==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-99 1CL5 . COMPND 2 MOLECULE: PROTEIN (PHOSPHOLIPASE A2); . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII PULCHELLA; . AUTHOR V.CHANDRA,P.KAUR,T.P.SINGH . 242 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 61.2 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 . 18 7.4 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 9 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 2 0 0 0 0 0 0 0 2 2 0 0 0 0 0 2 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 . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S > 0 0 0 0, 0.0 4,-2.5 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0-169.5 21.0 31.3 40.9 2 2 A L H > + 0 0 51 58,-0.9 4,-1.8 240,-0.9 241,-0.2 0.655 360.0 62.5 -71.2 -14.0 23.0 28.1 40.2 3 3 A L H > S+ 0 0 53 239,-0.4 4,-0.9 57,-0.2 -1,-0.2 0.919 109.1 36.9 -75.1 -46.0 25.2 30.3 38.0 4 4 A E H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.931 118.5 51.3 -69.6 -48.0 26.3 32.5 40.9 5 5 A F H X S+ 0 0 17 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.896 105.2 55.4 -56.5 -46.0 26.4 29.5 43.4 6 6 A G H X S+ 0 0 12 -4,-1.8 4,-2.1 1,-0.2 11,-0.4 0.846 104.2 55.4 -58.8 -32.7 28.6 27.4 41.0 7 7 A K H X S+ 0 0 71 -4,-0.9 4,-3.0 -3,-0.5 -1,-0.2 0.896 106.5 51.1 -66.9 -39.2 31.1 30.3 41.0 8 8 A M H X S+ 0 0 0 -4,-1.5 4,-0.8 -3,-0.2 5,-0.3 0.935 109.6 47.5 -64.2 -48.7 31.3 30.2 44.8 9 9 A I H >X>S+ 0 0 3 -4,-2.1 4,-3.5 2,-0.2 3,-2.0 0.987 115.4 46.3 -56.1 -57.7 32.0 26.5 45.0 10 10 A L H 3X5S+ 0 0 75 -4,-2.1 4,-1.8 1,-0.3 -2,-0.2 0.923 113.7 49.3 -47.3 -53.0 34.6 26.7 42.3 11 11 A E H 3<5S+ 0 0 87 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.517 122.3 32.4 -67.0 -8.5 36.2 29.7 43.9 12 12 A E H <<5S+ 0 0 28 -3,-2.0 -2,-0.2 -4,-0.8 -1,-0.2 0.672 130.0 28.3-120.1 -30.2 36.3 28.1 47.4 13 13 A T H <5S- 0 0 17 -4,-3.5 -3,-0.2 2,-0.3 -2,-0.2 0.567 94.1-127.9-107.1 -15.0 36.8 24.4 46.8 14 14 A G S < - 0 0 35 -2,-0.3 4,-1.1 1,-0.1 5,-0.3 -0.566 25.9-134.1 -73.4 132.2 33.5 22.6 39.4 17 18 A A H >>S+ 0 0 5 -11,-0.4 4,-3.6 -2,-0.3 5,-0.6 0.912 84.5 80.5 -53.7 -43.7 30.1 22.5 41.2 18 19 A I H 45S+ 0 0 9 1,-0.3 -1,-0.1 2,-0.2 192,-0.1 -0.943 106.0 3.2-110.4 132.5 28.9 20.2 38.4 19 20 A P H 45S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 -0.916 128.6 58.9 -97.7 19.5 29.5 17.3 38.5 20 21 A S H <5S+ 0 0 22 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.2 0.777 125.8 13.4 -77.0 -24.9 31.3 17.3 41.9 21 22 A Y T <5S+ 0 0 12 -4,-3.6 3,-0.4 -5,-0.3 -3,-0.2 0.351 105.8 82.8-132.0 6.6 28.4 18.7 43.9 22 23 A S S -AB 28 108A 2 4,-1.9 4,-1.8 -3,-0.4 3,-0.3 -0.899 64.7 -40.2-115.1 138.8 26.3 14.0 45.8 25 26 A G T 4 S- 0 0 10 82,-3.5 90,-0.1 -2,-0.4 85,-0.0 -0.135 101.8 -46.0 51.3-141.8 25.0 12.1 48.8 26 27 A a T 4 S+ 0 0 13 9,-0.1 7,-0.7 1,-0.1 -1,-0.2 0.691 134.3 29.4 -98.6 -24.5 21.4 12.7 49.7 27 28 A Y T 4 S+ 0 0 17 -3,-0.3 2,-1.5 5,-0.2 -2,-0.2 0.516 88.1 92.6-118.6 -2.1 21.0 16.5 49.6 28 29 A b B < S+A 24 0A 7 -4,-1.8 -4,-1.9 20,-0.0 2,-0.3 -0.556 89.1 36.9 -91.5 72.8 23.5 17.9 47.0 29 30 A G S S- 0 0 37 -2,-1.5 -6,-0.1 2,-0.4 -7,-0.0 -0.966 112.3 -55.1 173.6-166.1 21.1 17.8 44.1 30 31 A W S S+ 0 0 113 -8,-0.3 -1,-0.1 -2,-0.3 -7,-0.1 0.934 111.6 65.9 -65.9 -43.2 17.5 18.4 43.1 31 32 A G - 0 0 53 -3,-0.1 -2,-0.4 2,-0.0 -5,-0.0 0.251 58.4-167.9 -65.8-167.7 16.1 16.0 45.7 32 33 A G + 0 0 41 -4,-0.1 2,-0.3 83,-0.1 -5,-0.2 -0.235 29.6 128.0 172.8 88.0 16.2 16.0 49.5 33 34 A K + 0 0 153 -7,-0.7 85,-0.1 85,-0.1 2,-0.1 -0.994 48.8 5.1-151.1 150.9 15.3 13.0 51.6 34 35 A G S S- 0 0 1 83,-0.5 83,-0.2 -2,-0.3 81,-0.1 -0.400 95.3 -25.8 83.4-154.6 16.7 10.9 54.4 35 36 A T - 0 0 77 81,-0.8 2,-0.1 -2,-0.1 81,-0.1 -0.873 63.1-110.5-106.7 131.4 19.8 11.3 56.5 36 37 A P - 0 0 14 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.397 22.8-145.7 -59.7 127.7 22.9 13.2 55.3 37 38 A K - 0 0 70 -2,-0.1 2,-0.2 70,-0.1 -12,-0.0 0.871 68.6 -18.1 -63.2 -41.4 25.7 10.7 54.8 38 39 A D S > S- 0 0 29 69,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.796 84.8 -68.1-150.3-168.4 28.5 13.0 55.9 39 40 A A H > S+ 0 0 32 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.927 125.8 51.1 -59.4 -48.8 29.6 16.6 56.5 40 41 A T H > S+ 0 0 0 1,-0.2 4,-1.4 59,-0.2 3,-0.3 0.939 112.2 46.9 -56.1 -48.3 29.5 17.6 52.9 41 42 A D H > S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.885 109.0 56.0 -59.5 -38.6 26.0 16.2 52.5 42 43 A R H X S+ 0 0 134 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.855 101.4 57.3 -60.9 -35.7 25.1 18.0 55.7 43 44 A c H X S+ 0 0 0 -4,-2.0 4,-1.4 -3,-0.3 -1,-0.2 0.902 108.7 46.9 -61.6 -38.1 26.3 21.2 54.1 44 45 A b H X S+ 0 0 7 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.847 107.9 56.0 -72.5 -35.3 23.8 20.6 51.4 45 46 A F H >X S+ 0 0 18 -4,-2.1 4,-1.7 2,-0.2 3,-0.6 0.954 110.2 42.7 -62.2 -52.8 21.0 19.8 53.9 46 47 A V H 3X S+ 0 0 70 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.833 109.5 58.6 -64.9 -32.0 21.3 23.1 55.7 47 48 A H H 3X S+ 0 0 16 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.3 0.812 106.7 49.1 -64.5 -30.6 21.6 25.0 52.4 48 49 A D H < S+ 0 0 46 -4,-1.8 3,-0.6 2,-0.2 -2,-0.2 0.909 113.0 41.7 -74.2 -45.5 18.2 28.1 54.1 51 52 A Y H >< S+ 0 0 28 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.926 110.6 59.1 -66.0 -43.9 16.5 28.2 50.7 52 53 A G T 3< S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.673 99.2 59.0 -59.3 -17.7 13.4 26.7 52.2 53 54 A N T < S+ 0 0 117 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.126 87.7 77.9-101.1 21.8 13.2 29.6 54.6 54 55 A L X + 0 0 16 -3,-2.0 3,-1.4 1,-0.1 -1,-0.2 -0.677 52.0 161.2-124.3 70.9 12.9 32.2 51.8 55 56 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.921 73.0 53.5 -60.9 -44.1 9.3 31.8 50.8 56 59 A D T 3 S+ 0 0 110 -3,-0.1 2,-0.2 2,-0.0 25,-0.1 0.454 106.3 68.7 -72.4 2.4 9.1 35.1 49.0 57 61 A f < - 0 0 17 -3,-1.4 -3,-0.1 -6,-0.2 25,-0.0 -0.726 69.8-138.0-120.9 170.6 12.1 34.3 46.9 58 67 A N >> - 0 0 70 -2,-0.2 4,-1.9 1,-0.1 3,-1.5 -0.685 21.1-175.2-127.2 76.6 13.2 32.0 44.0 59 68 A P T 34 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.730 80.0 49.3 -38.2 -45.0 16.7 30.8 45.0 60 69 A K T 34 S+ 0 0 76 -59,-0.1 -58,-0.9 1,-0.1 182,-0.3 0.756 121.9 31.6 -75.1 -26.1 17.4 28.9 41.8 61 70 A S T <4 S+ 0 0 22 -3,-1.5 181,-0.3 -60,-0.2 -1,-0.1 0.911 91.4 90.2 -96.2 -63.0 16.4 31.7 39.4 62 71 A D < - 0 0 58 -4,-1.9 2,-0.2 1,-0.1 -5,-0.0 -0.062 65.4-145.2 -42.7 129.0 17.1 35.1 40.9 63 72 A R + 0 0 74 -60,-0.1 2,-0.3 -59,-0.1 22,-0.1 -0.552 22.4 177.3 -92.5 162.2 20.6 36.3 40.0 64 73 A Y - 0 0 2 -2,-0.2 2,-0.3 21,-0.1 19,-0.0 -0.967 22.1-118.7-158.6 169.4 22.6 38.3 42.5 65 74 A K + 0 0 118 -2,-0.3 11,-1.3 -61,-0.0 2,-0.3 -0.898 29.7 158.4-121.2 147.5 26.0 40.0 42.9 66 75 A Y E -C 75 0B 40 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.915 15.3-158.4-151.8 173.7 28.8 39.5 45.4 67 76 A K E -C 74 0B 100 7,-2.2 7,-3.3 -2,-0.3 2,-0.5 -0.840 24.1 -95.5-148.2-176.6 32.5 40.2 45.6 68 77 A R E +C 73 0B 97 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.948 31.9 175.7-114.3 124.9 35.9 39.3 47.2 69 78 A V E > S-C 72 0B 70 3,-2.7 3,-1.4 -2,-0.5 -2,-0.0 -0.938 80.5 -16.3-130.8 108.0 37.1 41.4 50.1 70 79 A N T 3 S- 0 0 175 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.809 128.0 -57.9 67.4 29.3 40.4 40.1 51.7 71 80 A G T 3 S+ 0 0 46 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.306 116.2 117.5 83.6 -8.3 39.7 36.9 49.9 72 81 A A E < S-C 69 0B 48 -3,-1.4 -3,-2.7 1,-0.1 -1,-0.3 -0.747 73.6-106.1 -98.1 139.7 36.4 36.5 51.6 73 82 A I E -C 68 0B 2 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.388 34.5-165.3 -62.2 126.7 33.0 36.4 49.8 74 83 A V E -C 67 0B 48 -7,-3.3 -7,-2.2 -2,-0.2 2,-0.4 -0.940 11.6-144.2-122.4 110.7 31.1 39.7 50.4 75 84 A g E -C 66 0B 17 -2,-0.6 -9,-0.2 -9,-0.2 8,-0.1 -0.590 20.0-141.3 -72.7 125.0 27.4 39.7 49.5 76 85 A E - 0 0 89 -11,-1.3 -1,-0.1 -2,-0.4 -10,-0.1 0.391 22.2-102.4 -64.7-150.7 26.5 43.1 48.1 77 86 A K + 0 0 164 -11,-0.0 3,-0.1 5,-0.0 -11,-0.1 -0.160 65.4 129.3-139.3 47.4 23.2 44.8 48.9 78 88 A G S S- 0 0 51 -13,-0.2 2,-0.1 1,-0.2 -14,-0.1 0.692 73.4 -16.5 -67.2-121.9 20.7 44.5 46.1 79 89 A T > - 0 0 73 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.334 68.4-108.6 -81.6 166.0 17.3 43.2 47.0 80 90 A S H > S+ 0 0 74 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.940 123.0 48.0 -58.8 -45.6 16.5 41.5 50.3 81 91 A f H > S+ 0 0 20 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.970 110.2 49.5 -58.9 -56.9 16.1 38.2 48.3 82 92 A E H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 116.0 45.7 -48.0 -47.6 19.4 38.7 46.4 83 93 A N H X S+ 0 0 19 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.944 115.6 44.3 -60.8 -52.0 21.0 39.4 49.8 84 94 A R H X S+ 0 0 66 -4,-3.4 4,-1.6 2,-0.2 -2,-0.2 0.936 115.2 47.5 -59.8 -50.3 19.4 36.4 51.5 85 95 A I H X S+ 0 0 0 -4,-3.6 4,-2.3 1,-0.2 3,-0.3 0.914 111.3 51.2 -57.7 -46.8 20.0 34.0 48.7 86 96 A g H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.4 -1,-0.2 0.886 109.2 52.1 -58.3 -39.6 23.6 35.1 48.4 87 97 A E H X S+ 0 0 85 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.804 108.0 51.0 -69.0 -29.2 24.0 34.6 52.2 88 98 A e H X S+ 0 0 4 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.915 113.0 45.3 -72.3 -44.1 22.6 31.0 51.9 89 99 A D H X S+ 0 0 0 -4,-2.3 4,-3.9 2,-0.2 5,-0.2 0.912 110.3 52.9 -65.0 -46.5 25.1 30.1 49.1 90 100 A K H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.921 108.3 50.4 -57.6 -46.7 28.1 31.7 50.9 91 101 A A H X S+ 0 0 60 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.945 116.6 42.8 -57.2 -45.0 27.5 29.7 54.0 92 102 A A H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.920 110.8 53.5 -66.2 -47.9 27.2 26.5 51.9 93 103 A A H X S+ 0 0 0 -4,-3.9 4,-1.5 1,-0.2 -1,-0.2 0.892 114.9 42.1 -55.6 -41.9 30.2 27.4 49.7 94 104 A I H X S+ 0 0 39 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.822 108.5 59.1 -75.6 -30.8 32.3 27.8 52.8 95 105 A c H X S+ 0 0 28 -4,-1.9 4,-0.8 -5,-0.3 -2,-0.2 0.872 105.8 51.5 -64.2 -33.7 30.8 24.7 54.4 96 106 A F H >< S+ 0 0 3 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.920 110.9 45.6 -66.6 -47.0 32.1 22.8 51.4 97 107 A R H >< S+ 0 0 105 -4,-1.5 3,-1.6 1,-0.2 4,-0.3 0.930 109.2 56.0 -61.7 -47.7 35.6 24.2 51.7 98 108 A Q H 3< S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.665 114.1 39.6 -59.9 -21.7 35.7 23.5 55.5 99 109 A N T X< S+ 0 0 41 -4,-0.8 3,-2.1 -3,-0.6 4,-0.3 0.182 75.1 115.8-116.7 17.6 34.9 19.8 55.0 100 110 A L G X + 0 0 61 -3,-1.6 3,-1.5 1,-0.3 -1,-0.1 0.826 67.9 68.3 -55.8 -32.9 36.9 19.0 51.9 101 111 A N G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.516 105.0 40.5 -67.7 -4.7 39.0 16.6 54.0 102 112 A T G < S+ 0 0 74 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.251 81.5 129.5-124.4 9.2 36.1 14.2 54.4 103 113 A Y < - 0 0 40 -3,-1.5 2,-0.4 -4,-0.3 3,-0.1 -0.459 43.4-158.0 -65.4 131.2 34.7 14.5 50.8 104 114 A S > - 0 0 24 -2,-0.2 3,-1.6 1,-0.1 4,-0.1 -0.963 26.6-151.9-123.6 132.5 34.2 11.0 49.4 105 115 A K G > S+ 0 0 166 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.765 96.0 73.9 -64.7 -24.2 34.0 9.9 45.8 106 116 A K G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.672 92.7 51.9 -64.9 -18.0 31.9 7.0 47.1 107 117 A Y G X S+ 0 0 45 -3,-1.6 -82,-3.5 3,-0.1 3,-0.8 0.265 85.0 112.0-101.9 10.7 29.0 9.4 47.6 108 118 A M B < S+B 24 0A 67 -3,-1.8 -84,-0.2 1,-0.2 -88,-0.1 -0.611 87.5 6.0 -83.3 143.5 29.1 10.8 44.1 109 119 A L T 3 S- 0 0 40 -86,-2.3 -1,-0.2 -2,-0.3 -85,-0.2 0.773 91.4-174.7 54.0 27.6 26.1 10.0 41.8 110 120 A Y < - 0 0 47 -3,-0.8 2,-0.3 -87,-0.7 -1,-0.2 -0.248 28.0-114.9 -54.7 131.5 24.5 8.4 44.9 111 121 A P > - 0 0 27 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.589 17.7-142.1 -73.8 130.5 21.2 6.6 44.0 112 122 A D G > S+ 0 0 103 -2,-0.3 3,-1.4 1,-0.3 -80,-0.1 0.598 91.6 75.7 -69.5 -12.3 18.4 8.4 45.8 113 124 A F G 3 S+ 0 0 133 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.565 90.5 60.3 -76.1 -4.6 16.4 5.2 46.6 114 125 A L G < S+ 0 0 75 -3,-1.4 2,-1.1 1,-0.1 -1,-0.3 0.353 79.8 96.6-100.4 3.0 19.0 4.7 49.3 115 126 A a < + 0 0 12 -3,-1.4 2,-0.3 -81,-0.1 -1,-0.1 -0.736 53.4 158.7 -98.1 89.5 18.1 7.9 51.1 116 127 A K + 0 0 165 -2,-1.1 -81,-0.8 -81,-0.1 2,-0.3 -0.795 28.0 47.9-112.8 154.0 15.7 6.8 53.8 117 128 A G S S- 0 0 53 -2,-0.3 -83,-0.5 -83,-0.2 2,-0.3 -0.880 72.3 -93.4 122.8-156.0 14.7 8.5 57.0 118 129 A E - 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0 0 92 -11,-1.8 -11,-0.4 -2,-0.7 2,-0.2 -0.462 28.9-105.9 -67.0 131.1 40.5 7.6 29.8 199 86 B K + 0 0 183 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.388 66.5 126.6 -61.6 120.5 42.9 10.4 30.8 200 88 B G - 0 0 30 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 -0.192 62.5 -13.2-141.0-127.0 43.5 12.8 27.9 201 89 B T S >> S- 0 0 75 1,-0.1 4,-2.3 -2,-0.1 3,-0.7 -0.689 70.7-108.1 -87.4 144.5 43.2 16.5 27.5 202 90 B S H 3> S+ 0 0 69 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.787 120.5 52.1 -37.7 -38.7 41.5 18.4 30.3 203 91 B m H 3> S+ 0 0 24 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.938 108.2 47.4 -67.6 -49.6 38.5 19.0 27.9 204 92 B E H <> S+ 0 0 59 -3,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.901 114.5 49.7 -58.5 -40.6 38.1 15.4 26.9 205 93 B N H X S+ 0 0 47 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.923 115.0 41.1 -64.8 -48.3 38.3 14.5 30.6 206 94 B R H X S+ 0 0 100 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.925 115.8 49.9 -65.7 -47.2 35.7 17.1 31.7 207 95 B I H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.907 110.5 52.0 -57.9 -43.6 33.4 16.4 28.8 208 96 B n H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.910 108.0 49.2 -62.0 -45.4 33.6 12.7 29.5 209 97 B E H X S+ 0 0 81 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.831 109.2 53.8 -64.5 -32.5 32.6 13.0 33.2 210 98 B l H X S+ 0 0 5 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.924 111.6 44.2 -67.3 -43.3 29.7 15.2 32.2 211 99 B D H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.850 112.3 54.9 -67.9 -34.1 28.4 12.6 29.8 212 100 B K H X S+ 0 0 45 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.938 107.4 47.0 -63.9 -50.8 29.1 9.9 32.4 213 101 B A H X S+ 0 0 16 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.862 115.8 45.1 -60.4 -41.3 27.0 11.5 35.2 214 102 B A H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.894 111.4 53.1 -71.4 -41.5 24.1 12.1 32.9 215 103 B A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.888 115.2 40.6 -60.5 -40.6 24.3 8.6 31.4 216 104 B I H X S+ 0 0 22 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.821 110.8 58.6 -76.2 -32.6 24.2 7.1 34.9 217 105 B j H X S+ 0 0 32 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.900 105.0 51.5 -62.1 -40.6 21.6 9.7 35.9 218 106 B F H >< S+ 0 0 3 -4,-2.5 3,-1.4 2,-0.2 -2,-0.2 0.967 109.7 47.6 -61.0 -55.9 19.4 8.3 33.0 219 107 B R H >< S+ 0 0 88 -4,-1.7 3,-2.5 1,-0.3 4,-0.3 0.942 107.9 54.5 -49.5 -57.6 19.7 4.7 34.2 220 108 B Q H 3< S+ 0 0 34 -4,-2.4 -1,-0.3 1,-0.3 3,-0.2 0.713 114.7 44.0 -51.4 -20.9 18.9 5.5 37.8 221 109 B N T X< S+ 0 0 18 -3,-1.4 3,-1.4 -4,-0.8 4,-0.4 0.178 70.7 113.0-113.8 17.5 15.8 7.1 36.5 222 110 B L G X + 0 0 71 -3,-2.5 3,-0.6 1,-0.3 -1,-0.1 0.723 69.4 74.6 -59.9 -18.9 14.5 4.6 33.9 223 111 B N G 3 S+ 0 0 124 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.829 104.0 30.2 -65.0 -34.8 11.6 4.1 36.4 224 112 B T G < S+ 0 0 73 -3,-1.4 2,-0.4 2,-0.1 -1,-0.2 0.237 78.2 134.1-114.1 15.8 9.8 7.4 35.6 225 113 B Y < - 0 0 34 -3,-0.6 2,-0.5 -4,-0.4 -3,-0.0 -0.534 40.4-163.1 -65.3 119.5 10.7 7.9 32.0 226 114 B S > - 0 0 50 -2,-0.4 3,-2.1 1,-0.1 4,-0.1 -0.939 27.5-149.6-115.8 128.4 7.4 8.9 30.4 227 115 B K G > S+ 0 0 155 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.657 94.4 78.4 -64.6 -13.4 6.6 8.9 26.6 228 116 B K G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -82,-0.0 -3,-0.0 0.670 89.8 54.1 -70.0 -14.1 4.2 11.7 27.5 229 117 B Y G X S+ 0 0 43 -3,-2.1 -82,-3.2 3,-0.1 3,-1.0 0.421 82.4 113.1-100.4 2.3 7.2 14.0 27.5 230 118 B M B < S+E 146 0C 42 -3,-1.4 -84,-0.2 1,-0.3 -88,-0.1 -0.458 88.9 4.2 -73.1 144.4 8.5 13.0 24.1 231 119 B L T 3 S- 0 0 149 -86,-1.0 -1,-0.3 1,-0.2 -85,-0.1 0.879 92.9-170.0 46.5 41.9 8.3 15.8 21.4 232 120 B Y < - 0 0 53 -3,-1.0 -1,-0.2 -85,-0.2 -3,-0.1 -0.451 27.0 -99.0 -67.7 127.7 7.2 18.1 24.2 233 121 B P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.004 20.8-139.5 -44.1 149.3 5.9 21.5 23.0 234 122 B D S > S+ 0 0 107 1,-0.2 3,-1.8 2,-0.1 -79,-0.1 0.843 101.1 59.4 -83.3 -36.3 8.3 24.5 23.2 235 124 B F T 3 S+ 0 0 160 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.661 95.2 68.5 -66.6 -13.9 5.7 27.0 24.4 236 125 B L T 3 S+ 0 0 81 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.280 87.4 78.4 -87.7 9.8 5.2 24.6 27.4 237 126 B h < + 0 0 8 -3,-1.8 2,-0.3 -81,-0.1 -81,-0.2 -0.933 58.2 122.7-125.0 107.6 8.7 25.5 28.7 238 127 B K + 0 0 171 -2,-0.5 -81,-0.5 -81,-0.1 -90,-0.0 -0.984 29.5 82.4-157.3 159.7 9.2 28.8 30.5 239 128 B G S S- 0 0 52 -2,-0.3 -1,-0.1 -83,-0.2 -2,-0.0 0.329 74.6-141.8 120.4 -0.3 10.5 30.1 33.9 240 129 B E - 0 0 99 1,-0.1 2,-0.5 -83,-0.1 -83,-0.1 0.702 13.1-152.5 8.3 134.7 14.1 29.9 32.9 241 130 B L - 0 0 18 -85,-0.5 -180,-0.1 -240,-0.0 2,-0.1 -0.981 9.9-145.5-126.9 118.2 16.9 28.9 35.3 242 131 B K 0 0 74 -2,-0.5 -240,-0.9 -181,-0.3 -239,-0.4 -0.471 360.0 360.0 -81.7 155.6 20.5 30.1 34.8 243 133 B k 0 0 43 -241,-0.2 -1,-0.1 -2,-0.1 -182,-0.0 0.298 360.0 360.0-166.0 360.0 23.5 28.0 35.6