==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, TRANSFERASE 16-MAY-11 3S1S . COMPND 2 MOLECULE: RESTRICTION ENDONUCLEASE BPUSI; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PUMILUS; . AUTHOR B.W.SHEN,D.XU,S.-H.CHAN,Y.ZHENG,Y.ZHU,S.-Y.XU,B.L.STODDARD . 871 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 56 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 4 0 1 1 1 2 4 4 3 0 2 2 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 2 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 PARALLEL BRIDGES PER LADDER . 7 3 2 3 2 0 2 1 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 . 4 0 0 1 0 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 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 L 0 0 178 0, 0.0 147,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.5 105.5 88.0 49.0 2 7 A N - 0 0 30 1,-0.2 2,-0.7 28,-0.1 146,-0.1 0.995 360.0-158.3 56.8 75.0 103.9 86.3 45.9 3 8 A N - 0 0 123 144,-0.1 2,-0.4 145,-0.0 -1,-0.2 -0.808 6.2-146.6 -86.0 118.2 107.0 84.5 44.8 4 9 A C - 0 0 41 -2,-0.7 140,-0.1 1,-0.1 19,-0.0 -0.749 17.4-168.8 -89.2 131.0 106.6 83.6 41.1 5 10 A V + 0 0 128 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.329 58.5 104.1 -97.1 6.5 108.1 80.3 39.8 6 11 A F - 0 0 51 1,-0.1 -2,-0.1 17,-0.0 3,-0.1 -0.709 48.8-170.3 -98.4 138.8 107.5 81.4 36.2 7 12 A S S S+ 0 0 95 -2,-0.3 2,-0.3 1,-0.2 136,-0.2 0.698 73.1 29.9 -92.1 -25.2 110.1 82.6 33.7 8 13 A Y - 0 0 193 135,-0.1 -1,-0.2 134,-0.1 134,-0.0 -0.960 66.1-130.8-137.1 153.2 107.6 83.7 31.0 9 14 A L - 0 0 22 -2,-0.3 11,-0.1 130,-0.3 134,-0.0 -0.675 48.4 -93.2 -91.1 156.9 104.2 85.0 30.4 10 15 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.156 25.2-132.9 -69.0 163.0 102.2 83.2 27.7 11 16 A S > - 0 0 77 1,-0.1 3,-2.5 4,-0.0 8,-0.1 -0.885 30.1-113.3-100.6 149.2 101.8 84.0 24.0 12 17 A Y T 3 S+ 0 0 69 -2,-0.4 4,-0.1 1,-0.3 520,-0.1 0.815 117.7 55.4 -47.7 -36.6 98.3 84.0 22.6 13 18 A G T 3 S+ 0 0 17 518,-0.1 519,-1.7 2,-0.1 520,-0.3 0.479 83.2 112.9 -79.9 -3.3 99.4 81.0 20.5 14 19 A D S < S- 0 0 40 -3,-2.5 2,-0.2 517,-0.2 516,-0.1 -0.417 83.9 -92.1 -70.2 143.9 100.5 78.8 23.5 15 20 A D >> - 0 0 28 514,-0.2 4,-2.2 1,-0.1 5,-0.6 -0.378 36.6-141.7 -49.5 117.0 98.6 75.7 24.5 16 21 A E H >>S+ 0 0 0 512,-2.7 5,-2.0 1,-0.2 4,-1.2 0.899 95.1 45.0 -55.4 -48.5 96.1 76.9 27.1 17 22 A V H 45S+ 0 0 31 1,-0.2 -1,-0.2 3,-0.2 512,-0.1 0.916 119.0 41.6 -66.2 -42.9 96.3 73.9 29.4 18 23 A S H 45S+ 0 0 78 3,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.767 130.7 20.5 -72.3 -32.5 100.1 73.6 29.4 19 24 A V H X5S+ 0 0 44 -4,-2.2 4,-0.6 3,-0.1 -3,-0.2 0.821 127.3 35.3-112.7 -46.3 100.9 77.3 29.6 20 25 A Y H >X S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.877 111.9 47.5 -60.6 -33.8 99.7 76.6 35.7 23 28 A I H S+ 0 0 1 -4,-1.8 5,-1.7 -3,-0.2 6,-1.3 0.887 113.1 47.5 -65.2 -40.6 93.7 81.9 49.2 33 38 A V H ><5S+ 0 0 79 -4,-2.0 3,-1.7 3,-0.2 -2,-0.2 0.969 108.0 54.3 -66.4 -52.3 96.9 81.9 51.2 34 39 A N H 3<5S+ 0 0 63 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.852 117.7 36.7 -48.8 -39.0 97.2 85.7 51.3 35 40 A T H 3<5S- 0 0 41 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.479 108.9-122.0 -93.8 -1.7 93.7 85.9 52.7 36 41 A G T X<5S+ 0 0 38 -3,-1.7 3,-0.7 -4,-0.5 -3,-0.2 0.675 77.4 124.9 65.3 18.7 94.0 82.8 54.9 37 42 A L G >>< + 0 0 31 -5,-1.7 4,-3.2 -6,-0.3 3,-1.7 0.590 45.7 89.4 -83.2 -9.9 91.0 81.3 53.1 38 43 A D G 34 S+ 0 0 61 -6,-1.3 -1,-0.2 1,-0.3 -5,-0.1 0.583 78.3 64.6 -57.5 -14.3 93.0 78.2 52.2 39 44 A S G <4 S+ 0 0 86 -3,-0.7 -1,-0.3 -7,-0.2 -2,-0.1 0.766 117.7 25.1 -77.3 -26.7 91.9 76.6 55.5 40 45 A T T <4 S+ 0 0 55 -3,-1.7 21,-3.0 1,-0.2 22,-0.4 0.768 123.1 47.3-104.8 -40.0 88.3 76.7 54.2 41 46 A Y E < -A 60 0A 15 -4,-3.2 2,-0.3 19,-0.2 19,-0.2 -0.830 57.9-161.0-116.5 146.7 88.7 76.6 50.4 42 47 A E E -A 59 0A 69 17,-2.9 17,-2.7 -2,-0.3 2,-0.6 -0.906 20.9-125.7-117.1 150.9 90.7 74.5 47.9 43 48 A V E -A 58 0A 17 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.867 27.2-168.1 -89.8 122.3 91.6 75.2 44.2 44 49 A V E -A 57 0A 32 13,-2.2 13,-2.0 -2,-0.6 3,-0.4 -0.974 8.3-151.0-116.3 126.1 90.5 72.4 41.9 45 50 A H E S+A 56 0A 55 -2,-0.5 11,-0.2 1,-0.2 10,-0.1 -0.706 78.5 6.5 -89.0 139.6 91.8 72.2 38.3 46 51 A H E S- 0 0 60 9,-2.6 2,-0.5 -2,-0.3 -1,-0.2 0.925 81.5-170.5 52.3 59.1 89.5 70.5 35.8 47 52 A E E -A 54 0A 23 7,-1.2 7,-2.8 -3,-0.4 2,-0.4 -0.681 20.5-129.2 -84.7 124.1 86.5 69.9 38.0 48 53 A L E -A 53 0A 50 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.602 28.5-178.9 -74.6 127.2 83.8 67.7 36.6 49 54 A V E > -A 52 0A 3 3,-3.9 3,-2.6 -2,-0.4 46,-0.1 -0.952 58.9 -56.9-132.2 107.9 80.4 69.4 36.9 50 55 A G T 3 S- 0 0 52 -2,-0.4 -1,-0.1 1,-0.3 45,-0.0 -0.338 121.8 -18.2 50.2-131.0 77.5 67.4 35.5 51 56 A S T 3 S+ 0 0 42 446,-0.1 448,-0.8 -3,-0.1 2,-0.3 0.325 129.9 69.6 -83.1 7.7 78.4 66.7 31.9 52 57 A I E < S-A 49 0A 0 -3,-2.6 -3,-3.9 446,-0.1 2,-0.5 -0.818 70.5-130.7-130.1 165.0 81.1 69.4 31.6 53 58 A E E -A 48 0A 49 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.960 16.7-148.1-122.4 125.7 84.5 70.2 33.0 54 59 A A E -A 47 0A 0 -7,-2.8 -7,-1.2 -2,-0.5 -8,-0.2 -0.719 14.8-135.7 -92.0 142.3 85.4 73.6 34.6 55 60 A D E S- 0 0 7 -2,-0.3 -9,-2.6 1,-0.3 2,-0.3 0.980 86.7 -3.8 -56.5 -57.7 88.9 75.0 34.2 56 61 A F E -AB 45 70A 0 14,-2.2 14,-3.5 -11,-0.2 2,-0.4 -0.999 60.7-173.1-139.5 141.6 89.0 76.0 37.9 57 62 A V E -AB 44 69A 0 -13,-2.0 -13,-2.2 -2,-0.3 2,-0.6 -0.979 22.1-139.8-124.3 144.7 86.6 76.0 40.9 58 63 A I E -AB 43 68A 0 10,-2.7 9,-2.7 -2,-0.4 10,-1.2 -0.956 38.4-168.5 -96.8 119.3 87.1 77.4 44.3 59 64 A K E -AB 42 66A 28 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.4 -0.896 26.0-117.1-124.7 138.5 85.6 74.7 46.4 60 65 A N E > -A 41 0A 16 5,-2.7 4,-2.5 -2,-0.4 -19,-0.2 -0.614 20.9-148.7 -76.3 123.1 84.6 74.4 50.1 61 66 A K T 4 S+ 0 0 84 -21,-3.0 -1,-0.1 -2,-0.4 -20,-0.1 0.888 93.4 35.3 -61.8 -44.3 86.7 71.7 51.8 62 67 A Q T 4 S+ 0 0 181 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.898 130.2 29.2 -81.5 -41.1 84.0 70.7 54.3 63 68 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.666 89.6-135.3 -95.2 -17.9 80.8 71.1 52.2 64 69 A K < + 0 0 98 -4,-2.5 2,-0.2 1,-0.2 -3,-0.1 0.679 57.0 141.5 69.7 19.8 82.2 70.4 48.6 65 70 A K - 0 0 89 -5,-0.1 -5,-2.7 34,-0.1 2,-0.5 -0.620 54.3-107.7 -95.0 156.2 80.2 73.4 47.4 66 71 A Y E +Bc 59 99A 4 32,-2.4 34,-3.1 -2,-0.2 35,-1.8 -0.711 31.5 172.6 -93.9 120.8 81.3 76.0 44.8 67 72 A L E S+ 0 0 0 -9,-2.7 36,-0.7 -2,-0.5 2,-0.3 0.852 74.9 3.0 -79.6 -44.2 82.3 79.5 45.7 68 73 A L E -Bc 58 103A 1 -10,-1.2 -10,-2.7 34,-0.1 2,-0.5 -0.992 56.8-149.1-152.7 132.5 83.6 80.5 42.3 69 74 A I E -Bc 57 104A 3 34,-1.5 36,-2.4 -2,-0.3 2,-0.5 -0.927 17.5-164.8-101.4 129.0 83.9 79.1 38.8 70 75 A V E -Bc 56 105A 1 -14,-3.5 -14,-2.2 -2,-0.5 2,-0.5 -0.960 3.9-170.5-117.8 118.1 86.9 80.3 36.7 71 76 A E E - c 0 106A 2 34,-2.7 36,-2.1 -2,-0.5 2,-0.4 -0.924 12.6-148.7-105.7 130.5 87.1 79.7 33.0 72 77 A V E + c 0 107A 0 -2,-0.5 2,-0.3 34,-0.2 36,-0.2 -0.825 17.8 174.8-102.8 135.0 90.3 80.5 31.1 73 78 A K - 0 0 2 34,-3.1 3,-0.0 -2,-0.4 6,-0.0 -0.807 29.9-131.3-126.0 170.2 90.6 81.7 27.6 74 79 A R S S+ 0 0 1 -2,-0.3 2,-0.3 35,-0.1 -1,-0.1 0.850 79.7 47.6 -91.1 -43.7 93.7 82.8 25.6 75 80 A T S > S- 0 0 3 1,-0.1 4,-1.2 32,-0.1 3,-0.4 -0.693 72.1-126.6-109.1 155.2 92.7 86.1 24.0 76 81 A K H > S+ 0 0 22 -2,-0.3 4,-1.4 1,-0.2 5,-0.2 0.843 111.7 59.6 -59.3 -37.2 91.1 89.3 25.1 77 82 A S H 4 S+ 0 0 21 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.848 102.7 52.9 -63.8 -32.6 88.5 89.0 22.3 78 83 A Q H >4 S+ 0 0 1 -3,-0.4 3,-0.7 1,-0.2 6,-0.3 0.867 105.9 53.0 -65.9 -38.7 87.4 85.7 23.8 79 84 A V H 3< S+ 0 0 1 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.788 110.1 48.4 -68.5 -29.2 86.9 87.3 27.3 80 85 A S T 3< S+ 0 0 3 -4,-1.4 2,-0.3 188,-0.0 -1,-0.2 0.570 90.4 111.3 -81.2 -15.4 84.6 89.9 25.7 81 86 A S <> - 0 0 0 -3,-0.7 4,-1.6 -4,-0.4 3,-0.2 -0.495 61.0-150.0 -79.3 128.8 82.6 87.3 23.8 82 87 A T H > S+ 0 0 19 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.876 97.4 59.5 -58.1 -41.3 79.0 86.6 24.8 83 88 A R H > S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 109.2 41.5 -53.4 -49.5 79.4 83.0 23.7 84 89 A Y H > S+ 0 0 6 -6,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.739 110.8 57.2 -75.2 -21.7 82.2 82.3 26.1 85 90 A R H X S+ 0 0 4 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.891 108.1 47.7 -72.9 -37.5 80.5 84.2 28.8 86 91 A L H X S+ 0 0 50 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.802 109.3 54.2 -66.8 -35.6 77.5 81.9 28.4 87 92 A Q H X S+ 0 0 6 -4,-1.7 4,-0.8 -5,-0.2 -2,-0.2 0.936 111.1 44.2 -64.3 -46.8 79.8 78.9 28.5 88 93 A A H >X S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 4,-0.8 0.936 112.7 52.1 -63.1 -43.2 81.2 80.1 31.8 89 94 A Q H >X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 3,-0.8 0.863 98.9 67.8 -57.7 -35.8 77.7 80.9 33.1 90 95 A S H 3X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.791 90.4 60.6 -57.0 -34.9 76.7 77.3 32.2 91 96 A Y H < S+ 0 0 6 -4,-2.3 3,-2.7 -5,-0.2 -2,-0.2 0.866 78.8 143.3 -71.7 -36.3 76.3 73.0 39.4 96 101 A N G >< S+ 0 0 87 -4,-2.1 3,-2.5 1,-0.3 -1,-0.2 -0.041 72.3 24.3 29.8-104.7 73.0 74.5 40.8 97 102 A I G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.616 118.0 64.9 -60.1 -12.3 72.4 73.0 44.3 98 103 A K G < S+ 0 0 82 -3,-2.7 -32,-2.4 -6,-0.1 2,-0.3 0.370 84.6 106.4 -89.2 4.1 76.1 72.3 44.6 99 104 A V E < -c 66 0A 14 -3,-2.5 -32,-0.2 -34,-0.3 3,-0.1 -0.678 45.1-177.5 -91.0 132.6 76.7 76.1 44.6 100 105 A E E S+ 0 0 51 -34,-3.1 2,-0.3 1,-0.4 -33,-0.2 0.855 84.4 5.3 -83.8 -52.6 77.7 78.1 47.6 101 106 A Q E S- 0 0 43 -35,-1.8 -1,-0.4 2,-0.1 61,-0.1 -0.946 71.8-126.4-131.2 154.9 77.6 81.4 45.7 102 107 A H E + 0 0 70 -2,-0.3 15,-3.1 -3,-0.1 2,-0.3 0.066 62.9 131.1 -93.2 26.1 76.6 82.1 42.1 103 108 A Y E +cD 68 116A 0 -36,-0.7 -34,-1.5 13,-0.2 2,-0.3 -0.577 28.9 176.0 -85.7 137.4 79.8 83.9 41.1 104 109 A Y E -cD 69 115A 0 11,-2.4 11,-3.0 -2,-0.3 2,-0.3 -0.960 11.6-153.4-140.6 162.7 81.7 83.1 37.9 105 110 A C E -cD 70 114A 0 -36,-2.4 -34,-2.7 -2,-0.3 2,-0.4 -0.973 7.9-164.4-142.4 141.1 84.7 84.4 36.1 106 111 A L E +cD 71 113A 0 7,-2.4 7,-2.9 -2,-0.3 2,-0.3 -1.000 27.7 159.3-130.0 130.1 86.2 84.5 32.6 107 112 A T E -cD 72 112A 0 -36,-2.1 -34,-3.1 -2,-0.4 5,-0.2 -0.999 45.7-169.0-153.2 143.0 89.8 85.4 32.0 108 113 A N - 0 0 0 3,-1.4 2,-1.7 -2,-0.3 4,-0.1 -0.065 64.1-109.9-109.9 25.7 92.8 85.3 29.7 109 114 A L S S+ 0 0 0 2,-0.5 27,-0.1 1,-0.2 3,-0.1 -0.143 116.2 69.7 72.1 -43.4 95.0 86.4 32.7 110 115 A E S S+ 0 0 9 -2,-1.7 26,-2.5 1,-0.2 27,-1.5 0.890 112.1 25.3 -64.8 -40.5 95.5 89.8 31.0 111 116 A I E - E 0 135A 3 24,-0.2 -3,-1.4 25,-0.2 -2,-0.5 -0.976 69.5-160.8-128.5 137.7 91.8 90.7 31.6 112 117 A I E -DE 107 134A 0 22,-2.4 22,-3.1 -2,-0.4 2,-0.4 -0.989 2.8-168.0-118.9 125.3 89.4 89.3 34.3 113 118 A D E -D 106 0A 1 -7,-2.9 -7,-2.4 -2,-0.5 2,-0.4 -0.948 10.2-160.4-108.6 136.3 85.7 89.6 33.9 114 119 A F E +D 105 0A 0 -2,-0.4 15,-3.3 15,-0.4 2,-0.3 -0.959 14.0 173.6-128.3 127.9 83.7 88.8 37.0 115 120 A F E -DF 104 128A 0 -11,-3.0 -11,-2.4 -2,-0.4 2,-0.4 -0.883 26.6-144.0-135.3 160.9 80.0 87.9 37.0 116 121 A K E -D 103 0A 48 11,-1.8 2,-0.3 -2,-0.3 -13,-0.2 -0.960 24.5-134.5-130.0 114.7 77.1 86.7 39.2 117 122 A H + 0 0 15 -15,-3.1 -15,-0.1 -2,-0.4 3,-0.1 -0.511 24.1 179.4 -70.0 125.6 74.6 84.3 37.8 118 123 A D > - 0 0 52 3,-0.4 3,-2.0 -2,-0.3 5,-0.1 -0.976 19.1-155.8-127.7 114.2 71.0 85.2 38.5 119 124 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.810 94.9 58.2 -60.6 -32.2 68.4 82.8 37.0 120 125 A N T 3 S+ 0 0 133 1,-0.3 -3,-0.0 -3,-0.1 0, 0.0 0.494 117.5 32.0 -78.6 -1.6 65.8 85.6 37.1 121 126 A K S < S+ 0 0 74 -3,-2.0 -3,-0.4 1,-0.0 -1,-0.3 -0.483 72.3 166.6-149.9 72.5 68.0 87.8 34.9 122 127 A P + 0 0 71 0, 0.0 2,-0.6 0, 0.0 5,-0.1 0.452 33.4 116.6 -78.6 -3.3 70.0 85.4 32.6 123 128 A V > - 0 0 65 1,-0.1 3,-2.9 3,-0.1 4,-0.3 -0.542 64.9-136.0 -75.5 114.1 71.3 87.9 30.0 124 129 A V G > S+ 0 0 5 -2,-0.6 3,-2.6 1,-0.3 4,-0.3 0.777 99.3 52.1 -38.3 -52.9 75.2 87.9 30.3 125 130 A S G 3 S+ 0 0 9 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.682 101.7 61.8 -69.4 -15.1 75.8 91.6 30.2 126 131 A Q G < S+ 0 0 44 -3,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.422 102.2 57.1 -77.9 -0.4 73.2 92.2 33.0 127 132 A Q < + 0 0 1 -3,-2.6 -11,-1.8 -4,-0.3 -2,-0.2 0.485 68.4 124.1-117.0 -2.5 75.5 90.1 35.2 128 133 A I B -F 115 0A 6 -3,-0.4 41,-2.3 -4,-0.3 2,-0.4 -0.425 49.8-147.7 -62.6 130.7 78.9 91.8 35.1 129 134 A I B > -G 168 0B 0 -15,-3.3 3,-2.1 39,-0.2 -15,-0.4 -0.835 30.1 -66.2-106.2 135.7 80.0 92.6 38.6 130 135 A E T 3 S+ 0 0 68 37,-3.3 37,-0.3 -2,-0.4 -1,-0.1 -0.305 113.7 23.7 -52.8 140.6 82.1 95.6 39.7 131 136 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 37,-0.1 -0.660 90.8 162.8-102.5 47.0 84.9 96.3 39.1 132 137 A S < + 0 0 0 -3,-2.1 -19,-0.1 -18,-0.2 2,-0.1 -0.391 53.0 52.3 -62.7 143.1 85.0 94.3 35.9 133 138 A P S S- 0 0 2 0, 0.0 2,-0.7 0, 0.0 -20,-0.2 0.453 75.2-166.3 -83.1 137.3 86.8 94.4 33.6 134 139 A I E -E 112 0A 25 -22,-3.1 -22,-2.4 -2,-0.1 2,-0.8 -0.825 10.0-148.5 -89.6 118.3 89.9 94.0 35.8 135 140 A V E +E 111 0A 66 -2,-0.7 -24,-0.2 -24,-0.2 3,-0.1 -0.791 23.7 170.9 -87.0 109.3 93.0 94.9 33.8 136 141 A V - 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0 0 18 -3,-2.0 -1,-0.3 -31,-0.2 -29,-0.1 -0.363 42.3-165.4 -81.4 168.0 91.3 74.0 -9.1 514 519 A S - 0 0 72 -30,-0.1 -28,-0.1 -3,-0.1 -1,-0.1 -0.404 17.2-171.5-149.0 60.9 91.5 70.2 -9.4 515 520 A V - 0 0 45 -30,-0.3 45,-0.2 1,-0.1 3,-0.1 -0.227 23.8-134.2 -61.7 144.3 94.2 69.1 -7.0 516 521 A E S S+ 0 0 142 1,-0.2 44,-2.7 43,-0.1 2,-0.4 0.908 89.3 32.2 -68.9 -42.4 95.3 65.5 -7.2 517 522 A E E S- P 0 559D 81 42,-0.2 2,-0.4 43,-0.1 42,-0.2 -0.968 74.1-147.4-122.7 131.9 95.4 64.8 -3.4 518 523 A I E - P 0 558D 0 40,-3.2 40,-2.7 -2,-0.4 2,-0.3 -0.807 19.6-123.5 -99.7 132.9 93.1 66.5 -0.9 519 524 A E E -oP 487 557D 14 -33,-2.5 -31,-2.2 -2,-0.4 2,-0.5 -0.559 19.4-165.3 -70.5 135.9 94.4 67.3 2.6 520 525 A V E -oP 488 556D 0 36,-2.8 36,-2.7 -2,-0.3 2,-0.6 -0.976 7.2-169.0-121.4 113.6 92.4 65.9 5.6 521 526 A L E -oP 489 555D 0 -33,-3.3 -31,-3.5 -2,-0.5 2,-0.5 -0.918 2.8-171.8-108.1 119.3 93.4 67.6 8.8 522 527 A D E -oP 490 554D 6 32,-2.9 32,-3.0 -2,-0.6 2,-0.6 -0.948 9.9-157.9-116.6 121.5 92.1 65.9 12.0 523 528 A S E + P 0 553D 2 -33,-2.7 30,-0.2 -2,-0.5 4,-0.1 -0.885 12.1 179.7 -95.2 119.8 92.5 67.5 15.4 524 529 A F + 0 0 91 28,-2.0 29,-0.2 -2,-0.6 -1,-0.1 0.671 70.0 70.9 -84.1 -18.3 92.3 65.0 18.3 525 530 A T S S- 0 0 31 27,-1.4 5,-0.1 26,-0.1 2,-0.0 -0.695 95.6-101.4-103.6 142.9 92.8 67.9 20.7 526 531 A P > - 0 0 35 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.372 41.2-113.7 -58.3 147.6 90.4 70.8 21.6 527 532 A L G > S+ 0 0 10 -35,-0.5 3,-0.9 1,-0.3 -34,-0.1 0.705 112.0 64.9 -68.5 -20.7 91.5 73.9 19.7 528 533 A E G 3 S+ 0 0 29 1,-0.2 -512,-2.7 -513,-0.1 -1,-0.3 0.688 100.7 53.9 -70.0 -20.3 92.6 75.9 22.8 529 534 A Q G < S+ 0 0 60 -3,-2.0 2,-0.5 -514,-0.3 -1,-0.2 0.494 83.4 107.7 -92.8 -6.3 95.3 73.3 23.3 530 535 A V < - 0 0 5 -3,-0.9 2,-0.8 -4,-0.3 -514,-0.1 -0.613 69.6-136.1 -75.6 118.6 96.7 73.6 19.8 531 536 A D > - 0 0 43 -2,-0.5 4,-1.8 20,-0.2 -517,-0.2 -0.682 13.5-155.7 -71.5 110.6 100.1 75.5 19.8 532 537 A L H > S+ 0 0 19 -519,-1.7 4,-1.8 -2,-0.8 -1,-0.2 0.749 90.8 54.8 -64.3 -27.7 99.6 77.9 16.8 533 538 A H H > S+ 0 0 106 -520,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.919 107.8 49.2 -68.4 -48.1 103.3 78.2 16.1 534 539 A N H > S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.868 112.4 48.9 -57.5 -39.2 103.7 74.3 15.8 535 540 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.904 107.4 53.8 -71.8 -40.7 100.7 74.2 13.4 536 541 A K H X S+ 0 0 104 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.930 114.7 41.6 -56.4 -48.5 102.1 77.0 11.2 537 542 A R H X S+ 0 0 97 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.756 110.4 56.7 -72.5 -28.7 105.4 75.1 10.8 538 543 A A H >X S+ 0 0 6 -4,-1.6 4,-0.9 -5,-0.2 3,-0.6 0.932 108.6 46.2 -72.0 -43.6 103.8 71.7 10.4 539 544 A L H 3< S+ 0 0 4 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.908 115.2 46.0 -62.6 -44.3 101.7 72.7 7.4 540 545 A S H 3< S+ 0 0 87 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.495 112.3 49.8 -85.1 -2.2 104.5 74.5 5.6 541 546 A N H << S+ 0 0 87 -4,-0.7 2,-2.2 -3,-0.6 -1,-0.2 0.537 79.2 106.0-101.8 -14.4 107.1 71.8 6.2 542 547 A S < + 0 0 15 -4,-0.9 5,-0.2 -3,-0.4 -1,-0.1 -0.450 54.7 176.8 -69.6 81.4 104.8 69.0 4.9 543 548 A S - 0 0 63 -2,-2.2 -2,-0.1 3,-0.5 5,-0.1 0.426 45.5 -74.5 -65.5-150.9 106.6 68.6 1.5 544 549 A N S S+ 0 0 161 3,-0.1 3,-0.1 1,-0.0 -2,-0.0 0.925 124.2 20.3 -82.1 -51.0 105.7 66.0 -1.2 545 550 A E S S+ 0 0 140 1,-0.2 2,-0.6 2,-0.0 -3,-0.0 0.937 118.0 61.0 -80.7 -58.0 107.0 62.7 0.3 546 551 A Q - 0 0 72 -5,-0.1 2,-0.7 1,-0.0 -3,-0.5 -0.650 62.3-166.9 -91.4 115.3 107.3 63.6 4.0 547 552 A I - 0 0 67 -2,-0.6 2,-0.6 -5,-0.2 -5,-0.1 -0.902 10.9-153.5 -98.7 113.1 104.1 64.5 5.8 548 553 A I - 0 0 69 -2,-0.7 -6,-0.1 -10,-0.4 -7,-0.1 -0.818 10.5-141.4 -91.3 122.5 104.9 66.1 9.2 549 554 A Q - 0 0 85 -2,-0.6 2,-0.2 5,-0.1 5,-0.1 -0.659 11.1-130.8 -83.2 132.9 102.1 65.7 11.7 550 555 A P > - 0 0 3 0, 0.0 3,-1.9 0, 0.0 -15,-0.1 -0.628 41.0 -88.3 -75.5 148.0 101.4 68.6 14.1 551 556 A X T 3 S+ 0 0 134 1,-0.3 -20,-0.2 -2,-0.2 3,-0.1 -0.328 114.1 12.7 -64.2 133.7 101.1 67.6 17.8 552 557 A G T 3 S+ 0 0 32 1,-0.2 -28,-2.0 -22,-0.1 -27,-1.4 0.610 122.3 80.0 72.5 14.7 97.6 66.5 18.9 553 558 A X E < -P 523 0D 10 -3,-1.9 2,-0.5 -30,-0.2 -30,-0.2 -0.993 63.8-145.6-147.4 154.1 96.7 66.3 15.2 554 559 A E E -P 522 0D 44 -32,-3.0 -32,-2.9 -2,-0.3 2,-0.5 -0.987 8.4-161.3-123.8 125.8 97.0 64.1 12.1 555 560 A L E +P 521 0D 2 -2,-0.5 2,-0.3 -34,-0.2 -34,-0.2 -0.915 20.6 169.1 -99.3 127.3 97.4 65.3 8.5 556 561 A R E -P 520 0D 43 -36,-2.7 -36,-2.8 -2,-0.5 2,-0.4 -0.818 25.3-131.4-129.0 170.1 96.5 62.8 5.8 557 562 A K E -P 519 0D 80 -2,-0.3 2,-0.3 -38,-0.2 -38,-0.2 -0.988 15.0-168.8-128.2 134.8 96.0 62.9 2.0 558 563 A E E -P 518 0D 31 -40,-2.7 -40,-3.2 -2,-0.4 2,-0.4 -0.916 28.0-114.1-119.9 148.8 93.2 61.4 -0.0 559 564 A K E >> -P 517 0D 112 -2,-0.3 4,-1.2 -42,-0.2 3,-1.1 -0.682 17.9-134.4 -85.5 132.3 93.0 61.1 -3.8 560 565 A R H 3> S+ 0 0 19 -44,-2.7 4,-3.2 -2,-0.4 3,-0.4 0.861 105.1 63.0 -54.0 -37.2 90.4 63.2 -5.5 561 566 A E H 3> S+ 0 0 131 -45,-0.3 4,-2.5 1,-0.3 -1,-0.3 0.871 100.9 52.4 -52.2 -43.6 89.4 60.2 -7.6 562 567 A E H <> S+ 0 0 91 -3,-1.1 4,-0.7 2,-0.2 -1,-0.3 0.844 112.6 42.9 -65.3 -36.5 88.4 58.4 -4.4 563 568 A L H < S+ 0 0 0 -4,-1.2 3,-0.2 -3,-0.4 -2,-0.2 0.896 113.2 53.6 -75.1 -39.0 86.1 61.2 -3.2 564 569 A E H >< S+ 0 0 83 -4,-3.2 3,-0.9 1,-0.2 -2,-0.2 0.913 112.1 43.0 -60.5 -45.7 84.7 61.7 -6.7 565 570 A N H 3< S+ 0 0 116 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.673 113.6 53.4 -74.4 -18.3 83.7 58.0 -7.0 566 571 A R T 3X S+ 0 0 97 -4,-0.7 4,-2.2 -3,-0.2 -1,-0.2 0.009 73.7 113.8-106.8 29.9 82.3 57.9 -3.5 567 572 A V T <4 S+ 0 0 10 -3,-0.9 -91,-0.2 2,-0.2 -1,-0.2 0.834 78.2 41.5 -73.0 -36.5 80.0 60.9 -3.8 568 573 A T T 4 S+ 0 0 84 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.936 119.7 43.5 -76.6 -43.0 76.7 59.1 -3.4 569 574 A V T 4 S- 0 0 60 -4,-0.2 -2,-0.2 1,-0.2 2,-0.2 0.847 112.6-121.1 -72.0 -36.7 77.8 56.9 -0.6 570 575 A G < - 0 0 3 -4,-2.2 3,-0.3 -7,-0.2 -104,-0.2 -0.503 14.8 -85.7 119.8 174.9 79.6 59.6 1.4 571 576 A W S > S+ 0 0 0 -106,-3.5 3,-1.9 1,-0.2 4,-0.3 -0.019 74.2 123.7-112.7 31.5 83.1 60.4 2.7 572 577 A R G > + 0 0 21 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.827 65.2 72.1 -58.1 -33.4 83.0 58.6 6.0 573 578 A H G 3 S+ 0 0 61 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.694 90.1 60.7 -53.8 -21.8 86.1 56.7 5.0 574 579 A I G < S+ 0 0 1 -3,-1.9 -1,-0.3 2,-0.0 2,-0.2 0.649 85.8 91.5 -84.8 -15.2 88.2 59.9 5.4 575 580 A T < - 0 0 18 -3,-1.7 3,-0.3 -4,-0.3 4,-0.2 -0.504 63.8-150.1 -83.4 148.4 87.4 60.3 9.2 576 581 A S S >> S+ 0 0 4 -2,-0.2 4,-2.4 1,-0.2 3,-0.8 0.469 71.5 102.0 -93.8 -1.9 89.7 58.8 11.9 577 582 A N H 3> S+ 0 0 12 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.829 82.5 47.2 -54.4 -38.8 86.9 58.3 14.4 578 583 A G H 3> S+ 0 0 5 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.812 111.8 50.6 -71.3 -31.9 86.6 54.6 13.8 579 584 A R H <> S+ 0 0 82 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.927 109.3 48.2 -74.9 -46.8 90.4 54.0 13.9 580 585 A V H X S+ 0 0 38 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.904 110.8 53.2 -60.2 -39.4 90.9 55.8 17.3 581 586 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.917 107.7 50.2 -61.7 -44.1 88.0 53.8 18.7 582 587 A E H X S+ 0 0 64 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.906 113.6 47.0 -58.1 -41.8 89.6 50.6 17.6 583 588 A E H X S+ 0 0 92 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.948 110.4 51.4 -63.1 -49.1 92.8 51.8 19.3 584 589 A W H X S+ 0 0 19 -4,-3.3 4,-0.5 1,-0.3 5,-0.2 0.893 109.5 50.3 -58.3 -42.5 90.9 52.8 22.5 585 590 A I H >X>S+ 0 0 10 -4,-2.6 4,-2.1 1,-0.2 5,-1.5 0.881 112.3 48.0 -62.2 -38.5 89.3 49.4 22.7 586 591 A T H 3<5S+ 0 0 65 -4,-1.6 5,-0.3 1,-0.2 -2,-0.2 0.879 113.9 45.0 -73.6 -36.2 92.6 47.6 22.3 587 592 A N H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.406 129.2 23.1 -86.4 1.9 94.5 49.8 24.9 588 593 A N H <<5S+ 0 0 19 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.2 0.559 128.8 25.3-141.0 -20.4 91.7 49.6 27.5 589 594 A L T ><5S+ 0 0 0 -4,-2.1 3,-0.5 -5,-0.2 4,-0.3 0.664 98.4 74.0-124.5 -32.0 89.4 46.6 27.1 590 595 A E G > > -S 798 0G 109 -2,-0.3 3,-2.7 203,-0.2 4,-1.4 -0.682 30.7-123.0 -83.0 132.1 86.3 37.4 22.0 596 601 A L T 34 S+ 0 0 3 201,-3.2 5,-0.3 -2,-0.4 200,-0.2 0.788 112.6 56.8 -40.0 -39.7 82.7 36.0 22.0 597 602 A V T 34 S+ 0 0 78 198,-2.6 -1,-0.3 1,-0.2 199,-0.1 0.761 105.9 49.4 -68.1 -27.9 83.8 33.3 19.5 598 603 A A T <4 S+ 0 0 75 -3,-2.7 -1,-0.2 197,-0.3 -2,-0.2 0.804 98.3 88.2 -79.0 -30.3 86.6 32.1 21.9 599 604 A S S < S- 0 0 15 -4,-1.4 -4,-0.0 1,-0.1 -3,-0.0 0.052 93.9-104.8 -62.8 174.4 84.1 31.9 24.9 600 605 A D S S+ 0 0 153 2,-0.1 -1,-0.1 154,-0.0 2,-0.1 0.538 84.2 109.9 -78.1 -7.2 81.9 28.9 25.8 601 606 A Y - 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0 0 4 -4,-0.8 -1,-0.2 -3,-0.4 -10,-0.1 -0.996 52.0-142.8-157.4 142.9 55.4 43.1 24.0 659 664 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.692 71.1 110.9 -80.8 -15.8 51.8 42.4 22.9 660 665 A V - 0 0 15 -19,-0.2 -19,-1.8 -13,-0.2 2,-0.3 -0.317 50.2-168.8 -66.8 135.9 53.0 40.2 20.0 661 666 A R E -Y 640 0J 25 -21,-0.2 -41,-0.7 -2,-0.1 2,-0.4 -0.947 19.9-143.3-132.1 146.5 52.4 36.5 20.3 662 667 A F E -Y 639 0J 0 -23,-3.1 -23,-2.3 -2,-0.3 2,-0.9 -0.895 27.2-122.8-104.5 139.4 53.3 33.2 18.7 663 668 A L E +Y 638 0J 0 -46,-2.4 -25,-0.2 -2,-0.4 52,-0.0 -0.718 37.5 166.1 -87.6 103.8 50.8 30.4 18.4 664 669 A C - 0 0 10 -27,-2.8 48,-0.1 -2,-0.9 -2,-0.0 -0.810 17.0-163.0-121.8 87.9 52.0 27.2 20.1 665 670 A P - 0 0 5 0, 0.0 -28,-0.1 0, 0.0 12,-0.0 -0.407 29.5-105.4 -63.6 147.8 49.3 24.6 20.6 666 671 A P > - 0 0 46 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.187 33.3-100.0 -67.5 165.7 50.1 21.8 23.1 667 672 A N G > S+ 0 0 103 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.845 121.0 61.9 -56.3 -38.6 51.0 18.3 22.0 668 673 A S G 3 S+ 0 0 27 1,-0.3 9,-0.6 2,-0.2 3,-0.3 0.611 89.6 70.6 -65.6 -13.2 47.5 17.0 22.7 669 674 A A G < S+ 0 0 0 -3,-1.6 -1,-0.3 7,-0.2 -2,-0.2 0.530 98.1 51.3 -77.3 -7.3 46.1 19.4 20.1 670 675 A Y S < S+ 0 0 45 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.538 96.4 77.7-108.4 -13.0 47.8 17.2 17.5 671 676 A Q S S- 0 0 88 -4,-0.4 3,-0.3 -3,-0.3 2,-0.3 -0.703 85.4-109.9 -97.0 154.3 46.3 13.9 18.6 672 677 A D S S+ 0 0 143 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.643 89.2 31.7 -98.7 140.3 42.7 13.0 17.8 673 678 A G S S+ 0 0 80 1,-0.4 -1,-0.2 -2,-0.3 5,-0.0 -0.204 88.5 110.7 115.0 -37.7 39.7 12.7 20.2 674 679 A T S > S- 0 0 37 -3,-0.3 4,-0.7 -6,-0.2 -1,-0.4 -0.065 75.2-121.8 -66.2 166.0 40.8 15.4 22.6 675 680 A G H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.663 109.4 64.8 -80.1 -20.5 39.2 18.8 23.2 676 681 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -7,-0.2 0.928 97.7 51.4 -69.4 -46.4 42.5 20.5 22.3 677 682 A S H > S+ 0 0 6 -9,-0.6 4,-2.3 -6,-0.3 -1,-0.2 0.850 109.6 54.4 -58.0 -33.6 42.5 19.3 18.8 678 683 A I H X S+ 0 0 107 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.962 104.9 50.4 -61.2 -56.5 38.9 20.7 18.6 679 684 A I H X S+ 0 0 60 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.872 113.8 47.2 -49.8 -42.6 40.0 24.2 19.7 680 685 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.892 106.8 55.3 -70.4 -42.9 42.7 24.1 17.1 681 686 A D H X S+ 0 0 50 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 108.3 50.0 -54.7 -46.5 40.4 22.9 14.2 682 687 A K H X S+ 0 0 106 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.937 111.1 49.6 -55.2 -51.4 38.1 25.9 14.9 683 688 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.924 111.4 47.1 -55.0 -51.9 41.1 28.3 14.8 684 689 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.858 108.4 56.8 -64.5 -35.2 42.5 26.9 11.5 685 690 A D H X S+ 0 0 69 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.953 109.0 44.5 -56.2 -54.5 39.0 27.1 10.0 686 691 A V H X S+ 0 0 28 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.851 112.1 54.7 -61.5 -35.5 38.6 30.8 10.7 687 692 A Y H X S+ 0 0 9 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.920 108.3 48.0 -63.4 -45.0 42.2 31.3 9.4 688 693 A V H X S+ 0 0 29 -4,-2.6 4,-2.1 1,-0.2 3,-0.4 0.940 109.3 53.0 -59.7 -48.8 41.4 29.6 6.1 689 694 A D H X S+ 0 0 106 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.856 108.4 50.6 -56.0 -39.2 38.2 31.7 5.6 690 695 A F H X S+ 0 0 19 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.801 106.3 54.2 -69.9 -32.1 40.2 34.9 6.1 691 696 A Q H X S+ 0 0 36 -4,-1.4 4,-1.9 -3,-0.4 8,-0.2 0.908 110.1 48.1 -67.1 -42.1 42.8 33.8 3.5 692 697 A V H >< S+ 0 0 41 -4,-2.1 3,-1.0 2,-0.2 6,-0.4 0.988 109.1 53.0 -52.8 -61.9 39.8 33.4 1.1 693 698 A Y H 3< S+ 0 0 160 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.779 113.6 43.9 -44.9 -36.1 38.4 36.8 2.1 694 699 A K H 3< S+ 0 0 108 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.788 96.3 92.5 -83.0 -30.6 41.8 38.3 1.3 695 700 A S S X< S- 0 0 31 -4,-1.9 3,-0.8 -3,-1.0 5,-0.1 -0.450 71.5-142.8 -68.8 132.3 42.3 36.3 -1.9 696 701 A K T 3 S+ 0 0 209 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.1 0.765 105.0 40.4 -65.2 -27.0 41.0 38.1 -5.1 697 702 A Q T 3 S- 0 0 153 2,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.356 113.6-116.3-103.1 2.7 39.7 34.8 -6.5 698 703 A K S < S+ 0 0 121 -3,-0.8 2,-0.4 -6,-0.4 -6,-0.2 0.928 70.4 135.5 60.0 49.7 38.4 33.5 -3.1 699 704 A K + 0 0 138 -7,-0.3 2,-0.3 -8,-0.2 -1,-0.2 -0.989 29.5 165.2-134.1 134.5 40.8 30.6 -3.1 700 705 A F + 0 0 47 -2,-0.4 -8,-0.1 1,-0.1 -9,-0.0 -0.873 6.1 179.7-147.5 120.1 43.1 28.9 -0.5 701 706 A E + 0 0 150 -2,-0.3 -1,-0.1 2,-0.1 -13,-0.0 0.865 46.7 102.1 -89.9 -43.5 44.5 25.5 -1.3 702 707 A K - 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0 0 53 -2,-0.3 4,-2.4 1,-0.0 3,-0.9 -0.868 49.5 -87.1-141.5 174.7 75.3 56.3 34.1 832 837 A K H 3> S+ 0 0 141 1,-0.3 4,-3.4 -2,-0.3 5,-0.2 0.848 122.4 57.5 -53.1 -38.8 75.7 53.9 37.2 833 838 A L H 3> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.867 110.3 42.4 -59.9 -42.2 75.7 50.9 34.9 834 839 A D H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.905 115.3 48.9 -71.5 -45.7 78.7 52.1 32.9 835 840 A L H X S+ 0 0 31 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.900 109.8 54.2 -60.3 -41.8 80.5 53.4 36.1 836 841 A L H >< S+ 0 0 27 -4,-3.4 3,-1.2 -5,-0.3 4,-0.3 0.962 111.3 43.5 -54.8 -53.1 79.8 50.0 37.6 837 842 A W H >X S+ 0 0 3 -4,-2.0 3,-1.7 1,-0.3 4,-0.5 0.798 103.5 67.2 -64.9 -30.0 81.4 48.2 34.6 838 843 A A H >X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 3,-0.9 0.774 86.6 69.3 -60.9 -28.9 84.3 50.7 34.7 839 844 A K H << S+ 0 0 113 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.705 94.4 57.9 -60.7 -20.2 85.4 49.2 38.0 840 845 A V H <4 S+ 0 0 15 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.796 116.5 29.6 -83.3 -26.7 86.4 46.1 36.2 841 846 A F H << S+ 0 0 14 -3,-0.9 2,-0.4 -4,-0.5 -2,-0.2 0.725 117.7 39.6-106.3 -28.9 88.9 47.8 33.8 842 847 A W < + 0 0 35 -4,-2.3 -1,-0.2 1,-0.1 3,-0.2 -0.979 27.8 178.6-139.3 141.5 90.3 50.8 35.6 843 848 A S S S+ 0 0 135 -2,-0.4 2,-0.3 1,-0.3 3,-0.3 0.553 85.6 67.1 -98.9 -22.9 91.5 52.1 39.0 844 849 A G S S- 0 0 52 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 -0.881 115.1 -9.4-151.4 119.1 92.2 55.5 37.2 845 850 A N > + 0 0 79 -2,-0.3 4,-2.4 -3,-0.2 5,-0.4 0.327 56.2 172.8-124.1 127.3 90.1 57.0 36.3 846 851 A E H > S+ 0 0 67 -3,-0.3 4,-2.0 1,-0.2 3,-0.3 0.887 90.7 39.3 -41.5 -62.6 86.5 55.4 36.4 847 852 A X H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 116.0 48.3 -58.0 -53.9 84.7 58.6 35.4 848 853 A S H > S+ 0 0 45 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.770 113.7 45.5 -67.5 -30.8 87.1 60.0 32.8 849 854 A K H X S+ 0 0 53 -4,-2.4 4,-2.0 -3,-0.3 -1,-0.2 0.831 114.9 48.2 -78.5 -33.6 87.5 56.7 30.9 850 855 A T H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.4 -2,-0.2 0.843 109.7 53.6 -68.8 -35.3 83.8 56.1 30.9 851 856 A K H X S+ 0 0 27 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.793 108.0 51.7 -69.3 -28.3 83.3 59.7 29.8 852 857 A E H X S+ 0 0 81 -4,-0.8 4,-2.8 2,-0.2 5,-0.2 0.947 107.1 50.0 -73.0 -54.9 85.7 59.0 26.8 853 858 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.903 110.7 52.4 -45.6 -48.2 83.9 55.9 25.6 854 859 A A H X S+ 0 0 8 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.881 111.3 45.5 -58.7 -43.3 80.7 57.9 25.7 855 860 A E H X S+ 0 0 51 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.884 113.4 48.7 -69.8 -42.1 82.1 60.7 23.6 856 861 A L H X S+ 0 0 30 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.904 112.5 49.7 -63.0 -42.6 83.7 58.4 21.0 857 862 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.972 109.4 50.8 -59.6 -55.5 80.4 56.5 20.8 858 863 A E H X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.882 111.5 48.4 -48.7 -44.9 78.5 59.7 20.2 859 864 A D H X S+ 0 0 4 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.876 112.2 47.6 -67.2 -41.0 80.9 60.8 17.4 860 865 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -3,-0.2 -1,-0.2 0.879 112.4 49.7 -65.3 -39.8 80.7 57.5 15.6 861 866 A V H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 -2,-0.2 0.905 105.5 56.7 -68.6 -39.8 76.9 57.4 15.8 862 867 A F H < S+ 0 0 13 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.819 107.7 50.3 -58.8 -31.6 76.7 61.0 14.5 863 868 A E H < S+ 0 0 1 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.940 117.8 36.5 -70.8 -46.6 78.7 59.7 11.5 864 869 A R H < S+ 0 0 0 -4,-1.9 -79,-2.3 1,-0.2 -2,-0.2 0.926 136.3 14.0 -72.2 -46.1 76.4 56.7 10.8 865 870 A Y >< + 0 0 40 -4,-3.4 3,-1.0 -5,-0.2 -1,-0.2 -0.691 61.5 168.6-139.7 78.7 73.1 58.3 11.7 866 871 A P G > + 0 0 2 0, 0.0 3,-3.5 0, 0.0 4,-0.5 0.927 66.5 76.7 -51.6 -51.7 72.9 62.1 12.1 867 872 A E G 3 S+ 0 0 112 1,-0.3 3,-0.2 2,-0.2 -5,-0.1 0.600 81.6 69.8 -46.9 -18.4 69.1 62.6 12.2 868 873 A G G < S+ 0 0 0 -3,-1.0 -1,-0.3 1,-0.2 -42,-0.1 0.673 99.7 48.8 -74.1 -15.2 69.0 61.4 15.9 869 874 A S < 0 0 38 -3,-3.5 -1,-0.2 -4,-0.2 -2,-0.2 0.678 360.0 360.0 -97.6 -19.7 70.7 64.5 17.0 870 875 A Q 0 0 119 -4,-0.5 -2,-0.1 -3,-0.2 -3,-0.1 0.872 360.0 360.0 -72.2 360.0 68.6 67.1 15.1 871 ! 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 0.0 872 900 A X 0 0 43 0, 0.0 -471,-0.2 0, 0.0 -546,-0.1 0.000 360.0 360.0 360.0 360.0 79.1 85.2 13.6