==== 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 10-OCT-01 1K54 . COMPND 2 MOLECULE: BETA LACTAMASE OXA-10; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.GOLEMI,L.MAVEYRAUD,S.VAKULENKO,J.P.SAMAMA,S.MOBASHERY . 973 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 12 1.2 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 . 48 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 6 1 5 0 0 0 10 6 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 6 4 4 0 0 4 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 4 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 22 A I 0 0 107 0, 0.0 30,-0.2 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 89.8 31.6 12.0 57.9 2 23 A T E -a 31 0A 104 28,-0.8 30,-1.1 1,-0.1 2,-0.4 -0.266 360.0-116.4 -58.7 159.2 32.1 9.2 60.4 3 24 A E E -a 32 0A 100 28,-0.2 2,-0.8 30,-0.1 30,-0.2 -0.880 14.4-155.2-107.0 130.7 31.6 5.5 59.5 4 25 A N > - 0 0 46 28,-3.7 3,-1.4 -2,-0.4 4,-0.3 -0.833 11.2-178.7-107.2 93.8 28.9 3.3 61.0 5 26 A T G > S+ 0 0 45 -2,-0.8 3,-1.5 1,-0.3 4,-0.3 0.751 76.4 70.9 -63.3 -25.6 30.1 -0.3 60.8 6 27 A S G > S+ 0 0 83 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.806 87.5 66.7 -62.1 -27.3 26.9 -1.6 62.4 7 28 A W G X S+ 0 0 12 -3,-1.4 3,-1.5 1,-0.3 4,-0.4 0.700 81.9 74.7 -67.4 -21.2 25.1 -0.6 59.1 8 29 A N G X> S+ 0 0 71 -3,-1.5 4,-1.9 -4,-0.3 3,-1.7 0.775 77.5 78.7 -61.8 -23.7 27.0 -3.3 57.2 9 30 A K H <> S+ 0 0 64 -3,-1.4 4,-0.7 -4,-0.3 -1,-0.3 0.799 89.5 53.8 -54.1 -31.8 24.8 -5.8 59.0 10 31 A E H <4 S+ 0 0 64 -3,-1.5 4,-0.3 -4,-0.2 -1,-0.3 0.692 111.5 45.3 -78.0 -19.2 22.0 -4.9 56.5 11 32 A F H <4>S+ 0 0 8 -3,-1.7 5,-2.2 -4,-0.4 4,-0.4 0.718 98.1 71.4 -92.1 -28.1 24.4 -5.6 53.5 12 33 A S H ><5S+ 0 0 89 -4,-1.9 3,-1.2 1,-0.2 -2,-0.1 0.878 88.8 60.1 -60.6 -42.9 25.9 -8.9 54.8 13 34 A A T 3<5S+ 0 0 87 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.890 114.3 34.0 -53.9 -47.7 22.7 -11.1 54.3 14 35 A E T 3 5S- 0 0 80 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.335 106.6-121.1 -92.3 5.5 22.5 -10.5 50.5 15 36 A A T < 5 + 0 0 83 -3,-1.2 2,-0.4 -4,-0.4 -3,-0.2 0.898 53.9 171.9 54.6 39.9 26.3 -10.3 50.0 16 37 A V < - 0 0 18 -5,-2.2 2,-0.7 -6,-0.1 -1,-0.2 -0.672 30.7-152.8 -87.3 132.8 25.7 -6.8 48.6 17 38 A N + 0 0 112 -2,-0.4 202,-2.8 202,-0.3 2,-0.3 -0.922 51.0 107.4-101.5 107.4 28.6 -4.5 47.9 18 39 A G E -B 218 0A 5 -2,-0.7 2,-0.3 200,-0.3 200,-0.3 -0.912 54.7-118.2-161.6-173.1 27.2 -1.0 48.2 19 40 A V E -B 217 0A 0 198,-2.7 198,-1.9 -2,-0.3 2,-0.4 -0.998 8.2-159.8-145.1 144.5 27.1 2.1 50.3 20 41 A F E -B 216 0A 0 -2,-0.3 13,-0.9 196,-0.2 2,-0.5 -0.997 7.4-168.0-123.9 129.8 24.5 4.2 52.2 21 42 A V E -BC 215 32A 1 194,-2.7 194,-2.0 -2,-0.4 2,-0.4 -0.982 8.6-179.3-117.6 125.9 25.1 7.8 53.0 22 43 A L E -BC 214 31A 13 9,-2.8 9,-1.8 -2,-0.5 2,-0.4 -0.990 3.6-172.5-131.3 125.7 22.7 9.4 55.5 23 44 A a E -BC 213 30A 0 190,-3.1 190,-2.6 -2,-0.4 2,-0.5 -0.966 12.9-147.9-124.6 126.9 22.8 13.1 56.6 24 45 A K E S-B 212 0A 107 5,-1.7 2,-2.0 -2,-0.4 188,-0.2 -0.796 77.8 -21.6 -94.5 126.0 20.8 14.8 59.3 25 46 A S S S+ 0 0 60 186,-3.3 2,-0.3 -2,-0.5 -1,-0.1 -0.214 131.8 1.4 76.8 -50.3 19.9 18.5 58.9 26 47 A S S > S- 0 0 14 -2,-2.0 3,-1.5 3,-0.2 -2,-0.1 -0.966 80.2 -93.6-158.8 171.1 22.7 19.1 56.4 27 48 A S T 3 S+ 0 0 38 -2,-0.3 3,-0.3 1,-0.3 120,-0.1 0.386 111.6 76.7 -74.3 4.7 25.6 17.5 54.5 28 49 A K T 3 S+ 0 0 167 1,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.441 93.9 51.0 -92.6 -0.6 27.9 18.6 57.4 29 50 A S S < S+ 0 0 73 -3,-1.5 -5,-1.7 -5,-0.1 2,-0.3 -0.669 79.9 152.6-136.1 78.0 26.6 15.8 59.6 30 51 A a E - C 0 23A 20 -3,-0.3 -28,-0.8 -2,-0.2 2,-0.3 -0.758 23.5-171.1-114.4 156.4 26.9 12.5 57.6 31 52 A A E +aC 2 22A 20 -9,-1.8 -9,-2.8 -2,-0.3 2,-0.3 -0.979 10.0 173.1-140.5 150.0 27.3 8.8 58.3 32 53 A T E -aC 3 21A 0 -30,-1.1 -28,-3.7 -2,-0.3 3,-0.2 -0.969 38.7-129.0-152.7 162.8 27.9 5.9 56.1 33 54 A N S S+ 0 0 3 -13,-0.9 2,-0.3 -2,-0.3 -25,-0.1 0.659 102.4 33.0 -86.6 -20.0 28.7 2.2 56.2 34 55 A D > - 0 0 53 -14,-0.3 4,-2.0 1,-0.1 -1,-0.3 -0.843 58.7-171.8-145.5 102.4 31.7 2.5 53.8 35 56 A L H > S+ 0 0 75 -2,-0.3 4,-0.7 -3,-0.2 -1,-0.1 0.881 89.3 50.9 -59.6 -42.4 33.9 5.6 53.8 36 57 A A H >4 S+ 0 0 81 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.964 114.6 40.5 -62.3 -53.4 35.8 4.5 50.7 37 58 A R H >4 S+ 0 0 21 1,-0.2 3,-1.3 2,-0.2 105,-0.4 0.781 98.8 77.4 -69.3 -26.3 32.8 3.7 48.5 38 59 A A H 3< S+ 0 0 0 -4,-2.0 105,-2.2 1,-0.3 104,-0.3 0.815 105.9 32.8 -53.4 -34.9 30.9 6.8 49.8 39 60 A S T << S+ 0 0 76 -3,-0.9 -1,-0.3 -4,-0.7 2,-0.2 0.353 92.2 115.1-105.5 4.1 33.0 9.1 47.5 40 61 A K < - 0 0 123 -3,-1.3 102,-0.5 -4,-0.3 2,-0.4 -0.562 64.8-127.6 -74.4 138.4 33.5 6.5 44.7 41 62 A E E +G 141 0B 81 -2,-0.2 2,-0.3 100,-0.2 100,-0.3 -0.727 31.3 171.8 -99.0 136.6 31.8 7.7 41.4 42 63 A Y E -G 140 0B 26 98,-2.5 98,-2.4 -2,-0.4 156,-0.0 -0.890 46.0 -74.8-133.1 162.5 29.4 5.7 39.4 43 64 A L - 0 0 31 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.357 38.8-143.0 -53.1 131.1 27.1 6.2 36.4 44 65 A P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.770 31.7 176.7 -70.2 -25.7 24.1 8.2 37.7 45 66 A A G > - 0 0 2 88,-1.9 3,-2.3 1,-0.3 4,-0.1 -0.237 68.9 -5.1 51.3-154.1 21.7 6.2 35.4 46 67 A S G > S+ 0 0 16 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.576 122.5 76.2 -32.6 -25.0 18.0 7.4 36.1 47 68 A T G X S+ 0 0 0 -3,-1.9 3,-1.8 1,-0.3 -1,-0.3 0.798 80.9 72.9 -67.9 -28.6 19.0 9.7 39.0 48 69 A F G <> S+ 0 0 0 -3,-2.3 4,-2.6 1,-0.3 -1,-0.3 0.675 74.8 80.9 -53.6 -18.5 20.2 12.0 36.3 49 70 A X H <> S+ 0 0 0 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.805 84.5 62.7 -62.4 -23.2 16.6 12.8 35.5 50 71 A I H <> S+ 0 0 2 -3,-1.8 4,-1.9 -4,-0.2 -1,-0.2 0.995 111.5 31.6 -65.7 -62.4 16.7 15.2 38.4 51 72 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.905 118.0 58.1 -61.5 -36.8 19.3 17.6 37.0 52 73 A N H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.906 107.2 47.5 -58.9 -42.7 18.1 16.9 33.5 53 74 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.913 111.6 49.4 -64.6 -43.2 14.6 18.1 34.4 54 75 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.927 113.8 46.1 -62.8 -43.3 15.9 21.2 36.1 55 76 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 6,-0.3 0.898 108.7 55.7 -66.5 -41.6 18.0 22.0 33.1 56 77 A G H <>S+ 0 0 0 -4,-2.6 6,-2.6 -5,-0.2 5,-1.0 0.908 112.8 42.7 -56.3 -43.3 15.1 21.3 30.7 57 78 A L H ><5S+ 0 0 10 -4,-2.2 3,-0.8 4,-0.2 -2,-0.2 0.912 112.8 52.7 -68.3 -43.8 13.0 23.8 32.6 58 79 A E H 3<5S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.871 112.6 43.5 -61.6 -40.0 15.9 26.4 32.9 59 80 A T T 3<5S- 0 0 27 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.501 112.9-116.1 -85.1 -7.1 16.6 26.4 29.1 60 81 A G T < 5S+ 0 0 53 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.495 83.7 121.6 83.3 3.4 12.9 26.5 28.2 61 82 A V S S- 0 0 37 102,-0.0 3,-1.6 99,-0.0 -1,-0.2 -0.924 71.0 -66.5-169.8-174.0 6.5 24.6 32.7 65 86 A E T 3 S+ 0 0 25 1,-0.3 22,-0.5 -2,-0.3 23,-0.3 0.625 125.2 56.6 -67.8 -13.9 5.2 22.0 35.2 66 87 A H T 3 S+ 0 0 54 20,-0.1 -1,-0.3 21,-0.1 2,-0.1 0.307 73.7 130.7-101.8 9.2 2.1 21.2 33.2 67 88 A Q < - 0 0 54 -3,-1.6 20,-0.6 1,-0.1 2,-0.5 -0.387 48.5-145.2 -63.1 135.7 3.9 20.3 29.9 68 89 A V E -H 86 0C 50 18,-0.2 2,-0.8 -2,-0.1 18,-0.2 -0.890 2.6-145.9-105.2 133.9 2.6 17.0 28.6 69 90 A F E -H 85 0C 24 16,-3.4 16,-2.1 -2,-0.5 2,-0.2 -0.883 25.8-146.7 -99.5 103.2 5.0 14.7 26.8 70 91 A K - 0 0 168 -2,-0.8 2,-0.4 14,-0.2 14,-0.1 -0.488 6.1-127.4 -78.9 140.2 2.8 13.1 24.1 71 92 A W - 0 0 19 739,-0.2 13,-0.1 -2,-0.2 11,-0.1 -0.700 8.4-152.1 -82.6 137.0 3.3 9.5 22.9 72 93 A D - 0 0 60 -2,-0.4 -1,-0.1 2,-0.2 10,-0.1 0.387 42.8-109.6 -90.7 1.9 3.7 9.2 19.2 73 94 A G S S+ 0 0 8 1,-0.3 738,-0.1 737,-0.1 3,-0.1 0.473 78.6 128.8 83.8 2.9 2.3 5.7 19.1 74 95 A K - 0 0 42 1,-0.1 -1,-0.3 793,-0.0 -2,-0.2 -0.643 69.2 -83.5 -92.3 149.6 5.7 4.2 18.3 75 96 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.165 43.6-169.2 -57.3 137.6 7.2 1.4 20.3 76 97 A R - 0 0 47 2,-0.1 6,-0.1 -3,-0.1 5,-0.0 -0.836 35.1-110.1-120.8 161.8 9.1 2.1 23.5 77 98 A A S S+ 0 0 91 -2,-0.3 2,-0.4 1,-0.1 3,-0.1 0.769 104.5 42.8 -65.4 -28.1 11.2 -0.3 25.5 78 99 A M S > S- 0 0 100 1,-0.1 3,-1.8 0, 0.0 4,-0.3 -0.977 71.9-142.4-123.8 134.0 8.7 -0.4 28.4 79 100 A K G > S+ 0 0 96 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.841 102.2 67.0 -59.0 -33.0 5.0 -0.6 28.0 80 101 A Q G 3 S+ 0 0 49 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.670 98.7 52.7 -61.9 -18.3 4.7 1.8 31.0 81 102 A W G < S+ 0 0 30 -3,-1.8 2,-1.9 1,-0.1 -1,-0.3 0.505 81.0 96.4 -94.8 -7.7 6.2 4.5 28.7 82 103 A E S < S+ 0 0 51 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.1 -0.434 76.7 63.2 -85.9 67.0 3.7 4.0 25.9 83 104 A R S S- 0 0 82 -2,-1.9 2,-0.1 -14,-0.1 -11,-0.1 -0.961 96.7 -74.2-172.8 161.8 1.3 6.8 26.9 84 105 A D - 0 0 49 -2,-0.3 2,-0.3 726,-0.3 -14,-0.2 -0.485 53.9-166.6 -66.0 142.4 1.2 10.5 27.4 85 106 A L E -H 69 0C 3 -16,-2.1 -16,-3.4 -2,-0.1 2,-0.1 -0.976 17.7-135.3-135.5 145.0 3.1 11.6 30.5 86 107 A T E > -H 68 0C 28 -2,-0.3 4,-2.8 -18,-0.2 5,-0.2 -0.356 42.8 -97.5 -81.3 176.2 3.4 14.7 32.6 87 108 A L H > S+ 0 0 2 -20,-0.6 4,-2.0 -22,-0.5 5,-0.2 0.945 128.5 46.9 -61.1 -45.5 6.8 15.9 33.8 88 109 A R H > S+ 0 0 22 -23,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.915 112.5 49.9 -61.9 -44.3 6.2 14.2 37.2 89 110 A G H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 108.5 51.9 -60.1 -45.0 5.0 11.0 35.5 90 111 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.3 0.878 114.3 43.7 -62.3 -38.7 8.0 10.9 33.2 91 112 A I H ><5S+ 0 0 1 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.960 114.1 49.3 -68.6 -49.1 10.4 11.2 36.1 92 113 A Q H 3<5S+ 0 0 38 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.823 117.5 39.3 -63.4 -34.7 8.5 8.7 38.3 93 114 A V T 3<5S- 0 0 28 -4,-2.6 -1,-0.3 -5,-0.2 3,-0.2 0.408 109.3-124.3 -94.0 3.7 8.3 6.0 35.6 94 115 A S T < 5 - 0 0 20 -3,-1.2 2,-1.9 -4,-0.3 -3,-0.2 0.926 30.8-165.4 53.7 53.0 11.8 6.8 34.5 95 116 A A >>< - 0 0 0 -5,-2.5 4,-1.5 1,-0.2 3,-0.9 -0.476 5.9-173.0 -73.5 84.3 10.8 7.4 30.9 96 117 A V H 3> S+ 0 0 27 -2,-1.9 4,-2.2 1,-0.2 5,-0.2 0.866 76.5 54.3 -47.4 -53.1 14.2 7.3 29.3 97 118 A P H 3> S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.846 105.1 55.1 -57.1 -34.1 13.1 8.4 25.7 98 119 A V H <> S+ 0 0 8 -3,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.939 112.7 41.6 -62.6 -46.0 11.4 11.5 27.0 99 120 A F H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.786 108.2 59.8 -76.7 -24.8 14.6 12.7 28.8 100 121 A Q H X S+ 0 0 26 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.926 108.0 46.3 -65.2 -41.5 16.8 11.7 25.9 101 122 A Q H X S+ 0 0 11 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.897 110.3 53.3 -67.6 -37.8 14.9 14.1 23.7 102 123 A I H X S+ 0 0 4 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.950 108.8 50.2 -59.4 -46.5 15.1 16.8 26.4 103 124 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.901 108.0 52.6 -59.9 -43.6 18.9 16.3 26.5 104 125 A R H < S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 111.5 46.1 -58.6 -42.6 19.1 16.6 22.7 105 126 A E H < S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 111.1 52.2 -71.4 -34.9 17.2 19.9 22.8 106 127 A V H < S- 0 0 4 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.945 102.6-155.9 -62.8 -49.0 19.3 21.2 25.7 107 128 A G X - 0 0 21 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.188 26.8 -78.8 86.0 154.8 22.5 20.4 23.7 108 129 A E H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 123.9 52.7 -56.2 -45.8 26.1 19.7 24.8 109 130 A V H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.944 115.4 39.1 -60.2 -49.7 27.1 23.3 25.4 110 131 A R H > S+ 0 0 89 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.891 114.5 54.3 -69.1 -38.0 24.2 24.1 27.8 111 132 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.947 109.0 48.4 -60.7 -47.3 24.4 20.7 29.4 112 133 A Q H X S+ 0 0 72 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.903 110.7 51.6 -58.8 -44.3 28.1 21.2 30.2 113 134 A K H X S+ 0 0 94 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.921 111.5 46.0 -60.4 -45.6 27.5 24.6 31.6 114 135 A Y H X S+ 0 0 21 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.884 109.6 52.7 -70.2 -36.8 24.7 23.5 34.0 115 136 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.4 0.817 109.7 51.4 -67.5 -29.4 26.6 20.4 35.3 116 137 A K H ><5S+ 0 0 148 -4,-1.6 3,-1.2 -5,-0.2 -2,-0.2 0.941 110.8 47.2 -68.1 -48.5 29.5 22.8 36.1 117 138 A K H 3<5S+ 0 0 105 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.878 115.1 47.0 -58.9 -37.5 27.1 25.1 38.0 118 139 A F T 3<5S- 0 0 9 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.487 103.4-130.2 -83.0 -5.2 25.6 22.1 39.8 119 140 A S T < 5 - 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0 0 57 -14,-0.4 4,-2.1 1,-0.1 -1,-0.2 -0.827 59.5-165.5-150.4 105.5 23.6 8.6 -2.8 769 56 D L H > S+ 0 0 74 -2,-0.3 4,-0.9 -3,-0.2 -1,-0.1 0.889 91.5 51.1 -55.8 -45.7 24.1 5.4 -4.7 770 57 D A H >4 S+ 0 0 80 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.947 114.1 41.6 -61.0 -50.7 25.1 3.3 -1.7 771 58 D R H >4 S+ 0 0 23 1,-0.2 3,-0.8 2,-0.2 104,-0.4 0.797 102.1 70.5 -70.9 -25.3 22.1 4.3 0.5 772 59 D A H 3< S+ 0 0 0 -4,-2.1 104,-2.1 1,-0.3 103,-0.4 0.828 108.5 36.1 -58.6 -32.1 19.7 4.0 -2.4 773 60 D S T << S+ 0 0 76 -4,-0.9 -1,-0.3 -3,-0.9 2,-0.2 0.416 92.3 112.6-101.8 -1.1 20.1 0.2 -2.3 774 61 D K < - 0 0 118 -3,-0.8 101,-0.5 -4,-0.4 2,-0.4 -0.538 65.6-129.5 -73.8 138.0 20.4 -0.0 1.5 775 62 D E E +E 874 0K 85 -2,-0.2 2,-0.3 99,-0.2 99,-0.3 -0.777 30.3 173.9-102.1 131.0 17.5 -1.8 3.1 776 63 D Y E -E 873 0K 30 97,-2.5 97,-2.3 -2,-0.4 155,-0.0 -0.863 44.4 -78.8-127.4 160.1 15.5 -0.4 6.1 777 64 D L - 0 0 35 -2,-0.3 95,-0.2 95,-0.2 144,-0.1 -0.361 38.4-145.1 -53.8 130.2 12.4 -1.3 8.1 778 65 D P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.748 26.6-178.2 -73.3 -23.3 9.5 -0.2 6.0 779 66 D A G > - 0 0 0 87,-2.5 3,-2.2 1,-0.3 4,-0.1 -0.265 69.4 -10.0 52.4-140.3 7.3 0.9 9.0 780 67 D S G > S+ 0 0 29 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.542 119.7 81.5 -72.1 -2.0 3.9 2.1 7.8 781 68 D T G X S+ 0 0 0 -3,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.777 81.2 72.7 -65.9 -18.4 4.9 2.2 4.1 782 69 D F G <> S+ 0 0 1 -3,-2.2 4,-2.5 1,-0.3 -1,-0.3 0.654 72.5 82.8 -67.8 -14.8 4.1 -1.5 4.5 783 70 D K H <> S+ 0 0 15 -3,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.807 83.6 62.9 -58.0 -27.1 0.4 -0.5 4.7 784 71 D I H <> S+ 0 0 2 -3,-1.5 4,-2.0 -4,-0.2 -1,-0.2 0.991 110.4 32.5 -65.6 -62.2 0.5 -0.4 0.9 785 72 D P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.918 118.7 56.1 -60.4 -39.3 1.3 -4.1 0.3 786 73 D N H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.913 107.9 48.3 -59.0 -42.3 -0.7 -5.1 3.4 787 74 D A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.921 112.5 47.6 -63.9 -44.9 -3.8 -3.4 2.1 788 75 D I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.931 114.5 46.8 -61.6 -44.4 -3.5 -5.1 -1.3 789 76 D I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 6,-0.3 0.898 109.3 54.9 -66.1 -39.9 -2.9 -8.5 0.3 790 77 D G H X>S+ 0 0 0 -4,-2.8 6,-2.2 -5,-0.2 5,-0.9 0.917 112.5 43.2 -58.6 -43.5 -5.9 -7.8 2.7 791 78 D L H ><5S+ 0 0 10 -4,-2.3 3,-0.6 4,-0.2 -2,-0.2 0.909 112.8 52.0 -68.8 -40.9 -8.1 -7.2 -0.4 792 79 D E H 3<5S+ 0 0 57 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.875 113.3 43.4 -64.2 -39.0 -6.7 -10.1 -2.4 793 80 D T H 3<5S- 0 0 27 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.544 112.8-116.6 -83.7 -11.0 -7.3 -12.6 0.4 794 81 D G T <<5S+ 0 0 51 -4,-0.6 -3,-0.2 -3,-0.6 -4,-0.1 0.446 82.8 121.9 87.3 0.6 -10.7 -11.3 1.2 795 82 D V S S- 0 0 46 101,-0.0 3,-1.6 98,-0.0 -1,-0.2 -0.929 70.8 -68.1-163.5-173.7 -14.2 -4.4 -0.5 799 86 D E T 3 S+ 0 0 27 -2,-0.3 21,-0.5 1,-0.3 22,-0.3 0.726 125.5 52.6 -62.5 -20.9 -13.3 -0.7 -0.9 800 87 D H T 3 S+ 0 0 56 19,-0.1 -1,-0.3 20,-0.1 2,-0.0 0.333 73.8 132.3-102.8 8.3 -16.2 0.4 1.3 801 88 D Q < - 0 0 52 -3,-1.6 19,-0.5 1,-0.1 2,-0.5 -0.342 46.9-145.2 -59.3 136.5 -15.4 -1.7 4.4 802 89 D V - 0 0 52 17,-0.2 2,-0.9 18,-0.1 17,-0.2 -0.915 3.2-144.2-106.0 129.0 -15.6 0.3 7.6 803 90 D F B -F 818 0L 28 15,-3.5 15,-2.2 -2,-0.5 2,-0.2 -0.836 23.9-153.0 -94.2 104.8 -13.1 -0.7 10.4 804 91 D K - 0 0 169 -2,-0.9 2,-0.3 13,-0.2 13,-0.1 -0.522 13.2-116.0 -83.6 145.0 -15.1 -0.2 13.6 805 92 D W - 0 0 116 -2,-0.2 12,-0.1 1,-0.2 10,-0.1 -0.572 22.1-164.4 -78.2 138.0 -13.4 0.6 16.9 806 93 D D 0 0 143 -2,-0.3 -1,-0.2 1,-0.2 9,-0.0 0.891 360.0 360.0 -83.6 -86.9 -13.8 -1.9 19.7 807 94 D G 0 0 77 0, 0.0 -1,-0.2 0, 0.0 8,-0.0 -0.959 360.0 360.0-173.2 360.0 -12.9 -0.4 23.1 808 ! 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 0.0 809 97 D R 0 0 95 0, 0.0 6,-0.1 0, 0.0 -726,-0.0 0.000 360.0 360.0 360.0 150.1 -6.3 3.3 23.9 810 98 D A + 0 0 46 -728,-0.1 2,-0.4 1,-0.1 -726,-0.3 0.603 360.0 56.3 -71.5 -13.7 -3.1 5.3 24.6 811 99 D M S > S- 0 0 30 1,-0.1 3,-0.9 -728,-0.1 -1,-0.1 -0.989 71.3-153.2-122.6 128.2 -3.8 7.1 21.2 812 100 D K G > S+ 0 0 89 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 0.792 95.2 68.8 -68.5 -27.2 -7.1 8.8 20.6 813 101 D Q G > S+ 0 0 35 1,-0.3 3,-0.8 2,-0.1 -1,-0.2 0.794 93.5 57.8 -60.2 -28.3 -6.6 8.2 16.9 814 102 D W G < S+ 0 0 43 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.367 93.1 71.1 -86.7 7.7 -7.1 4.5 17.6 815 103 D E G < S+ 0 0 35 -3,-1.8 2,-0.3 -10,-0.1 -1,-0.2 0.124 83.2 82.2-109.6 17.2 -10.6 5.1 19.0 816 104 D R S < S- 0 0 96 -3,-0.8 2,-0.3 -12,-0.1 -10,-0.1 -0.851 80.0-108.1-121.4 158.2 -12.5 6.0 15.9 817 105 D D - 0 0 62 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.635 44.4-168.9 -76.5 143.9 -14.2 4.1 13.0 818 106 D L B -F 803 0L 6 -15,-2.2 -15,-3.5 -2,-0.3 2,-0.1 -0.968 21.9-132.6-138.6 151.5 -12.3 4.4 9.8 819 107 D T > - 0 0 30 -2,-0.3 4,-2.9 -17,-0.2 5,-0.2 -0.360 45.5 -96.6 -83.9 177.1 -12.6 3.6 6.1 820 108 D L H > S+ 0 0 4 -19,-0.5 4,-1.9 -21,-0.5 5,-0.2 0.938 129.3 48.5 -62.2 -43.8 -9.8 1.9 4.2 821 109 D R H > S+ 0 0 19 -22,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.932 112.3 48.4 -61.9 -45.2 -8.5 5.2 3.1 822 110 D G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.916 109.0 52.9 -60.2 -43.0 -8.7 6.6 6.6 823 111 D A H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 113.7 44.1 -63.8 -32.8 -6.9 3.5 8.0 824 112 D I H < S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.917 118.9 41.0 -75.6 -43.2 -4.1 4.0 5.6 825 113 D Q H < S+ 0 0 44 -4,-2.7 2,-0.3 -402,-0.3 -2,-0.2 0.666 114.1 48.3 -86.5 -18.4 -3.7 7.8 6.0 826 114 D V S < S- 0 0 22 -4,-2.3 2,-0.2 -5,-0.2 -8,-0.0 -0.811 102.1 -81.2-116.4 161.6 -4.1 8.1 9.7 827 115 D S + 0 0 49 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.1 -0.458 59.8 152.3 -60.4 124.1 -2.5 6.3 12.6 828 116 D A >> + 0 0 3 -2,-0.2 4,-1.5 -5,-0.2 3,-0.6 -0.344 5.2 162.7-155.8 56.9 -4.4 3.0 13.0 829 117 D V H 3> S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.891 73.9 52.0 -53.6 -50.2 -2.1 0.5 14.5 830 118 D P H 3> S+ 0 0 54 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.838 105.3 58.0 -58.2 -35.3 -4.7 -2.1 15.6 831 119 D V H <> S+ 0 0 26 -3,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.951 111.9 37.5 -61.6 -53.4 -6.4 -2.1 12.2 832 120 D F H X S+ 0 0 6 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.800 112.8 58.2 -74.3 -25.0 -3.3 -3.2 10.3 833 121 D Q H X S+ 0 0 53 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.944 109.9 45.0 -64.0 -45.1 -2.1 -5.5 13.1 834 122 D Q H X S+ 0 0 84 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.883 110.6 53.5 -67.8 -39.4 -5.5 -7.4 12.8 835 123 D I H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.952 110.2 47.8 -58.2 -49.1 -5.3 -7.5 9.0 836 124 D A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.899 110.6 51.4 -60.5 -41.9 -1.8 -9.0 9.1 837 125 D R H < S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.909 111.9 46.8 -61.1 -42.6 -3.0 -11.6 11.7 838 126 D E H < S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.860 110.2 52.0 -70.0 -37.7 -5.9 -12.6 9.5 839 127 D V H < S- 0 0 3 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.951 103.0-155.5 -60.6 -49.8 -3.8 -12.9 6.4 840 128 D G X - 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