6-110.8 -70.3 139.1 -56.6 33.9 27.2 95 101 A R T 3 S+ 0 0 92 1,-0.2 3,-0.1 -2,-0.1 6,-0.0 -0.359 102.1 23.1 -66.7 147.2 -58.5 31.4 25.0 96 102 A D T 3 S+ 0 0 101 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.852 98.3 135.5 60.2 36.9 -61.2 32.9 22.8 97 103 A G S <> S- 0 0 25 -3,-0.8 4,-1.8 -4,-0.0 5,-0.3 -0.457 73.9 -87.2-102.6-179.6 -59.5 36.3 23.0 98 104 A K H > S+ 0 0 95 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.933 128.2 27.3 -53.7 -54.3 -58.8 38.8 20.3 99 105 A D H > S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.750 114.3 66.4 -81.3 -26.8 -55.5 37.3 19.2 100 106 A A H > S+ 0 0 19 -6,-0.3 4,-0.8 1,-0.2 -2,-0.2 0.876 103.2 43.4 -64.4 -41.4 -56.3 33.8 20.2 101 107 A L H X S+ 0 0 58 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.833 105.6 62.3 -75.5 -33.9 -59.1 33.2 17.7 102 108 A K H >< S+ 0 0 44 -4,-0.7 3,-0.7 -5,-0.3 -1,-0.2 0.896 109.0 42.1 -58.8 -42.8 -57.1 34.8 14.8 103 109 A L H 3< S+ 0 0 22 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.726 109.2 60.2 -75.1 -23.5 -54.5 32.1 15.1 104 110 A L H 3< S+ 0 0 75 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.484 95.4 80.6 -84.4 -2.3 -57.2 29.5 15.6 105 111 A N << - 0 0 66 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.0 -0.245 68.4-148.8 -88.0-175.4 -58.6 30.4 12.1 106 112 A Y 0 0 104 -2,-0.1 -2,-0.1 1,-0.0 -1,-0.0 -0.904 360.0 360.0-149.7 173.7 -57.3 29.2 8.7 107 113 A R 0 0 139 -2,-0.3 4,-0.1 0, 0.0 -2,-0.0 -0.105 360.0 360.0-163.9 360.0 -56.7 29.8 5.0 108 ! 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 0.0 109 123 A G 0 0 93 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-110.4 -52.1 36.2 4.4 110 124 A D >> - 0 0 59 1,-0.1 4,-0.8 3,-0.0 3,-0.8 -0.123 360.0 -90.9 -76.8 177.6 -50.7 32.8 5.6 111 125 A F H >> S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.828 123.1 59.8 -59.7 -35.5 -50.4 31.5 9.2 112 126 A A H 3> S+ 0 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C < + 0 0 58 -4,-1.9 -1,-0.2 1,-0.2 3,-0.1 -0.273 28.3 174.2 62.9-116.3 -40.6 40.3 21.7 124 138 A L + 0 0 116 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.905 56.0 149.1 59.6 49.0 -38.5 37.8 23.7 125 139 A Q + 0 0 89 1,-0.1 -1,-0.2 2,-0.1 40,-0.1 -0.591 22.2 103.9-115.6 163.1 -36.1 38.6 20.9 126 140 A K - 0 0 85 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.004 66.3-126.6-155.8 -64.4 -32.6 39.0 19.8 127 141 A G + 0 0 24 36,-0.4 37,-0.2 -3,-0.1 -2,-0.1 0.649 35.4 178.8 -99.0-157.5 -32.1 36.4 18.2 128 142 A S + 0 0 79 35,-1.5 36,-0.1 -2,-0.1 -3,-0.0 0.666 40.3 111.3-128.0 -30.0 -29.3 34.0 18.9 129 143 A L - 0 0 4 34,-0.7 -119,-3.3 31,-0.1 -118,-0.5 -0.228 51.0-145.3 -66.2 132.3 -29.4 31.0 16.6 130 144 A T B > -B 9 0B 26 -121,-0.3 4,-2.2 -120,-0.1 5,-0.1 -0.452 32.6-106.9 -77.2 168.0 -26.8 30.3 13.9 131 145 A I H > S+ 0 0 0 -123,-2.1 4,-2.9 -126,-0.8 -125,-0.2 0.921 120.9 53.8 -63.2 -45.2 -28.1 28.6 10.7 132 146 A Q H > S+ 0 0 47 -127,-1.7 4,-3.2 -124,-0.3 -1,-0.2 0.867 109.6 49.2 -55.4 -38.1 -26.4 25.3 11.6 133 147 A Q H > S+ 0 0 91 -128,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.884 109.0 50.7 -73.4 -39.4 -28.2 25.4 14.9 134 148 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.952 113.6 47.3 -57.8 -47.1 -31.5 26.1 13.3 135 149 A N H X S+ 0 0 7 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.955 107.8 54.5 -59.7 -51.3 -30.8 23.2 11.0 136 150 A D H X S+ 0 0 85 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.862 111.7 45.7 -45.7 -41.4 -29.8 21.0 14.0 137 151 A L H X S+ 0 0 25 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.872 111.2 50.4 -76.6 -38.1 -33.2 21.8 15.6 138 152 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.861 109.1 54.3 -62.7 -38.2 -35.2 21.2 12.4 139 153 A D H X S+ 0 0 47 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.924 107.7 48.9 -58.1 -46.1 -33.3 17.9 12.1 140 154 A S H X S+ 0 0 51 -4,-1.6 4,-2.7 -5,-0.2 -2,-0.2 0.841 108.3 54.1 -66.4 -34.6 -34.4 16.9 15.6 141 155 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.967 110.2 45.1 -64.7 -49.8 -38.0 17.8 14.9 142 156 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.891 114.6 50.1 -61.6 -39.0 -38.1 15.5 11.8 143 157 A S H X S+ 0 0 76 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.912 109.0 50.5 -64.1 -42.0 -36.4 12.8 13.8 144 158 A N H <>S+ 0 0 29 -4,-2.7 5,-2.7 1,-0.2 -1,-0.2 0.840 112.8 48.7 -65.0 -29.6 -38.8 13.1 16.7 145 159 A N H ><5S+ 0 0 50 -4,-1.9 3,-1.1 3,-0.2 -1,-0.2 0.825 105.6 55.1 -78.7 -33.3 -41.6 12.8 14.2 146 160 A S H 3<5S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.703 111.7 47.0 -70.5 -17.2 -40.1 9.8 12.5 147 161 A A T 3<5S- 0 0 67 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.267 117.3-113.4-108.1 8.7 -40.2 8.2 15.9 148 162 A K T < 5 + 0 0 110 -3,-1.1 2,-0.3 1,-0.1 -3,-0.2 0.927 68.7 139.1 61.3 50.9 -43.7 9.2 16.7 149 163 A R >>< + 0 0 115 -5,-2.7 4,-1.6 1,-0.1 3,-0.5 -0.685 18.2 167.2-128.0 79.8 -42.8 11.6 19.6 150 164 A K H 3> S+ 0 0 58 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.776 79.9 60.8 -61.9 -28.2 -45.0 14.7 19.4 151 165 A D H 3> S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 106.1 44.8 -64.8 -41.7 -43.9 15.6 22.9 152 166 A L H <> S+ 0 0 53 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.773 108.9 57.9 -75.1 -26.3 -40.3 15.8 21.7 153 167 A I H X S+ 0 0 2 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.962 106.9 48.6 -63.7 -49.2 -41.5 17.8 18.7 154 168 A K H X S+ 0 0 33 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.903 111.8 47.9 -56.0 -47.3 -43.0 20.3 21.0 155 169 A K H X S+ 0 0 133 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.945 114.7 44.8 -62.8 -48.2 -39.8 20.7 23.1 156 170 A S H X S+ 0 0 11 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.927 114.9 50.5 -57.5 -46.2 -37.5 21.0 20.1 157 171 A L H X S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.898 107.7 52.1 -58.8 -48.5 -40.0 23.4 18.6 158 172 A L H X S+ 0 0 53 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.869 104.2 58.9 -52.3 -43.1 -40.1 25.5 21.9 159 173 A Q H X S+ 0 0 89 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.907 108.3 43.5 -58.8 -44.7 -36.3 25.7 21.8 160 174 A L H < S+ 0 0 0 -4,-1.6 3,-0.4 2,-0.2 4,-0.3 0.948 115.9 49.5 -61.7 -48.8 -36.3 27.4 18.4 161 175 A I H >< S+ 0 0 16 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.958 109.5 46.6 -55.9 -61.7 -39.2 29.7 19.4 162 176 A T H 3< S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.676 116.1 47.2 -61.4 -19.5 -37.9 31.0 22.7 163 177 A Q T 3< S+ 0 0 74 -4,-0.8 -35,-1.5 -3,-0.4 -34,-0.7 0.325 101.9 84.2-103.4 4.8 -34.5 31.7 21.1 164 178 A S S < S- 0 0 0 -3,-2.4 2,-0.0 -4,-0.3 -4,-0.0 -0.880 72.9-127.1-114.3 143.1 -35.8 33.4 18.1 165 179 A S > - 0 0 14 -2,-0.4 4,-2.5 -40,-0.1 5,-0.1 -0.227 38.6-102.6 -65.7 169.3 -36.9 37.0 17.3 166 180 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -46,-0.1 0.870 125.1 49.0 -68.4 -39.6 -40.4 37.5 15.8 167 181 A L H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.948 112.5 49.7 -60.5 -48.7 -39.0 38.1 12.3 168 182 A E H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.895 111.7 48.4 -54.5 -43.4 -36.9 34.9 12.8 169 183 A Q H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.877 103.7 60.7 -68.5 -38.0 -40.1 33.1 13.9 170 184 A K H X S+ 0 0 1 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.934 111.3 40.0 -50.8 -47.9 -42.1 34.4 11.0 171 185 A W H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.861 108.3 58.9 -79.2 -37.1 -39.6 32.6 8.6 172 186 A L H X S+ 0 0 6 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.942 104.3 54.3 -48.6 -50.8 -39.2 29.4 10.6 173 187 A I H X S+ 0 0 8 -4,-2.2 4,-3.1 1,-0.3 5,-0.3 0.897 110.5 44.8 -56.0 -43.9 -42.9 28.8 10.3 174 188 A R H X>S+ 0 0 12 -4,-1.2 4,-1.4 2,-0.2 5,-1.0 0.821 111.8 52.9 -70.0 -32.5 -42.7 29.1 6.5 175 189 A M H <5S+ 0 0 1 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.885 114.5 42.6 -67.6 -38.1 -39.6 26.9 6.5 176 190 A I H <5S+ 0 0 14 -4,-3.0 -100,-0.3 1,-0.2 -2,-0.2 0.964 118.2 42.5 -66.6 -58.6 -41.6 24.3 8.5 177 191 A I H <5S- 0 0 58 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.763 110.7-133.8 -58.5 -26.6 -44.8 24.6 6.5 178 192 A K T <5 + 0 0 59 -4,-1.4 2,-0.5 -5,-0.3 -3,-0.2 0.673 68.8 112.1 78.8 22.8 -42.5 24.7 3.5 179 193 A D < + 0 0 101 -5,-1.0 -1,-0.1 -6,-0.2 -2,-0.1 -0.900 32.3 171.4-123.7 106.8 -44.0 27.7 1.6 180 194 A L - 0 0 5 -2,-0.5 -1,-0.1 -115,-0.1 -5,-0.1 0.845 23.3-154.3 -81.3 -36.0 -41.7 30.7 1.5 181 195 A K + 0 0 57 -7,-0.1 -2,-0.0 1,-0.1 -7,-0.0 0.927 33.1 156.4 60.9 48.2 -43.7 32.9 -0.9 182 196 A L - 0 0 12 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.787 50.2-128.8 -73.2 -31.6 -40.6 34.8 -2.1 183 197 A G S S+ 0 0 68 1,-0.3 2,-0.4 -159,-0.0 -158,-0.1 0.541 81.1 95.4 85.6 6.3 -42.0 35.9 -5.4 184 198 A V S S- 0 0 27 -155,-0.1 -1,-0.3 -154,-0.0 -2,-0.2 -0.999 74.8-121.7-128.7 135.3 -38.9 34.6 -7.1 185 199 A S > - 0 0 51 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.191 15.9-120.8 -73.6 162.2 -38.6 31.1 -8.7 186 200 A Q H > S+ 0 0 67 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.893 110.7 63.1 -67.1 -40.1 -36.2 28.3 -7.8 187 201 A Q H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 107.8 40.8 -51.0 -50.3 -34.9 28.3 -11.4 188 202 A T H > S+ 0 0 22 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.907 111.8 56.4 -67.7 -39.1 -33.7 31.9 -11.1 189 203 A I H X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.936 109.5 46.7 -55.7 -46.2 -32.4 31.2 -7.6 190 204 A F H X S+ 0 0 87 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.869 112.2 51.2 -60.3 -40.0 -30.3 28.4 -9.0 191 205 A S H X S+ 0 0 58 -4,-1.8 4,-4.0 -5,-0.3 5,-0.3 0.962 111.2 45.5 -64.6 -54.5 -29.1 30.6 -11.9 192 206 A V H X S+ 0 0 8 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.942 115.3 49.6 -53.4 -48.2 -28.0 33.4 -9.7 193 207 A F H X S+ 0 0 78 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.916 117.5 39.1 -57.5 -48.2 -26.3 30.9 -7.4 194 208 A H H X S+ 0 0 111 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.977 115.8 50.1 -68.2 -53.3 -24.5 29.2 -10.2 195 209 A N H X S+ 0 0 74 -4,-4.0 4,-2.1 1,-0.3 -2,-0.2 0.874 107.0 57.0 -53.7 -39.7 -23.7 32.3 -12.2 196 210 A D H X S+ 0 0 11 -4,-3.0 4,-0.5 -5,-0.3 -1,-0.3 0.945 113.5 39.9 -54.2 -50.3 -22.3 33.8 -9.0 197 211 A A H >X S+ 0 0 38 -4,-1.6 4,-3.1 -3,-0.3 3,-1.5 0.945 114.6 49.5 -65.8 -52.5 -19.9 30.9 -8.7 198 212 A A H 3< S+ 0 0 38 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 102.6 61.1 -66.5 -24.4 -18.9 30.5 -12.3 199 213 A E H 3< S+ 0 0 127 -4,-2.1 -1,-0.3 -5,-0.3 3,-0.2 0.762 119.1 31.3 -67.4 -21.5 -18.1 34.2 -12.7 200 214 A L H << S+ 0 0 105 -3,-1.5 2,-0.9 -4,-0.5 -2,-0.2 0.879 122.0 42.0-100.0 -58.4 -15.5 33.5 -10.0 201 215 A H S < S+ 0 0 94 -4,-3.1 2,-0.4 2,-0.1 -1,-0.1 -0.332 89.8 107.0 -93.5 52.2 -14.2 30.0 -10.4 202 216 A N - 0 0 48 -2,-0.9 -1,-0.0 -3,-0.2 -4,-0.0 -0.924 70.0-123.6-135.3 114.6 -14.0 29.9 -14.2 203 217 A V + 0 0 85 -2,-0.4 -2,-0.1 1,-0.2 -3,-0.0 -0.237 45.5 149.2 -50.9 121.4 -10.8 30.0 -16.2 204 218 A T S S+ 0 0 113 -2,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.668 75.3 9.3-120.2 -54.1 -10.7 32.9 -18.6 205 219 A T S S+ 0 0 127 5,-0.0 2,-1.1 4,-0.0 -2,-0.1 0.287 88.0 116.6-119.1 8.8 -7.2 34.2 -19.1 206 220 A D > - 0 0 92 1,-0.2 4,-3.4 2,-0.1 5,-0.2 -0.679 46.6-165.5 -83.8 100.4 -5.0 31.6 -17.4 207 221 A L H > S+ 0 0 127 -2,-1.1 4,-3.2 1,-0.2 5,-0.2 0.796 81.3 51.0 -59.5 -39.8 -3.0 30.2 -20.3 208 222 A E H > S+ 0 0 173 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 117.9 39.6 -66.2 -46.7 -1.6 27.0 -18.6 209 223 A K H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.897 115.8 53.3 -66.3 -43.4 -5.1 26.0 -17.5 210 224 A V H X S+ 0 0 33 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.946 111.0 45.9 -56.0 -50.2 -6.6 27.2 -20.8 211 225 A C H < S+ 0 0 90 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.914 115.8 43.8 -64.2 -44.3 -4.2 25.1 -22.9 212 226 A R H >< S+ 0 0 79 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.941 117.9 43.9 -65.0 -46.9 -4.6 21.9 -20.8 213 227 A Q H 3< S+ 0 0 74 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.885 105.7 58.9 -68.9 -43.3 -8.4 22.0 -20.5 214 228 A L T 3< 0 0 152 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 0.268 360.0 360.0 -73.7 13.4 -9.2 23.0 -24.2 215 229 A H < 0 0 121 -3,-1.0 -3,-0.0 -5,-0.1 -4,-0.0 -0.588 360.0 360.0-112.7 360.0 -7.5 19.8 -25.4