==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-09 3GN7 . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.H.PARK . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 15.1 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 . 1 0.3 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 1 1 2 1 0 2 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 3 1 2 0 1 0 1 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 1 1 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 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 K 0 0 209 0, 0.0 125,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.1 4.9 88.1 31.2 2 2 A S - 0 0 19 1,-0.1 7,-0.0 124,-0.0 124,-0.0 -0.121 360.0-156.9 -55.8 144.3 7.5 85.4 30.7 3 3 A K + 0 0 184 2,-0.0 -1,-0.1 3,-0.0 3,-0.1 0.705 62.2 107.8 -90.6 -26.0 10.1 84.5 33.3 4 4 A L S S- 0 0 29 1,-0.1 5,-0.1 2,-0.1 137,-0.1 -0.180 82.0 -96.4 -54.1 142.0 12.6 83.0 30.8 5 5 A P > - 0 0 62 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.086 35.7-108.3 -53.8 160.3 15.7 85.0 30.1 6 6 A K H > S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.963 118.1 51.2 -56.4 -57.9 15.7 87.3 27.0 7 7 A P H > S+ 0 0 31 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.789 112.2 48.6 -52.6 -31.9 18.1 85.1 24.9 8 8 A V H >> S+ 0 0 0 2,-0.2 4,-2.1 -3,-0.2 3,-0.7 0.916 108.1 52.7 -75.0 -45.3 15.9 82.1 25.7 9 9 A Q H 3X S+ 0 0 38 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.911 110.2 49.4 -54.1 -43.3 12.7 83.9 24.8 10 10 A D H 3X S+ 0 0 40 -4,-2.6 4,-1.6 1,-0.2 -1,-0.3 0.703 106.2 56.3 -68.3 -25.7 14.4 84.8 21.4 11 11 A L H < S+ 0 0 45 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.911 113.0 37.2 -55.7 -59.2 13.3 81.5 16.4 15 15 A I H 3< S+ 0 0 4 -4,-2.2 194,-0.3 1,-0.2 -1,-0.2 0.800 118.9 49.2 -71.8 -27.7 12.5 77.8 16.2 16 16 A F T 3< S+ 0 0 11 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.282 80.1 134.0 -94.9 12.9 8.8 78.3 16.4 17 17 A D <> - 0 0 64 -3,-0.9 4,-0.7 -4,-0.2 -3,-0.1 -0.459 39.7-165.3 -66.6 122.1 8.8 80.9 13.6 18 18 A V H >> S+ 0 0 56 -2,-0.3 4,-2.2 2,-0.2 3,-0.6 0.881 86.0 57.9 -76.1 -40.9 6.1 80.1 11.1 19 19 A E H 3> S+ 0 0 106 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.799 103.4 56.1 -60.2 -27.5 7.3 82.4 8.3 20 20 A S H 3> S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.837 104.9 52.5 -71.5 -33.4 10.6 80.4 8.5 21 21 A M H <>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 3,-1.5 0.941 112.3 47.2 -72.5 -48.3 8.9 75.4 1.7 26 26 A V H ><5S+ 0 0 80 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.832 106.7 59.5 -61.7 -32.4 8.9 78.1 -1.0 27 27 A E T 3<5S+ 0 0 103 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.668 102.8 53.8 -71.9 -11.8 12.7 77.6 -1.2 28 28 A Y T < 5S- 0 0 29 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.212 122.3-110.4-100.8 8.2 11.8 74.0 -2.2 29 29 A E T < 5 + 0 0 114 -3,-1.8 53,-2.5 1,-0.2 2,-0.5 0.775 63.7 161.3 68.0 25.4 9.6 75.3 -4.9 30 30 A I B < -A 81 0A 5 -5,-2.2 2,-1.0 51,-0.2 51,-0.3 -0.682 43.8-126.8 -84.1 126.0 6.6 74.0 -2.9 31 31 A D > - 0 0 31 49,-2.0 4,-3.7 -2,-0.5 3,-0.2 -0.588 20.2-169.6 -73.2 104.6 3.2 75.5 -3.9 32 32 A L T 4 S+ 0 0 46 -2,-1.0 -1,-0.2 1,-0.2 5,-0.1 0.613 84.8 65.9 -70.6 -10.7 1.9 76.7 -0.5 33 33 A Q T 4 S+ 0 0 165 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.947 117.1 22.4 -72.8 -49.6 -1.4 77.2 -2.4 34 34 A K T 4 S+ 0 0 116 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.835 135.4 37.7 -84.9 -40.1 -1.9 73.5 -2.9 35 35 A M S < S- 0 0 11 -4,-3.7 -1,-0.2 45,-0.2 -2,-0.2 -0.583 81.2-179.3-114.8 68.9 0.4 72.3 -0.1 36 36 A P >> - 0 0 54 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.197 43.2-100.6 -61.8 160.4 -0.3 74.8 2.8 37 37 A L G >4 S+ 0 0 17 1,-0.3 3,-1.1 2,-0.2 77,-0.1 0.849 121.6 53.3 -49.9 -47.5 1.6 74.4 6.0 38 38 A G G 34 S+ 0 0 56 1,-0.2 -1,-0.3 76,-0.0 -3,-0.0 0.465 98.6 66.2 -72.4 -2.2 -1.3 72.8 7.8 39 39 A K G <4 S+ 0 0 130 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.639 73.6 110.4 -92.1 -18.8 -1.6 70.1 5.1 40 40 A L << - 0 0 12 -3,-1.1 2,-0.3 -4,-0.5 3,-0.1 -0.302 47.9-177.8 -58.2 137.8 1.8 68.5 5.8 41 41 A S > - 0 0 46 1,-0.1 4,-2.0 -2,-0.0 3,-0.3 -0.997 39.3-130.7-148.4 138.2 1.4 65.0 7.3 42 42 A K H > S+ 0 0 69 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 0.909 112.4 51.4 -43.7 -54.1 3.7 62.2 8.6 43 43 A R H > S+ 0 0 166 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 106.6 51.8 -55.0 -44.5 1.8 59.7 6.5 44 44 A Q H > S+ 0 0 23 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.871 112.1 49.7 -61.7 -33.6 2.2 61.8 3.3 45 45 A I H X S+ 0 0 2 -4,-2.0 4,-2.9 -3,-0.2 -2,-0.2 0.868 105.0 53.3 -74.8 -38.7 5.9 61.9 4.1 46 46 A Q H X S+ 0 0 61 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.946 110.6 50.8 -60.2 -44.9 6.4 58.2 4.7 47 47 A A H X S+ 0 0 43 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.907 110.3 47.8 -56.7 -47.1 4.8 57.6 1.3 48 48 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.898 110.1 52.2 -63.6 -42.1 7.1 60.1 -0.4 49 49 A Y H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.885 109.2 51.2 -58.0 -43.7 10.2 58.6 1.3 50 50 A S H X S+ 0 0 46 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.850 108.3 50.2 -64.0 -38.7 9.0 55.2 -0.1 51 51 A I H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.943 108.6 54.3 -62.5 -47.4 8.7 56.5 -3.6 52 52 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.908 107.2 49.8 -52.8 -46.9 12.2 57.9 -3.2 53 53 A S H X S+ 0 0 18 -4,-2.1 4,-2.4 169,-0.5 -1,-0.2 0.893 108.6 52.6 -57.7 -46.0 13.5 54.5 -2.3 54 54 A E H X S+ 0 0 60 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.915 106.3 54.3 -58.3 -42.8 11.8 52.9 -5.3 55 55 A V H X S+ 0 0 1 -4,-2.5 4,-3.5 2,-0.2 5,-0.2 0.953 106.7 50.5 -56.2 -50.9 13.5 55.5 -7.5 56 56 A Q H X S+ 0 0 33 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.937 111.3 49.1 -52.3 -48.4 16.9 54.5 -6.1 57 57 A Q H X S+ 0 0 128 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.911 113.1 46.8 -57.1 -44.8 16.1 50.9 -6.9 58 58 A A H X>S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 5,-2.3 0.915 113.0 49.8 -62.0 -44.5 15.1 51.9 -10.4 59 59 A V H <5S+ 0 0 43 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.847 112.8 46.6 -62.7 -39.4 18.2 54.0 -10.7 60 60 A S H <5S+ 0 0 91 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.799 118.0 40.7 -74.0 -36.2 20.4 51.1 -9.5 61 61 A Q H <5S- 0 0 179 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.828 110.8-116.5 -82.9 -35.3 18.8 48.5 -11.8 62 62 A G T <5 - 0 0 57 -4,-2.7 -3,-0.2 -5,-0.3 -4,-0.1 0.780 38.7-156.9 99.9 37.1 18.5 50.7 -14.8 63 63 A S < - 0 0 34 -5,-2.3 2,-1.3 -6,-0.2 -5,-0.0 0.202 28.6 -90.6 -41.8 161.9 14.7 50.8 -15.1 64 64 A S - 0 0 103 1,-0.1 2,-5.0 4,-0.0 -1,-0.1 -0.292 46.0-111.7 -84.5 55.9 12.9 51.5 -18.4 65 65 A D S S+ 0 0 129 -2,-1.3 4,-0.4 1,-0.3 -1,-0.1 0.064 113.9 64.9 51.3 -37.9 12.4 55.3 -18.4 66 66 A S S > S+ 0 0 86 -2,-5.0 4,-2.3 2,-0.2 -1,-0.3 0.851 98.3 52.8 -81.6 -33.3 8.6 55.0 -18.0 67 67 A Q H > S+ 0 0 97 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.829 112.4 46.2 -67.4 -31.3 9.0 53.4 -14.6 68 68 A I H > S+ 0 0 11 2,-0.2 4,-1.3 1,-0.2 23,-0.5 0.635 109.8 55.8 -83.4 -18.3 11.1 56.4 -13.6 69 69 A L H > S+ 0 0 89 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.866 110.1 42.9 -82.5 -38.1 8.6 58.7 -15.2 70 70 A D H X S+ 0 0 92 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.841 114.1 51.0 -76.4 -32.3 5.6 57.4 -13.1 71 71 A L H X S+ 0 0 4 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.924 111.6 49.1 -68.0 -40.7 7.7 57.4 -10.0 72 72 A S H X S+ 0 0 2 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.947 114.3 44.5 -62.6 -46.9 8.7 61.0 -10.7 73 73 A N H X S+ 0 0 75 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.879 108.7 57.5 -66.1 -36.9 5.1 61.9 -11.3 74 74 A R H X S+ 0 0 113 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.878 106.9 50.1 -61.7 -35.7 4.0 60.0 -8.2 75 75 A F H X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.2 -2,-0.2 0.918 110.2 46.9 -69.4 -44.1 6.4 62.1 -6.1 76 76 A Y H < S+ 0 0 22 -4,-1.7 5,-0.4 2,-0.2 -1,-0.2 0.576 108.1 57.8 -76.0 -9.3 5.2 65.5 -7.4 77 77 A T H < S+ 0 0 116 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.851 112.9 40.2 -84.9 -36.5 1.6 64.4 -6.9 78 78 A L H < S+ 0 0 46 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.980 125.7 35.4 -72.3 -55.7 2.4 63.8 -3.3 79 79 A I S < S- 0 0 0 -4,-3.3 2,-0.4 -5,-0.1 -1,-0.3 -0.825 89.8-144.1-104.4 94.4 4.6 66.9 -2.8 80 80 A P - 0 0 20 0, 0.0 -49,-2.0 0, 0.0 2,-0.2 -0.431 22.9-176.5 -61.7 110.0 3.0 69.7 -5.1 81 81 A H B -A 30 0A 19 -2,-0.4 2,-0.5 -5,-0.4 -51,-0.2 -0.694 19.3-132.5-106.5 161.3 5.7 71.9 -6.6 82 82 A D + 0 0 93 -53,-2.5 3,-0.1 -2,-0.2 0, 0.0 -0.961 45.9 136.1-120.6 122.4 5.3 74.9 -8.8 83 83 A F - 0 0 65 -2,-0.5 2,-2.0 1,-0.0 -1,-0.1 0.526 37.2-160.2-127.0 -32.3 7.3 75.4 -12.1 84 84 A G S S+ 0 0 71 2,-0.1 2,-0.2 0, 0.0 -1,-0.0 -0.556 71.8 12.3 81.2 -72.5 4.5 76.6 -14.3 85 85 A M S S+ 0 0 149 -2,-2.0 2,-1.2 2,-0.1 0, 0.0 -0.537 109.1 51.8-119.7-173.5 6.3 75.8 -17.5 86 86 A K S S- 0 0 174 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.086 99.1-115.0 77.1 -39.3 9.4 73.7 -18.3 87 87 A K - 0 0 155 -2,-1.2 -2,-0.1 2,-0.0 0, 0.0 0.173 36.3 -60.9 87.1 155.3 8.0 70.7 -16.3 88 88 A P - 0 0 45 0, 0.0 -15,-0.0 0, 0.0 -2,-0.0 -0.389 62.0-101.9 -69.8 140.4 9.1 68.9 -13.1 89 89 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.224 31.2-112.4 -63.9 154.9 12.6 67.3 -13.2 90 90 A L - 0 0 75 1,-0.0 2,-1.1 2,-0.0 -21,-0.1 -0.674 19.4-136.0 -84.7 138.7 13.0 63.6 -13.6 91 91 A L + 0 0 2 -23,-0.5 -19,-0.1 -2,-0.3 -20,-0.1 -0.836 54.2 137.3 -96.6 91.2 14.4 61.8 -10.5 92 92 A N + 0 0 82 -2,-1.1 2,-0.3 -34,-0.0 -1,-0.1 0.069 49.6 54.4-129.9 25.8 16.9 59.6 -12.3 93 93 A N S > S- 0 0 62 1,-0.1 4,-1.8 -3,-0.0 3,-0.5 -0.996 81.6-110.9-157.4 156.7 20.1 59.7 -10.2 94 94 A A H > S+ 0 0 42 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.814 116.8 64.3 -54.8 -28.1 21.4 59.2 -6.7 95 95 A D H > S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 103.4 40.2 -64.1 -48.5 21.8 62.9 -6.8 96 96 A S H > S+ 0 0 22 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.831 113.1 56.1 -71.0 -31.6 18.1 63.9 -7.1 97 97 A V H X S+ 0 0 1 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.833 107.5 49.6 -69.8 -30.9 17.1 61.2 -4.6 98 98 A Q H X S+ 0 0 70 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.883 111.9 47.0 -74.4 -40.5 19.5 62.6 -2.0 99 99 A A H X S+ 0 0 44 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.949 113.0 48.5 -65.8 -49.7 18.3 66.2 -2.4 100 100 A K H X S+ 0 0 41 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.826 111.9 48.9 -61.1 -34.7 14.6 65.2 -2.2 101 101 A A H X S+ 0 0 11 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.900 107.7 54.0 -72.5 -39.7 15.1 63.0 0.9 102 102 A E H X S+ 0 0 91 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.878 109.6 50.1 -59.9 -36.9 17.0 65.8 2.7 103 103 A M H X S+ 0 0 5 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.857 107.6 52.4 -69.8 -37.1 14.0 68.0 1.9 104 104 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.880 107.0 52.5 -67.4 -39.4 11.5 65.4 3.3 105 105 A D H X S+ 0 0 38 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.927 114.3 43.5 -59.5 -47.9 13.5 65.1 6.6 106 106 A N H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 3,-0.4 0.955 112.8 50.3 -63.7 -50.8 13.3 68.9 6.9 107 107 A L H X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.809 109.8 53.8 -55.8 -35.9 9.6 69.1 5.9 108 108 A L H X S+ 0 0 44 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.853 106.8 49.1 -68.2 -37.2 8.9 66.4 8.5 109 109 A D H X S+ 0 0 13 -4,-1.6 4,-1.6 -3,-0.4 -2,-0.2 0.814 110.5 52.9 -73.2 -26.1 10.6 68.4 11.3 110 110 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.829 105.2 52.8 -75.6 -33.4 8.5 71.3 10.1 111 111 A E H X S+ 0 0 25 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.921 110.0 50.3 -66.0 -42.5 5.3 69.3 10.4 112 112 A V H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.875 112.2 46.3 -61.2 -42.6 6.3 68.4 13.9 113 113 A A H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.910 114.4 45.5 -70.1 -44.8 6.9 72.1 14.8 114 114 A Y H X S+ 0 0 56 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.874 114.9 50.9 -65.0 -35.8 3.7 73.4 13.3 115 115 A S H X S+ 0 0 57 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.864 113.4 41.8 -71.1 -38.6 1.9 70.5 15.0 116 116 A L H < S+ 0 0 42 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.927 112.5 56.6 -70.5 -45.7 3.4 71.2 18.4 117 117 A L H < S+ 0 0 33 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.791 115.9 36.6 -53.6 -32.5 2.8 74.9 17.8 118 118 A R H < S+ 0 0 150 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.849 101.9 83.9 -91.0 -41.0 -0.9 74.2 17.2 119 119 A G S < S+ 0 0 37 -4,-2.5 16,-0.1 -5,-0.1 -3,-0.0 -0.051 74.7 41.7 -58.1 164.5 -1.5 71.4 19.8 120 120 A G S S- 0 0 65 2,-0.0 2,-0.3 15,-0.0 11,-0.0 -0.039 102.8 -42.0 83.1 171.0 -2.3 72.3 23.4 121 121 A S - 0 0 85 1,-0.1 -2,-0.0 2,-0.1 10,-0.0 -0.560 38.8-161.0 -77.0 131.7 -4.5 75.0 24.9 122 122 A D + 0 0 123 -2,-0.3 2,-0.6 2,-0.0 -1,-0.1 -0.053 39.9 144.8-100.7 30.8 -4.3 78.4 23.3 123 123 A D > - 0 0 73 1,-0.1 3,-1.2 4,-0.0 2,-0.7 -0.611 55.2-133.5 -75.0 116.5 -5.8 80.1 26.4 124 124 A S T 3 S+ 0 0 117 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.288 79.6 110.9 -55.8 15.0 -4.1 83.5 26.9 125 125 A S T 3 S+ 0 0 96 -2,-0.7 2,-0.3 2,-0.0 -1,-0.3 0.948 88.0 22.1 -54.9 -47.9 -3.7 82.6 30.6 126 126 A K S < S- 0 0 89 -3,-1.2 -1,-0.0 1,-0.0 -124,-0.0 -0.791 99.3 -92.8-117.9 160.0 0.0 82.5 29.9 127 127 A D > - 0 0 24 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.431 33.5-113.1 -76.8 148.0 2.1 84.1 27.2 128 128 A P H > S+ 0 0 87 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.789 112.9 57.9 -43.0 -42.7 2.9 82.2 23.9 129 129 A I H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.975 107.8 41.3 -58.3 -63.1 6.6 82.1 24.8 130 130 A D H > S+ 0 0 36 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.841 118.5 49.6 -56.3 -36.4 6.3 80.2 28.1 131 131 A V H >X S+ 0 0 20 -4,-1.9 4,-1.5 2,-0.2 3,-0.8 0.986 113.0 43.3 -67.6 -57.3 3.7 77.9 26.6 132 132 A N H 3X S+ 0 0 25 -4,-3.3 4,-0.6 1,-0.3 -2,-0.2 0.773 109.5 60.5 -59.5 -24.7 5.7 77.1 23.4 133 133 A Y H >< S+ 0 0 35 -4,-2.4 3,-0.8 -5,-0.3 5,-0.5 0.892 102.6 51.3 -69.0 -37.7 8.8 76.7 25.7 134 134 A E H X< S+ 0 0 96 -4,-1.4 3,-1.7 -3,-0.8 -2,-0.2 0.889 98.1 66.5 -64.1 -41.4 6.9 73.9 27.6 135 135 A K H 3< S+ 0 0 27 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.734 92.6 61.0 -53.6 -27.7 6.2 72.1 24.3 136 136 A L T << S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.742 90.9-148.3 -74.4 -23.0 9.9 71.4 23.7 137 137 A K < + 0 0 112 -3,-1.7 44,-2.5 -4,-0.4 2,-0.4 0.826 58.3 110.5 58.2 35.3 10.1 69.4 27.0 138 138 A T E S-B 180 0B 9 -5,-0.5 2,-0.6 42,-0.3 42,-0.3 -0.996 70.5-120.3-139.9 142.4 13.7 70.4 27.5 139 139 A D E -B 179 0B 68 40,-2.5 40,-1.5 -2,-0.4 2,-0.5 -0.744 30.4-165.9 -85.4 121.7 15.3 72.6 30.2 140 140 A I E +B 178 0B 7 -2,-0.6 2,-0.3 38,-0.2 38,-0.2 -0.931 10.5 173.4-113.4 128.1 17.1 75.6 28.6 141 141 A K E -B 177 0B 121 36,-2.1 36,-2.7 -2,-0.5 2,-0.2 -0.970 31.1-118.0-131.9 146.7 19.6 77.8 30.5 142 142 A V E -B 176 0B 54 -2,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.570 22.2-141.4 -79.9 144.6 21.8 80.6 29.3 143 143 A V - 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