==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-13 4BRK . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR M.ZEBISCH,P.SCHAEFER,P.LAUBLE,N.STRAETER . 719 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 12.9 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 47 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.5 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 4 1 3 0 0 0 4 4 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 2 1 1 2 0 2 2 2 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 0 0 2 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 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 36 A T 0 0 178 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.3 27.0 1.7 -19.2 2 37 A N > + 0 0 98 1,-0.1 3,-1.8 2,-0.0 4,-0.4 -0.813 360.0 176.8-114.9 85.5 26.3 -1.9 -18.5 3 38 A P G > S+ 0 0 54 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.808 77.4 58.3 -68.5 -16.9 27.1 -2.2 -14.7 4 39 A a G 3 S+ 0 0 30 1,-0.2 5,-0.1 2,-0.2 23,-0.0 0.478 87.3 74.7 -90.6 0.9 26.1 -5.8 -14.6 5 40 A E G < S+ 0 0 153 -3,-1.8 -1,-0.2 1,-0.2 3,-0.1 0.755 111.3 26.4 -79.3 -22.6 28.6 -6.9 -17.2 6 41 A K S < S+ 0 0 182 -3,-0.7 2,-0.3 -4,-0.4 -2,-0.2 0.305 124.4 45.2-121.4 8.1 31.4 -6.6 -14.7 7 42 A H S S- 0 0 72 -4,-0.4 21,-0.2 21,-0.1 2,-0.1 -0.980 85.9 -99.5-142.9 156.2 29.6 -7.1 -11.4 8 43 A S E -A 27 0A 59 19,-2.0 19,-2.3 -2,-0.3 2,-0.3 -0.455 42.7-158.9 -67.4 147.4 27.0 -9.5 -9.9 9 44 A a E +A 26 0A 15 17,-0.2 2,-0.3 -5,-0.1 17,-0.2 -0.992 16.5 173.2-136.1 147.6 23.5 -8.0 -9.9 10 45 A I E -A 25 0A 0 15,-1.9 15,-2.8 -2,-0.3 2,-0.4 -0.989 22.7-138.8-147.1 148.3 20.3 -8.7 -7.9 11 46 A A E -Ab 24 78A 0 66,-2.9 68,-1.9 -2,-0.3 2,-0.4 -0.922 18.7-174.3-108.3 134.6 16.9 -7.0 -7.6 12 47 A V E -Ab 23 79A 0 11,-2.5 11,-2.1 -2,-0.4 2,-0.6 -0.998 8.7-156.7-129.4 122.3 15.3 -6.8 -4.1 13 48 A I E -Ab 22 80A 0 66,-2.9 68,-2.1 -2,-0.4 2,-1.0 -0.925 7.6-153.7-102.6 121.8 11.7 -5.4 -3.8 14 49 A D E -Ab 21 81A 7 7,-2.4 7,-2.2 -2,-0.6 2,-1.4 -0.849 11.5-169.1 -86.3 100.1 10.6 -4.0 -0.5 15 50 A A E +Ab 20 82A 4 66,-2.6 68,-2.1 -2,-1.0 71,-0.3 -0.698 24.3 176.4 -92.5 83.3 6.8 -4.6 -0.8 16 51 A G - 0 0 3 3,-1.6 34,-0.5 -2,-1.4 3,-0.4 -0.264 45.2 -97.2 -91.6 172.9 6.0 -2.4 2.3 17 52 A S S S+ 0 0 31 1,-0.2 32,-0.6 32,-0.1 3,-0.1 0.804 121.0 33.4 -63.8 -29.9 2.6 -1.4 3.7 18 53 A T S S- 0 0 68 1,-0.3 2,-0.3 30,-0.2 -1,-0.2 0.503 131.0 -26.8-104.8 -5.3 2.4 2.0 1.9 19 54 A G - 0 0 0 -3,-0.4 -3,-1.6 28,-0.2 2,-0.4 -0.963 61.7 -98.4 173.1 171.5 4.2 1.2 -1.3 20 55 A S E -AC 15 46A 0 26,-1.9 26,-2.7 28,-0.3 2,-0.5 -0.935 24.3-160.2-118.0 143.9 6.7 -1.1 -3.1 21 56 A R E -AC 14 45A 45 -7,-2.2 -7,-2.4 -2,-0.4 2,-0.5 -0.968 4.9-154.8-127.4 117.5 10.3 -0.2 -3.9 22 57 A L E -AC 13 44A 0 22,-3.1 22,-2.1 -2,-0.5 2,-0.4 -0.782 15.8-176.0 -85.4 126.8 12.3 -2.0 -6.5 23 58 A H E -AC 12 43A 0 -11,-2.1 -11,-2.5 -2,-0.5 2,-0.5 -0.986 10.9-165.1-119.4 135.6 16.1 -1.8 -5.9 24 59 A I E -AC 11 42A 0 18,-2.5 17,-3.0 -2,-0.4 18,-1.3 -0.987 14.7-169.3-114.1 128.3 18.7 -3.2 -8.3 25 60 A Y E -AC 10 40A 6 -15,-2.8 -15,-1.9 -2,-0.5 2,-0.3 -0.947 13.9-155.0-116.4 140.3 22.1 -3.6 -6.8 26 61 A S E +AC 9 39A 1 13,-2.6 13,-2.7 -2,-0.4 2,-0.3 -0.778 28.6 162.4-101.0 155.5 25.5 -4.3 -8.4 27 62 A Y E -A 8 0A 18 -19,-2.3 -19,-2.0 -2,-0.3 2,-0.2 -0.987 31.7-142.1-163.5 159.7 28.2 -6.0 -6.2 28 63 A D E - C 0 36A 45 8,-2.6 8,-2.3 -2,-0.3 2,-0.4 -0.578 26.8-130.0-108.9 179.6 31.4 -7.9 -6.0 29 64 A T E - C 0 35A 51 6,-0.3 2,-0.0 -2,-0.2 -2,-0.0 -0.979 8.1-133.9-135.7 155.1 32.3 -10.6 -3.5 30 65 A D > - 0 0 43 4,-2.2 3,-2.8 -2,-0.4 6,-0.1 -0.097 53.7 -65.9 -88.1-172.3 35.1 -11.3 -1.2 31 66 A D T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.581 136.6 46.5 -56.5 -13.4 37.0 -14.6 -0.6 32 67 A T T 3 S- 0 0 92 2,-0.2 -1,-0.3 3,-0.0 148,-0.0 0.261 119.4-106.7-112.8 9.5 33.9 -16.2 0.9 33 68 A N S < S+ 0 0 114 -3,-2.8 -2,-0.1 1,-0.3 3,-0.0 0.750 71.7 147.9 70.3 22.9 31.6 -15.0 -1.9 34 69 A T - 0 0 6 1,-0.1 -4,-2.2 323,-0.0 -1,-0.3 -0.787 55.2-101.3 -85.8 137.8 30.1 -12.4 0.5 35 70 A P E +C 29 0A 2 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.221 47.1 166.7 -63.7 139.8 28.9 -9.2 -1.2 36 71 A I E +C 28 0A 28 -8,-2.3 -8,-2.6 1,-0.1 0, 0.0 -0.885 58.3 36.3-135.9 166.1 31.1 -6.1 -1.0 37 72 A H E S- 0 0 113 -2,-0.3 2,-0.4 -10,-0.2 -1,-0.1 0.869 74.8-175.0 59.4 39.0 31.0 -2.9 -3.0 38 73 A I E + 0 0 8 -11,-0.1 2,-0.4 -3,-0.1 -11,-0.2 -0.529 3.9 179.4 -72.3 124.0 27.2 -3.0 -3.0 39 74 A E E -C 26 0A 119 -13,-2.7 -13,-2.6 -2,-0.4 2,-0.6 -0.989 29.8-128.2-128.9 136.1 25.9 -0.1 -5.2 40 75 A E E +C 25 0A 67 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.1 -0.742 29.4 172.9 -83.8 117.2 22.3 0.8 -6.0 41 76 A I E + 0 0 47 -17,-3.0 2,-0.3 -2,-0.6 -16,-0.2 0.557 66.4 19.4-103.5 -10.4 22.1 1.1 -9.8 42 77 A W E +C 24 0A 74 -18,-1.3 -18,-2.5 29,-0.1 2,-0.3 -0.963 57.2 178.1-159.6 139.0 18.2 1.5 -10.0 43 78 A N E +C 23 0A 39 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.980 3.6 173.6-138.5 131.6 15.4 2.5 -7.6 44 79 A K E -C 22 0A 50 -22,-2.1 -22,-3.1 -2,-0.3 2,-0.4 -0.976 10.1-165.5-139.0 134.2 11.7 2.8 -8.5 45 80 A K E +C 21 0A 94 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.940 9.6 177.0-118.4 132.3 9.0 3.5 -5.8 46 81 A I E -C 20 0A 13 -26,-2.7 -26,-1.9 -2,-0.4 -2,-0.0 -0.943 20.1-102.2-131.2 162.5 5.3 3.1 -6.4 47 82 A K S S+ 0 0 125 -2,-0.3 -28,-0.2 -28,-0.2 2,-0.2 -0.885 71.9 36.5-129.9 154.2 2.1 3.4 -4.3 48 83 A P S S- 0 0 40 0, 0.0 -28,-0.3 0, 0.0 -30,-0.2 0.587 87.3 -92.4 -87.6-164.2 -0.1 2.0 -2.7 49 84 A G >> - 0 0 2 -32,-0.6 3,-1.9 -30,-0.2 4,-0.5 -0.422 29.9-123.2 -68.7 142.8 1.1 -1.1 -0.8 50 85 A F G >4 S+ 0 0 2 -34,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.879 110.9 58.8 -52.4 -41.0 0.8 -4.4 -2.7 51 86 A A G 34 S+ 0 0 20 -35,-0.3 -1,-0.3 1,-0.2 -34,-0.1 0.412 101.0 58.4 -75.4 3.2 -1.3 -5.9 0.1 52 87 A S G <4 S+ 0 0 53 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.580 88.4 88.3-102.5 -16.8 -3.9 -3.0 -0.3 53 88 A I S << S- 0 0 2 -3,-1.2 360,-0.1 -4,-0.5 7,-0.0 -0.452 93.4 -87.7 -86.7 160.2 -4.8 -3.6 -4.0 54 89 A Q - 0 0 44 -2,-0.1 2,-1.9 1,-0.1 6,-0.1 -0.480 41.0-130.8 -65.8 123.8 -7.5 -5.9 -5.4 55 90 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.384 62.9 121.5 -82.0 62.1 -5.8 -9.4 -5.7 56 91 A N S > S- 0 0 60 -2,-1.9 4,-2.9 1,-0.1 5,-0.3 -0.827 74.2-109.4-118.0 162.1 -6.9 -10.2 -9.3 57 92 A S H > S+ 0 0 62 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.868 115.6 49.0 -62.2 -38.3 -4.8 -10.9 -12.4 58 93 A V H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 115.5 42.9 -66.3 -46.1 -5.5 -7.5 -14.2 59 94 A T H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.929 116.9 47.1 -66.6 -44.6 -4.8 -5.4 -11.1 60 95 A I H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.908 110.8 52.0 -67.1 -41.9 -1.7 -7.3 -10.1 61 96 A D H X S+ 0 0 77 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.929 111.3 47.2 -59.1 -44.4 -0.4 -7.2 -13.7 62 97 A A H X S+ 0 0 58 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.883 113.4 48.6 -62.6 -38.3 -0.8 -3.5 -13.9 63 98 A Y H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.959 115.1 42.6 -72.8 -46.0 0.9 -3.0 -10.5 64 99 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.4 0.894 113.3 53.0 -66.4 -37.1 3.9 -5.2 -11.3 65 100 A T H X S+ 0 0 56 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.933 110.0 48.0 -62.3 -43.5 4.2 -3.8 -14.8 66 101 A M H < S+ 0 0 82 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.890 116.4 44.3 -62.6 -39.7 4.3 -0.2 -13.3 67 102 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.887 130.1 18.1 -73.3 -35.9 6.9 -1.4 -10.7 68 103 A L H >< S+ 0 0 0 -4,-2.6 3,-1.9 -5,-0.1 -3,-0.2 0.670 95.0 86.6-110.3 -30.8 9.2 -3.3 -13.1 69 104 A A T 3< S+ 0 0 58 -4,-2.6 -3,-0.1 -5,-0.4 -2,-0.1 0.842 92.6 44.8 -60.0 -40.6 8.7 -2.6 -16.8 70 105 A D T 3 S+ 0 0 88 -5,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.320 79.9 131.7 -85.8 8.1 11.1 0.4 -17.2 71 106 A A < - 0 0 8 -3,-1.9 3,-0.1 1,-0.1 -3,-0.1 -0.336 61.2-132.0 -62.8 141.4 14.0 -1.1 -15.2 72 107 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.663 91.5 30.3 -72.8 -18.6 17.3 -0.8 -17.1 73 108 A I + 0 0 34 1,-0.1 3,-0.1 -71,-0.0 37,-0.0 -0.986 57.5 165.2-140.1 137.9 18.2 -4.5 -16.6 74 109 A H + 0 0 27 -2,-0.3 2,-1.8 1,-0.1 38,-0.3 0.625 54.3 86.2-123.1 -23.6 15.8 -7.4 -16.2 75 110 A N S S+ 0 0 102 36,-0.2 36,-0.2 2,-0.0 -1,-0.1 -0.390 74.7 97.1 -90.5 58.6 17.6 -10.8 -16.6 76 111 A I S S- 0 0 10 -2,-1.8 36,-2.5 -3,-0.1 -66,-0.2 -0.931 83.2 -78.6-141.1 160.7 18.7 -11.1 -12.9 77 112 A P E - d 0 112A 27 0, 0.0 -66,-2.9 0, 0.0 2,-0.4 -0.397 45.6-160.2 -64.1 144.2 17.5 -12.7 -9.7 78 113 A V E -bd 11 113A 0 34,-2.4 36,-3.1 -68,-0.2 37,-1.0 -0.991 12.4-163.5-130.5 133.3 14.6 -11.0 -8.0 79 114 A Y E -bd 12 115A 17 -68,-1.9 -66,-2.9 -2,-0.4 2,-0.7 -0.976 4.8-164.7-109.3 126.1 13.4 -11.2 -4.3 80 115 A F E +bd 13 116A 0 35,-2.8 37,-2.2 -2,-0.5 2,-0.6 -0.922 16.4 177.7-110.6 104.4 9.9 -10.0 -3.7 81 116 A Y E -bd 14 117A 15 -68,-2.1 -66,-2.6 -2,-0.7 2,-0.3 -0.920 10.8-162.1-117.3 113.8 9.7 -9.5 0.1 82 117 A A E -bd 15 118A 2 35,-2.4 37,-2.4 -2,-0.6 -66,-0.2 -0.696 8.0-167.3 -94.4 149.9 6.5 -8.1 1.7 83 118 A T >> - 0 0 7 -68,-2.1 4,-1.5 -2,-0.3 3,-0.9 0.186 52.8 -29.0-114.4-139.2 6.4 -6.8 5.2 84 119 A A H 3> S+ 0 0 1 1,-0.3 4,-1.0 2,-0.2 -68,-0.1 0.720 122.1 65.8 -65.9 -24.9 3.7 -5.7 7.7 85 120 A G H >4 S+ 0 0 10 1,-0.2 3,-0.5 -70,-0.2 -1,-0.3 0.944 109.9 39.8 -58.8 -41.4 1.0 -4.7 5.2 86 121 A M H X4 S+ 0 0 2 -3,-0.9 3,-2.2 -71,-0.3 -2,-0.2 0.879 107.6 63.5 -74.4 -33.9 0.8 -8.4 4.1 87 122 A R H 3< S+ 0 0 11 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.687 91.1 67.3 -61.5 -20.8 1.1 -9.6 7.7 88 123 A L T << S+ 0 0 15 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.645 93.0 76.3 -70.2 -17.9 -2.2 -7.9 8.5 89 124 A L S < S- 0 0 41 -3,-2.2 -38,-0.0 -4,-0.2 -3,-0.0 -0.721 88.4-110.9-101.0 147.5 -3.9 -10.5 6.2 90 125 A P >> - 0 0 17 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.320 37.4-105.5 -68.9 158.3 -4.7 -14.1 6.9 91 126 A Q H 3> S+ 0 0 127 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.854 119.3 61.0 -52.7 -40.5 -2.7 -16.7 4.9 92 127 A S H 3> S+ 0 0 82 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.882 109.5 42.1 -57.0 -36.6 -5.8 -17.5 2.7 93 128 A Q H <> S+ 0 0 52 -3,-0.9 4,-1.2 2,-0.2 3,-0.4 0.898 113.3 51.4 -79.7 -41.3 -5.8 -13.9 1.5 94 129 A Q H X S+ 0 0 27 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.898 103.2 60.9 -58.2 -37.9 -2.0 -13.6 1.1 95 130 A K H X S+ 0 0 129 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.845 97.9 57.6 -60.8 -37.6 -2.0 -16.8 -1.0 96 131 A K H X S+ 0 0 96 -4,-0.9 4,-1.8 -3,-0.4 -1,-0.2 0.941 109.5 45.2 -58.5 -47.0 -4.3 -15.1 -3.6 97 132 A Y H X S+ 0 0 6 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.943 115.8 44.8 -62.6 -46.5 -1.7 -12.4 -4.1 98 133 A Y H X S+ 0 0 22 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.892 110.4 53.9 -73.5 -35.9 1.3 -14.8 -4.3 99 134 A D H X S+ 0 0 71 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.922 113.9 43.0 -58.9 -43.2 -0.4 -17.2 -6.6 100 135 A E H X S+ 0 0 57 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.912 115.6 48.5 -68.2 -42.9 -1.2 -14.3 -9.0 101 136 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.930 110.1 51.6 -62.6 -44.3 2.3 -12.9 -8.6 102 137 A D H X S+ 0 0 51 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.939 111.1 48.8 -58.6 -46.0 3.9 -16.4 -9.2 103 138 A Y H X S+ 0 0 115 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.928 108.6 52.7 -57.9 -50.4 1.8 -16.7 -12.4 104 139 A W H < S+ 0 0 42 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.931 111.6 45.9 -54.8 -45.8 2.9 -13.2 -13.6 105 140 A F H >< S+ 0 0 10 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.880 109.9 53.7 -66.8 -37.0 6.6 -14.1 -13.2 106 141 A R H 3< S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.772 101.6 63.1 -62.6 -25.4 6.1 -17.5 -14.9 107 142 A Q T 3< S+ 0 0 113 -4,-1.4 2,-0.2 -3,-0.4 -1,-0.2 0.522 103.0 51.7 -79.0 -11.6 4.6 -15.7 -17.9 108 143 A Q < - 0 0 46 -3,-1.1 0, 0.0 -4,-0.3 0, 0.0 -0.770 65.0-150.6-123.2 172.3 7.7 -13.7 -18.7 109 144 A S S S+ 0 0 123 -2,-0.2 -3,-0.1 3,-0.1 3,-0.1 0.188 79.0 68.0-135.1 19.7 11.4 -14.8 -19.3 110 145 A Q S S+ 0 0 106 -5,-0.1 -5,-0.0 1,-0.1 -36,-0.0 0.841 86.1 62.7-103.0 -65.9 13.6 -11.9 -18.2 111 146 A W S 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299 A G T >> S+ 0 0 17 -112,-1.5 4,-1.4 1,-0.3 3,-1.1 0.681 119.6 78.4 -65.9 -23.6 9.2 7.0 7.5 265 300 A I H <> S+ 0 0 0 -113,-0.6 4,-3.1 -3,-0.5 -1,-0.3 0.826 84.9 66.2 -52.7 -31.9 10.6 8.9 10.4 266 301 A S H <> S+ 0 0 7 -3,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.881 98.4 51.2 -60.9 -34.0 13.3 10.2 8.1 267 302 A Y H <4 S+ 0 0 121 -3,-1.1 4,-0.4 -4,-0.3 -1,-0.2 0.932 112.3 46.4 -66.9 -44.8 10.8 12.1 6.0 268 303 A L H >< S+ 0 0 3 -4,-1.4 3,-1.5 1,-0.2 6,-0.3 0.961 114.8 45.9 -57.9 -52.0 9.4 13.8 9.2 269 304 A A H 3< S+ 0 0 3 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.757 113.8 50.2 -66.2 -29.3 12.8 14.7 10.5 270 305 A S T 3< S+ 0 0 56 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.414 86.5 116.2 -84.7 -8.3 14.0 15.9 7.1 271 306 A S S X S- 0 0 14 -3,-1.5 3,-1.4 -4,-0.4 -3,-0.0 -0.290 78.5-115.0 -68.8 156.8 11.0 18.2 6.6 272 307 A Q T 3 S+ 0 0 153 1,-0.3 -1,-0.1 3,-0.1 -4,-0.1 0.652 110.8 68.5 -53.0 -28.0 11.4 21.9 6.3 273 308 A L T 3 S+ 0 0 5 -5,-0.2 2,-0.3 33,-0.0 -1,-0.3 0.754 95.0 64.3 -67.3 -28.0 9.3 22.3 9.5 274 309 A F < - 0 0 12 -3,-1.4 2,-0.5 -6,-0.3 12,-0.1 -0.667 64.4-154.1-104.4 152.7 12.1 20.8 11.7 275 310 A H + 0 0 147 -2,-0.3 2,-0.4 2,-0.0 -5,-0.1 -0.947 28.6 154.8-126.1 103.5 15.6 22.0 12.5 276 311 A F - 0 0 35 -2,-0.5 3,-0.3 -7,-0.2 2,-0.3 -0.984 31.1-137.2-124.2 147.0 18.1 19.3 13.4 277 312 A E S > S+ 0 0 157 -2,-0.4 3,-1.6 3,-0.3 -2,-0.0 -0.695 77.7 8.8 -99.5 153.0 21.8 19.4 13.0 278 313 A N T 3 S- 0 0 126 1,-0.3 -1,-0.2 -2,-0.3 3,-0.1 0.752 120.5 -72.8 59.1 25.9 24.1 16.6 11.7 279 314 A S T 3 S+ 0 0 40 -3,-0.3 61,-2.4 1,-0.2 2,-0.3 0.866 107.0 113.4 53.2 46.7 21.2 14.4 10.6 280 315 A E E < -J 339 0B 54 -3,-1.6 -3,-0.3 59,-0.3 2,-0.3 -0.995 42.5-172.6-144.7 146.7 20.3 13.6 14.2 281 316 A L E -J 338 0B 4 57,-2.9 57,-2.7 -2,-0.3 2,-0.3 -0.798 15.9-139.1-121.4 171.1 17.4 14.4 16.5 282 317 A T > - 0 0 31 -2,-0.3 4,-2.5 55,-0.2 5,-0.2 -0.934 25.3-122.7-122.5 157.8 16.5 13.9 20.1 283 318 A N H > S+ 0 0 0 53,-0.5 4,-2.8 50,-0.4 5,-0.2 0.921 112.1 50.6 -64.7 -43.3 13.0 12.9 21.2 284 319 A Q H 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0 -4,-1.7 3,-1.8 -5,-0.3 -82,-0.4 0.517 123.2 51.1-129.0 -56.9 2.4 22.3 14.1 295 330 A c T 3 -k 212 0C 73 -2,-0.3 4,-2.7 -87,-0.2 5,-0.3 -0.678 33.6-139.7 -78.0 120.2 -3.8 27.6 13.1 299 334 A W H > S+ 0 0 31 -87,-3.1 4,-3.0 -2,-0.5 5,-0.3 0.869 93.9 48.9 -57.2 -48.5 -4.2 24.9 10.5 300 335 A D H > S+ 0 0 113 -88,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 115.8 45.7 -59.2 -41.1 -5.5 27.0 7.5 301 336 A I H > S+ 0 0 98 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.932 114.7 45.8 -66.7 -44.9 -2.7 29.5 8.0 302 337 A L H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.910 111.3 53.1 -66.1 -45.7 0.1 26.9 8.4 303 338 A N H < S+ 0 0 69 -4,-3.0 -1,-0.2 -5,-0.3 6,-0.2 0.895 110.5 48.1 -58.5 -39.6 -1.2 24.9 5.4 304 339 A G H < S+ 0 0 54 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.844 108.6 54.1 -70.3 -30.8 -1.1 28.1 3.3 305 340 A Q H < S+ 0 0 115 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.852 121.9 29.1 -68.0 -34.5 2.5 28.8 4.5 306 341 A Y S >< S+ 0 0 73 -4,-2.0 3,-1.1 -5,-0.1 -1,-0.3 -0.657 76.1 163.1-124.7 73.4 3.7 25.3 3.5 307 342 A P T 3 + 0 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153.7 -8.3 -20.7 17.6 572 247 B N B 3 S+w 658 0G 27 85,-1.5 87,-3.1 83,-0.8 88,-0.3 -0.261 119.4 5.5 -50.7 127.2 -5.8 -23.3 18.9 573 248 B D T 3 S+ 0 0 93 9,-2.8 -1,-0.3 1,-0.3 10,-0.1 0.488 84.5 152.3 70.7 10.7 -2.8 -23.6 16.5 574 249 B Y < - 0 0 16 -3,-2.4 8,-2.6 -7,-0.1 2,-0.9 -0.517 54.3-114.4 -62.6 135.8 -4.0 -20.7 14.3 575 250 B P B -X 581 0H 43 0, 0.0 6,-0.2 0, 0.0 -484,-0.2 -0.596 30.3-153.9 -82.8 108.6 -0.7 -19.4 12.8 576 251 B L > - 0 0 5 4,-2.2 3,-2.3 -2,-0.9 -11,-0.1 -0.408 27.8-111.3 -72.6 155.8 -0.1 -15.8 14.1 577 252 B P T 3 S+ 0 0 37 0, 0.0 -456,-0.2 0, 0.0 -1,-0.1 0.846 117.0 58.5 -64.3 -25.6 1.9 -13.5 11.9 578 253 B D T 3 S- 0 0 79 -14,-0.1 3,-0.1 -458,-0.1 -456,-0.1 0.408 121.6-104.6 -82.4 6.2 4.8 -13.5 14.5 579 254 B G S < S+ 0 0 62 -3,-2.3 2,-0.1 1,-0.3 -1,-0.1 0.342 83.4 122.7 90.3 -9.6 5.1 -17.4 14.2 580 255 B E - 0 0 106 -5,-0.1 -4,-2.2 1,-0.1 2,-0.4 -0.369 61.7-114.1 -77.8 166.0 3.4 -18.1 17.5 581 256 B S B -X 575 0H 61 -6,-0.2 -11,-0.1 -3,-0.1 -9,-0.1 -0.841 25.1-105.8-103.9 142.5 0.3 -20.4 17.7 582 257 B G + 0 0 3 -8,-2.6 -9,-2.8 -2,-0.4 -14,-0.2 -0.279 31.7 178.3 -58.9 150.8 -3.2 -19.4 18.7 583 258 B Q - 0 0 144 -16,-2.7 -12,-0.2 -13,-0.4 73,-0.1 -0.604 28.3-143.3-153.6 76.0 -4.3 -20.7 22.1 584 259 B G + 0 0 2 71,-1.0 2,-0.2 -14,-0.4 -16,-0.2 -0.144 34.8 158.7 -66.5 146.8 -7.8 -19.3 22.4 585 260 B N > - 0 0 54 -17,-3.0 4,-2.8 1,-0.1 5,-0.2 -0.734 21.6-162.1-163.1 97.7 -9.3 -17.9 25.6 586 261 B A H > S+ 0 0 0 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.878 89.1 51.4 -58.9 -48.3 -12.1 -15.6 25.1 587 262 B P H > S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.923 113.8 45.7 -57.8 -39.1 -12.1 -14.0 28.6 588 263 B S H > S+ 0 0 56 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.913 113.5 48.4 -65.9 -44.7 -8.4 -13.3 28.3 589 264 B e H X S+ 0 0 0 -4,-2.8 4,-2.4 -21,-0.4 5,-0.2 0.929 109.1 55.6 -60.0 -41.9 -8.8 -11.9 24.7 590 265 B K H X S+ 0 0 21 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.886 104.1 51.9 -57.3 -47.0 -11.6 -9.8 26.0 591 266 B E H X S+ 0 0 100 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.911 109.7 51.1 -61.0 -36.5 -9.4 -8.2 28.7 592 267 B E H X S+ 0 0 51 -4,-1.9 4,-0.9 1,-0.2 3,-0.5 0.941 112.1 45.1 -62.7 -45.6 -6.9 -7.3 26.0 593 268 B V H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.6 0.882 104.5 63.4 -67.7 -36.9 -9.5 -5.7 23.8 594 269 B T H 3X>S+ 0 0 19 -4,-2.8 4,-3.0 1,-0.2 5,-0.6 0.859 95.9 60.1 -56.7 -33.2 -11.0 -3.9 26.9 595 270 B S H 3X>S+ 0 0 29 -4,-1.3 5,-1.5 -3,-0.5 4,-0.9 0.913 106.8 45.6 -64.5 -35.1 -7.6 -2.0 27.2 596 271 B L H <<>S+ 0 0 0 -4,-0.9 5,-2.3 -3,-0.6 -2,-0.2 0.912 115.3 48.2 -69.7 -40.5 -8.1 -0.5 23.7 597 272 B M H <5S+ 0 0 0 -4,-2.3 6,-2.6 3,-0.2 -2,-0.2 0.938 130.3 14.3 -60.9 -47.5 -11.7 0.3 24.6 598 273 B N H X5S+ 0 0 20 -4,-3.0 4,-0.6 4,-0.3 -3,-0.2 0.850 126.3 45.5-105.4 -48.7 -11.1 2.0 27.9 599 274 B S T < S+ 0 0 0 -6,-2.6 4,-2.9 1,-0.2 5,-0.4 0.941 70.0 50.8 -57.1 -48.5 -15.4 4.4 25.9 604 279 B N H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 109.4 48.3 -55.2 -49.0 -16.5 3.6 29.5 605 280 B Q H 4 S+ 0 0 135 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.804 117.9 42.0 -64.3 -30.9 -15.9 7.2 30.8 606 281 B Q H < S+ 0 0 74 -4,-1.6 4,-0.3 -3,-0.2 -1,-0.2 0.871 126.3 27.2 -82.3 -41.0 -17.8 8.7 27.9 607 282 B I H >X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 3,-0.5 0.875 107.4 63.4 -95.8 -44.1 -20.8 6.3 27.6 608 283 B Q H 3X S+ 0 0 73 -4,-2.0 4,-2.6 -5,-0.4 5,-0.2 0.865 100.6 51.4 -58.3 -42.5 -21.5 4.8 30.9 609 284 B P H 3> S+ 0 0 69 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.881 113.2 47.8 -64.5 -32.8 -22.5 7.9 32.9 610 285 B L H <> S+ 0 0 19 -3,-0.5 4,-1.3 -4,-0.3 -2,-0.2 0.916 113.2 45.4 -71.7 -45.0 -25.0 8.9 30.1 611 286 B L H < S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.2 0.871 107.8 58.5 -67.8 -34.8 -26.6 5.5 29.9 612 287 B A H < S+ 0 0 81 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.914 114.7 37.4 -58.9 -40.6 -26.8 5.2 33.7 613 288 B L H < S+ 0 0 133 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.641 126.2 37.7 -82.6 -17.2 -28.9 8.4 33.6 614 289 B N S < S- 0 0 33 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.1 -0.613 85.7-160.4-132.5 62.7 -30.8 7.6 30.4 615 290 B P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -109,-0.1 -0.191 10.4-133.6 -60.8 146.6 -31.5 3.9 30.5 616 291 B V - 0 0 19 1,-0.1 -109,-0.2 -5,-0.1 3,-0.1 -0.803 11.6-164.5 -96.0 134.9 -32.3 2.0 27.3 617 292 B N S S+ 0 0 78 -111,-1.9 2,-0.4 -2,-0.4 -110,-0.2 0.864 77.1 22.2 -86.9 -36.8 -35.3 -0.4 27.4 618 293 B E E -q 507 0F 79 -112,-2.1 -110,-2.9 2,-0.0 2,-0.4 -0.998 69.0-154.1-138.2 130.7 -34.5 -2.3 24.1 619 294 B W E -qu 508 698F 11 78,-0.5 80,-2.9 -2,-0.4 2,-0.4 -0.895 8.0-172.7-104.4 133.1 -31.2 -2.7 22.3 620 295 B Y E -qu 509 699F 33 -112,-2.3 -110,-2.5 -2,-0.4 2,-0.4 -0.994 5.3-162.7-124.8 133.5 -30.9 -3.3 18.6 621 296 B S E +qu 510 700F 0 78,-2.8 80,-0.8 -2,-0.4 -110,-0.2 -0.937 12.1 173.0-112.9 134.0 -27.5 -4.1 16.9 622 297 B I E > +q 511 0F 3 -112,-2.7 -110,-2.5 -2,-0.4 3,-0.5 -0.630 40.3 55.0-123.8-174.4 -26.9 -3.8 13.2 623 298 B G E > S-q 512 0F 27 84,-0.5 3,-1.6 -112,-0.2 4,-0.4 -0.475 111.5 -18.1 84.4-155.7 -23.7 -4.1 11.1 624 299 B G T >> S+ 0 0 19 -112,-2.4 4,-1.4 1,-0.3 3,-1.1 0.694 119.4 75.3 -66.7 -22.0 -21.3 -7.1 11.2 625 300 B I H <> S+ 0 0 0 -3,-0.5 4,-2.9 -113,-0.3 -1,-0.3 0.842 87.5 63.9 -63.6 -26.2 -22.4 -8.6 14.5 626 301 B S H <> S+ 0 0 6 -3,-1.6 4,-1.2 1,-0.2 -1,-0.3 0.876 101.1 49.8 -68.3 -29.1 -25.5 -9.9 12.7 627 302 B Y H <4 S+ 0 0 119 -3,-1.1 4,-0.4 -4,-0.4 -1,-0.2 0.919 112.5 47.4 -72.4 -39.4 -23.3 -12.1 10.5 628 303 B L H >< S+ 0 0 4 -4,-1.4 3,-1.6 1,-0.2 6,-0.3 0.956 112.7 47.5 -64.3 -48.4 -21.5 -13.5 13.5 629 304 B A H 3< S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.3 7,-0.2 0.736 113.6 49.8 -66.7 -25.7 -24.6 -14.2 15.5 630 305 B S T 3< S+ 0 0 58 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.397 86.9 114.1 -89.4 -2.1 -26.2 -15.9 12.4 631 306 B S S X S- 0 0 13 -3,-1.6 3,-1.3 -4,-0.4 -3,-0.0 -0.268 79.8-110.0 -76.1 164.2 -23.3 -18.2 11.6 632 307 B Q T 3 S+ 0 0 134 1,-0.3 -1,-0.1 3,-0.1 -4,-0.0 0.768 114.1 61.6 -56.2 -37.1 -23.4 -22.1 11.9 633 308 B L T 3 S+ 0 0 5 -5,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.737 100.2 64.0 -67.4 -24.2 -21.1 -22.1 15.0 634 309 B F < - 0 0 15 -3,-1.3 2,-0.4 -6,-0.3 12,-0.1 -0.652 64.0-155.9-104.3 155.7 -23.5 -20.0 17.1 635 310 B H + 0 0 131 -2,-0.2 2,-0.3 2,-0.0 -5,-0.1 -0.928 24.2 153.1-131.1 116.0 -27.1 -20.7 18.4 636 311 B F - 0 0 32 -2,-0.4 3,-0.3 -7,-0.2 2,-0.3 -0.995 27.4-144.2-135.1 147.7 -29.5 -17.9 19.3 637 312 B E S > S+ 0 0 132 -2,-0.3 3,-1.3 3,-0.2 -2,-0.0 -0.728 76.3 15.8-105.5 154.8 -33.3 -17.9 19.3 638 313 B N T 3 S- 0 0 126 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.667 118.5 -76.9 63.2 24.7 -35.6 -15.1 18.4 639 314 B S T 3 S+ 0 0 42 -3,-0.3 61,-2.5 1,-0.2 2,-0.3 0.890 105.0 113.6 53.3 40.8 -32.9 -13.0 16.6 640 315 B E E < -V 699 0F 58 -3,-1.3 2,-0.3 59,-0.3 -3,-0.2 -0.993 41.8-177.4-141.9 151.3 -31.5 -12.0 20.0 641 316 B L E -V 698 0F 3 57,-2.7 57,-3.2 -2,-0.3 2,-0.3 -0.847 16.9-140.1-129.3 169.8 -28.3 -12.6 21.9 642 317 B T E > -V 697 0F 28 -2,-0.3 4,-2.5 55,-0.2 5,-0.2 -0.942 24.1-124.4-125.2 154.5 -26.7 -11.8 25.2 643 318 B N H > S+ 0 0 0 53,-0.5 4,-2.6 50,-0.4 5,-0.3 0.884 111.4 55.0 -60.4 -43.1 -23.1 -10.8 25.7 644 319 B Q H > S+ 0 0 80 50,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.933 113.0 42.8 -55.4 -46.1 -22.6 -13.6 28.3 645 320 B S H > S+ 0 0 31 49,-0.4 4,-2.9 2,-0.2 5,-0.3 0.893 112.3 52.1 -73.2 -36.3 -23.8 -16.2 25.8 646 321 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.947 112.9 45.3 -65.7 -41.4 -22.0 -14.7 22.8 647 322 B L H X S+ 0 0 18 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.940 115.2 47.5 -66.7 -45.4 -18.6 -14.8 24.7 648 323 B Q H X S+ 0 0 81 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.921 114.1 46.8 -60.6 -44.9 -19.3 -18.4 26.1 649 324 B Q H X S+ 0 0 34 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.894 113.1 48.1 -67.0 -41.5 -20.3 -19.7 22.6 650 325 B G H X>S+ 0 0 0 -4,-2.3 5,-2.4 -5,-0.3 4,-2.1 0.921 113.7 49.4 -64.0 -41.0 -17.3 -18.1 20.9 651 326 B D H <>S+ 0 0 14 -4,-2.6 5,-2.1 -5,-0.2 -2,-0.2 0.950 118.0 37.2 -60.7 -47.4 -15.0 -19.5 23.6 652 327 B N H <5S+ 0 0 80 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.848 124.6 38.4 -73.8 -42.0 -16.4 -23.0 23.4 653 328 B Q H <5S+ 0 0 73 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.674 135.1 4.7 -90.9 -23.2 -16.9 -23.2 19.5 654 329 B I T ><5S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.3 -82,-0.4 0.649 121.7 53.5-126.6 -56.5 -13.9 -21.3 18.2 655 330 B f T 3 -w 572 0G 75 -2,-0.2 4,-2.6 -87,-0.2 5,-0.2 -0.658 27.8-141.5 -87.0 126.2 -8.3 -26.6 16.5 659 334 B W H > S+ 0 0 27 -87,-3.1 4,-3.2 -2,-0.5 5,-0.3 0.883 96.0 50.1 -53.6 -51.4 -7.9 -24.2 13.7 660 335 B D H > S+ 0 0 128 -88,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.905 113.5 46.9 -58.4 -43.2 -7.2 -26.7 10.8 661 336 B I H > S+ 0 0 108 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.947 115.4 45.0 -63.0 -47.6 -10.3 -28.7 11.7 662 337 B L H X S+ 0 0 9 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.933 112.5 50.9 -62.6 -47.9 -12.5 -25.7 12.0 663 338 B N H < S+ 0 0 74 -4,-3.2 3,-0.2 1,-0.2 -1,-0.2 0.925 112.9 46.7 -56.6 -42.7 -11.1 -24.1 8.7 664 339 B G H < S+ 0 0 59 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.830 112.6 50.6 -70.0 -33.4 -11.7 -27.4 6.9 665 340 B Q H < S+ 0 0 117 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.735 119.1 34.2 -75.5 -28.7 -15.3 -27.7 8.4 666 341 B Y >< + 0 0 32 -4,-1.9 3,-1.2 -3,-0.2 -1,-0.2 -0.617 66.8 159.7-125.9 67.9 -16.4 -24.1 7.5 667 342 B P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.695 72.2 54.9 -73.6 -13.0 -14.7 -23.4 4.2 668 343 B D T 3 S+ 0 0 137 -3,-0.1 2,-1.3 1,-0.1 3,-0.1 0.521 80.5 90.2 -86.2 -16.5 -17.2 -20.6 3.2 669 344 B D X + 0 0 25 -3,-1.2 3,-1.5 1,-0.2 4,-0.3 -0.714 50.4 177.9 -86.8 89.0 -16.8 -18.4 6.3 670 345 B E T 3 S+ 0 0 101 -2,-1.3 3,-0.2 1,-0.3 -1,-0.2 0.678 84.3 52.0 -69.4 -5.5 -13.9 -16.1 5.1 671 346 B Y T > S+ 0 0 103 1,-0.1 3,-2.3 -3,-0.1 4,-0.3 0.471 79.4 103.1-100.3 -7.8 -14.3 -14.3 8.5 672 347 B L G X + 0 0 2 -3,-1.5 3,-2.4 1,-0.3 4,-0.4 0.833 68.7 64.2 -48.4 -41.8 -14.0 -17.6 10.6 673 348 B Y G 3 S+ 0 0 29 -4,-0.3 -102,-0.4 1,-0.3 -1,-0.3 0.717 104.8 47.2 -62.5 -21.9 -10.5 -17.1 11.7 674 349 B Q G <> S+ 0 0 22 -3,-2.3 4,-3.0 1,-0.1 -1,-0.3 0.339 80.7 100.5 -97.1 6.4 -11.5 -13.9 13.6 675 350 B Y H <> S+ 0 0 13 -3,-2.4 4,-2.2 -4,-0.3 5,-0.2 0.840 81.5 49.9 -66.3 -33.7 -14.5 -15.4 15.3 676 351 B f H > S+ 0 0 0 -4,-0.4 4,-2.0 -3,-0.2 -1,-0.2 0.961 115.9 44.6 -62.2 -48.2 -12.8 -16.0 18.7 677 352 B L H > S+ 0 0 0 -108,-0.9 4,-3.1 -4,-0.3 -2,-0.2 0.904 113.5 50.0 -58.6 -47.1 -11.5 -12.3 18.6 678 353 B L H X S+ 0 0 12 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.901 108.6 50.5 -66.1 -40.5 -14.9 -10.9 17.5 679 354 B S H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.935 116.2 44.0 -60.7 -40.6 -16.8 -12.7 20.3 680 355 B S H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.903 114.4 49.6 -69.8 -43.1 -14.3 -11.3 22.8 681 356 B Y H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.874 106.8 53.0 -68.4 -39.4 -14.3 -7.9 21.3 682 357 B Y H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.913 112.1 47.0 -63.5 -39.8 -18.1 -7.5 21.1 683 358 B Y H X>S+ 0 0 34 -4,-1.6 4,-2.6 -5,-0.2 5,-1.3 0.928 111.6 50.5 -64.0 -47.7 -18.3 -8.3 24.9 684 359 B A H <>S+ 0 0 0 -4,-2.5 5,-1.9 3,-0.2 -2,-0.2 0.925 115.7 43.6 -53.7 -45.7 -15.4 -5.9 25.6 685 360 B L H <>S+ 0 0 0 -4,-2.6 5,-2.8 3,-0.2 6,-0.2 0.956 123.2 32.9 -64.5 -55.3 -17.2 -3.1 23.6 686 361 B M H <5S+ 0 0 0 -4,-2.8 6,-2.6 3,-0.2 -3,-0.2 0.888 131.7 27.0 -76.3 -44.2 -20.8 -3.6 25.0 687 362 B V T X5S+ 0 0 16 -4,-2.6 4,-0.8 -5,-0.3 -3,-0.2 0.942 132.8 29.5 -84.5 -61.3 -20.1 -4.8 28.5 688 363 B D T 4 - 0 0 95 -2,-0.1 3,-1.9 1,-0.1 -50,-0.4 -0.408 23.4-125.3 -61.4 138.4 -25.2 -6.1 31.6 694 369 B P T 3 S+ 0 0 33 0, 0.0 -50,-2.9 0, 0.0 -49,-0.4 0.797 112.0 46.4 -54.7 -27.9 -23.8 -9.4 30.3 695 370 B N T 3 S+ 0 0 104 -52,-0.2 2,-0.3 -53,-0.2 -2,-0.1 0.400 84.1 120.4-100.6 9.8 -27.2 -11.0 30.5 696 371 B Q < - 0 0 65 -3,-1.9 -53,-0.5 1,-0.1 2,-0.2 -0.494 68.8-115.7 -73.0 129.3 -29.1 -8.1 28.8 697 372 B T E - V 0 642F 42 -2,-0.3 -78,-0.5 -55,-0.1 2,-0.5 -0.490 28.5-167.4 -63.2 133.6 -30.9 -9.1 25.6 698 373 B I E -uV 619 641F 0 -57,-3.2 -57,-2.7 -2,-0.2 2,-0.2 -0.986 12.5-144.1-122.5 116.9 -29.5 -7.5 22.4 699 374 B H E -uV 620 640F 34 -80,-2.9 -78,-2.8 -2,-0.5 2,-0.3 -0.577 17.0-170.1 -75.5 144.2 -31.7 -7.8 19.3 700 375 B Y E -u 621 0F 14 -61,-2.5 -78,-0.2 -2,-0.2 -81,-0.0 -0.926 18.9-124.7-129.7 164.1 -30.0 -8.3 15.9 701 376 B I - 0 0 18 -80,-0.8 6,-0.1 -2,-0.3 5,-0.1 -0.909 32.6-104.0-111.8 129.4 -31.5 -8.2 12.5 702 377 B P > - 0 0 23 0, 0.0 3,-2.0 0, 0.0 5,-0.4 -0.185 27.9-128.8 -48.1 135.0 -31.1 -11.1 10.0 703 378 B P G > S+ 0 0 31 0, 0.0 3,-2.1 0, 0.0 4,-0.1 0.832 105.5 69.2 -58.3 -32.1 -28.5 -10.1 7.4 704 379 B E G 3 S+ 0 0 143 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.711 86.2 68.9 -63.7 -15.2 -30.9 -11.1 4.6 705 380 B Q G < S- 0 0 85 -3,-2.0 -1,-0.3 2,-0.1 3,-0.1 0.571 96.2-140.8 -76.2 -9.4 -33.1 -8.0 5.6 706 381 B N < + 0 0 41 -3,-2.1 2,-1.2 -4,-0.2 -2,-0.1 0.837 36.8 168.3 56.0 35.1 -30.4 -5.7 4.3 707 382 B L + 0 0 20 -5,-0.4 -84,-0.5 -4,-0.1 -1,-0.2 -0.718 10.6 139.6 -90.1 98.7 -30.9 -3.2 7.2 708 383 B D S > S- 0 0 21 -2,-1.2 3,-0.6 -3,-0.1 4,-0.2 -0.459 71.2 -81.4-114.1-165.3 -28.1 -0.7 7.2 709 384 B W T >> S+ 0 0 3 1,-0.2 3,-1.6 -2,-0.2 4,-0.6 0.476 101.7 98.7 -78.4 -4.4 -28.5 3.0 7.9 710 385 B T H >> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-1.0 0.796 71.6 63.3 -63.9 -29.2 -29.5 3.9 4.4 711 386 B I H <> S+ 0 0 22 -3,-0.6 4,-1.9 1,-0.3 -1,-0.3 0.860 95.4 63.9 -58.3 -33.2 -33.3 4.0 5.2 712 387 B G H <> S+ 0 0 0 -3,-1.6 4,-1.7 -225,-0.3 -1,-0.3 0.848 97.6 53.7 -60.4 -32.1 -32.4 6.9 7.4 713 388 B V H << S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.906 105.6 54.2 -67.5 -41.1 -31.2 8.9 4.3 714 389 B V H < S+ 0 0 2 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.944 116.2 38.3 -56.3 -44.7 -34.6 8.3 2.7 715 390 B L H < S+ 0 0 17 -4,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.750 127.4 29.1 -75.1 -28.8 -36.3 9.8 5.9 716 391 B H < - 0 0 33 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.0 -0.881 55.8-179.5-147.0 99.1 -33.9 12.6 6.6 717 392 B R + 0 0 86 -2,-0.3 2,-0.1 -3,-0.2 -1,-0.1 0.604 56.1 93.8 -84.5 -13.9 -31.9 14.4 3.9 718 393 B A - 0 0 59 -5,-0.0 2,-0.3 -235,-0.0 -2,-0.1 -0.402 60.7-148.6 -75.6 153.5 -29.9 16.8 6.1 719 394 B L 0 0 38 1,-0.1 -2,-0.0 -2,-0.1 -240,-0.0 -0.828 360.0 360.0-116.0 152.8 -26.5 16.2 7.6 720 395 B E 0 0 135 -2,-0.3 -1,-0.1 -240,-0.1 -237,-0.1 -0.095 360.0 360.0 -72.3 360.0 -25.6 17.8 11.0