==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-00 1E7D . COMPND 2 MOLECULE: RECOMBINATION ENDONUCLEASE VII; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR H.C.A.RAAIJMAKERS,O.VIX,I.TORO,D.SUCK . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 0 0 0 0 1 2 1 2 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 M 0 0 97 0, 0.0 261,-1.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0-163.9 10.8 9.8 -6.9 2 2 A L B -a 262 0A 15 313,-0.2 261,-0.2 259,-0.1 5,-0.1 -0.946 360.0-125.7-117.1 105.2 9.6 6.3 -5.9 3 3 A L - 0 0 3 259,-3.4 2,-0.1 -2,-0.6 3,-0.0 -0.395 39.2-165.4 -49.4 122.8 12.1 3.5 -6.6 4 4 A T > - 0 0 75 259,-0.1 4,-0.9 -2,-0.0 -1,-0.1 -0.077 33.8 -75.9 -96.5-159.8 10.1 1.2 -8.7 5 5 A G T 4 S+ 0 0 66 2,-0.2 3,-0.4 1,-0.1 4,-0.3 0.997 126.8 24.7 -62.9 -68.2 10.6 -2.5 -9.8 6 6 A K T >> S+ 0 0 158 1,-0.2 3,-2.0 2,-0.2 4,-0.9 0.916 116.2 63.3 -67.7 -41.8 13.3 -2.1 -12.5 7 7 A L H 3> S+ 0 0 54 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.818 90.1 70.6 -55.8 -30.9 14.7 1.1 -11.2 8 8 A Y H 3X S+ 0 0 56 -4,-0.9 4,-1.0 -3,-0.4 -1,-0.3 0.724 95.1 51.5 -57.0 -34.6 15.7 -0.6 -7.9 9 9 A K H <> S+ 0 0 129 -3,-2.0 4,-1.1 -4,-0.3 -1,-0.2 0.866 111.2 48.4 -76.9 -26.4 18.5 -2.6 -9.6 10 10 A E H X S+ 0 0 102 -4,-0.9 4,-1.9 -3,-0.4 -2,-0.2 0.720 105.9 57.4 -85.8 -19.1 19.9 0.5 -11.2 11 11 A E H X S+ 0 0 2 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.789 103.3 51.6 -80.1 -36.5 19.9 2.5 -7.9 12 12 A K H X S+ 0 0 21 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.884 110.7 50.6 -65.4 -38.7 22.0 -0.1 -6.1 13 13 A Q H X S+ 0 0 78 -4,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.889 106.9 55.4 -64.1 -45.6 24.4 0.3 -9.0 14 14 A K H >X S+ 0 0 122 -4,-1.9 4,-1.6 1,-0.2 3,-1.1 0.980 113.2 38.8 -45.0 -70.7 24.3 4.1 -8.6 15 15 A F H 3X S+ 0 0 30 -4,-2.0 4,-1.4 1,-0.3 -1,-0.2 0.696 108.1 65.6 -55.3 -34.5 25.4 4.0 -4.9 16 16 A Y H 3<>S+ 0 0 38 -4,-1.6 5,-3.0 2,-0.2 6,-0.3 0.892 107.4 37.9 -56.5 -43.7 27.9 1.2 -5.5 17 17 A D H X<5S+ 0 0 98 -4,-1.3 3,-0.8 -3,-1.1 -2,-0.2 0.823 114.5 52.7 -83.7 -33.4 30.2 3.2 -7.7 18 18 A A H 3<5S+ 0 0 91 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.760 113.7 45.8 -73.5 -24.6 29.8 6.5 -5.7 19 19 A Q T ><5S- 0 0 19 -4,-1.4 3,-1.9 -5,-0.3 -1,-0.3 0.384 110.4-131.1 -92.3 0.6 30.7 4.4 -2.7 20 20 A N T < 5 - 0 0 122 -3,-0.8 -3,-0.2 1,-0.3 -4,-0.1 0.932 67.5 -57.3 43.4 48.3 33.5 2.9 -4.8 21 21 A G T 3 - 0 0 1 5,-2.3 4,-2.1 -2,-0.4 34,-0.2 -0.629 21.8-139.3 -73.4 134.9 30.2 -0.1 2.8 24 24 A L T 4 S+ 0 0 59 32,-0.9 -1,-0.1 -2,-0.4 33,-0.1 0.469 98.6 39.2 -72.5 -11.4 29.2 3.4 4.1 25 25 A I T 4 S+ 0 0 0 3,-0.1 -1,-0.2 227,-0.1 223,-0.1 0.791 130.5 20.0-107.8 -45.7 29.2 2.2 7.7 26 26 A C T 4 S- 0 0 16 2,-0.1 -2,-0.2 222,-0.1 3,-0.1 0.559 89.0-134.4 -98.5 -18.5 32.2 -0.3 8.1 27 27 A Q < + 0 0 99 -4,-2.1 -3,-0.1 1,-0.2 2,-0.1 0.470 59.0 132.4 75.5 11.7 34.3 0.8 5.1 28 28 A R - 0 0 72 1,-0.1 -5,-2.3 -6,-0.1 -1,-0.2 -0.360 69.6 -73.6 -88.6 165.6 34.9 -2.8 3.9 29 29 A E B -C 22 0B 110 -7,-0.2 -7,-0.2 -3,-0.1 -1,-0.1 -0.326 49.7-138.9 -60.0 118.2 34.6 -4.3 0.4 30 30 A L - 0 0 5 -9,-3.5 28,-0.1 1,-0.2 4,-0.1 -0.282 41.8 -70.9 -62.6 169.7 31.0 -4.7 -0.5 31 31 A N - 0 0 73 2,-0.2 -1,-0.2 1,-0.1 6,-0.1 -0.385 37.3-133.9 -58.4 134.0 29.9 -7.9 -2.3 32 32 A P S S+ 0 0 107 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.813 96.9 82.5 -62.1 -34.9 31.2 -7.9 -5.9 33 33 A D S >> S- 0 0 100 1,-0.2 3,-0.9 2,-0.1 4,-0.5 -0.676 78.6-156.4 -67.5 105.3 27.6 -9.0 -6.7 34 34 A V G >4 S+ 0 0 20 -2,-0.8 3,-1.1 1,-0.3 -1,-0.2 0.935 87.8 48.2 -65.3 -31.4 26.1 -5.5 -6.7 35 35 A Q G 34 S+ 0 0 56 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.544 94.5 72.5 -85.7 -8.8 22.6 -6.7 -6.0 36 36 A A G <4 S+ 0 0 47 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.672 87.4 88.8 -77.3 -11.3 23.6 -9.0 -3.1 37 37 A N S << S- 0 0 4 -3,-1.1 2,-0.4 -4,-0.5 21,-0.2 -0.440 85.2-110.6 -84.5 158.4 24.1 -5.8 -1.2 38 38 A H E -D 57 0C 69 19,-1.4 19,-1.9 -2,-0.1 2,-1.1 -0.710 12.5-142.8 -98.2 126.8 21.5 -4.0 0.9 39 39 A L E -D 56 0C 7 -2,-0.4 17,-0.3 17,-0.2 2,-0.1 -0.833 28.7-149.5 -89.2 93.7 20.0 -0.7 -0.2 40 40 A D E +D 55 0C 6 15,-2.9 14,-3.3 -2,-1.1 15,-1.5 -0.406 22.8 170.1 -65.9 143.0 19.6 1.0 3.2 41 41 A H E -D 53 0C 14 12,-0.3 2,-0.3 13,-0.2 12,-0.3 -0.960 39.4 -89.7-152.3 160.4 16.7 3.4 3.8 42 42 A D - 0 0 7 10,-2.3 9,-1.2 7,-0.3 221,-0.1 -0.603 25.2-158.4 -83.1 127.1 15.1 5.3 6.7 43 43 A H + 0 0 119 -2,-0.3 -1,-0.1 7,-0.1 7,-0.1 0.682 54.8 116.5 -78.3 -26.6 12.2 3.4 8.3 44 44 A E - 0 0 86 1,-0.1 7,-0.6 5,-0.1 8,-0.1 -0.104 50.9-159.7 -34.8 145.2 10.6 6.5 9.8 45 45 A L + 0 0 43 5,-0.2 2,-0.4 6,-0.1 -1,-0.1 0.571 68.0 68.7-110.7 -13.8 7.1 7.0 8.3 46 46 A N S S+ 0 0 99 3,-0.0 3,-0.3 2,-0.0 5,-0.1 -0.866 88.4 2.6-117.9 131.8 6.8 10.7 9.2 47 47 A G S > S- 0 0 51 -2,-0.4 3,-1.2 1,-0.2 0, 0.0 -0.275 98.4 -41.8 99.2-172.6 8.7 13.7 7.9 48 48 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.548 128.6 51.9 -74.9 -14.6 11.3 14.4 5.2 49 49 A K T > S+ 0 0 59 -3,-0.3 3,-1.5 210,-0.1 -7,-0.3 0.458 81.7 133.3 -96.0 -5.5 13.7 11.5 5.8 50 50 A A T < S- 0 0 9 -3,-1.2 -5,-0.2 1,-0.3 -7,-0.1 -0.259 81.8 -13.9 -58.5 114.2 10.7 9.1 5.5 51 51 A G T 3 S+ 0 0 2 -9,-1.2 212,-3.5 -7,-0.6 2,-0.3 0.537 96.4 152.6 79.4 2.3 11.3 6.0 3.4 52 52 A K B < -B 262 0A 34 -3,-1.5 -10,-2.3 210,-0.3 -1,-0.3 -0.535 50.3-116.7 -66.3 132.4 14.4 7.7 1.9 53 53 A V E +D 41 0C 0 208,-3.3 -12,-0.3 -2,-0.3 207,-0.2 -0.337 31.8 179.2 -68.5 128.7 17.3 5.6 0.6 54 54 A R E - 0 0 20 -14,-3.3 2,-0.3 1,-0.3 -13,-0.2 0.696 49.5 -65.2-103.9 -35.5 20.4 6.3 2.7 55 55 A G E -D 40 0C 0 -15,-1.5 -15,-2.9 202,-0.0 2,-0.6 -0.998 50.6 -68.3 171.2-173.0 23.0 4.0 1.1 56 56 A L E -D 39 0C 0 -2,-0.3 -32,-0.9 -17,-0.3 -17,-0.2 -0.917 50.3-179.1-110.9 109.2 24.3 0.6 0.2 57 57 A L E -D 38 0C 0 -19,-1.9 -19,-1.4 -2,-0.6 2,-0.1 -0.515 28.8-107.2 -98.3 166.2 25.5 -1.3 3.2 58 58 A C > - 0 0 5 -2,-0.2 4,-1.3 -21,-0.2 5,-0.2 -0.407 40.4-101.6 -78.7 177.7 27.0 -4.8 3.6 59 59 A N H > S+ 0 0 99 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.881 119.8 50.0 -62.6 -42.3 24.9 -7.6 5.1 60 60 A L H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.955 110.9 45.7 -73.5 -46.1 26.5 -7.3 8.5 61 61 A C H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.739 112.3 52.3 -65.5 -33.9 26.2 -3.6 9.0 62 62 A N H X S+ 0 0 49 -4,-1.3 4,-2.0 2,-0.2 5,-0.2 0.916 112.3 45.0 -70.0 -42.9 22.5 -3.6 7.8 63 63 A A H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.978 114.7 50.4 -60.5 -46.9 21.7 -6.4 10.3 64 64 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.929 112.5 44.7 -55.8 -55.0 23.6 -4.5 13.0 65 65 A E H X S+ 0 0 14 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.857 112.5 50.2 -54.7 -52.7 21.9 -1.1 12.4 66 66 A G H X S+ 0 0 30 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.859 108.6 54.2 -58.0 -38.7 18.4 -2.6 12.2 67 67 A Q H X S+ 0 0 66 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.971 108.4 48.9 -58.3 -55.2 18.9 -4.5 15.4 68 68 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.866 110.2 48.5 -59.9 -36.1 19.9 -1.3 17.2 69 69 A K H X S+ 0 0 29 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.850 111.7 52.0 -73.6 -28.0 16.9 0.8 16.1 70 70 A H H X S+ 0 0 83 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.914 110.7 47.3 -69.8 -39.7 14.6 -2.1 17.0 71 71 A K H X S+ 0 0 37 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.873 111.0 51.5 -70.6 -39.6 16.2 -2.2 20.5 72 72 A F H X>S+ 0 0 1 -4,-2.3 6,-0.8 2,-0.2 5,-0.7 0.825 111.4 48.5 -61.8 -40.4 15.9 1.6 20.8 73 73 A N H ><5S+ 0 0 30 -4,-1.7 3,-0.7 1,-0.2 6,-0.4 0.941 113.0 44.9 -71.4 -44.4 12.2 1.4 19.9 74 74 A R H 3<5S+ 0 0 159 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.616 97.9 77.4 -65.1 -28.9 11.3 -1.4 22.3 75 75 A S H 3<5S- 0 0 30 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.825 103.0-117.5 -58.0 -37.6 13.2 0.2 25.1 76 76 A G T XS+ 0 0 0 -5,-0.7 5,-2.7 2,-0.2 4,-0.5 0.756 79.6 50.4 -79.7 -37.6 12.9 5.8 25.1 78 78 A K H >45S+ 0 0 97 -6,-0.8 3,-2.1 -5,-0.3 -1,-0.1 0.973 109.8 54.0 -58.3 -47.8 11.2 6.5 21.8 79 79 A G H 345S+ 0 0 76 -6,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.709 105.7 51.4 -58.4 -29.7 8.0 6.5 23.9 80 80 A Q H 3<5S- 0 0 90 -4,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.530 123.3-103.2 -94.1 2.3 9.4 9.0 26.3 81 81 A G T <<5 + 0 0 54 -3,-2.1 2,-0.3 -4,-0.5 -3,-0.2 0.679 67.3 150.0 94.3 18.8 10.3 11.4 23.5 82 82 A V < - 0 0 18 -5,-2.7 2,-0.5 1,-0.0 -1,-0.3 -0.656 45.2-123.3 -87.0 140.6 14.1 10.8 23.2 83 83 A D > - 0 0 74 -2,-0.3 4,-3.3 101,-0.1 3,-0.3 -0.773 8.5-142.9 -89.2 127.8 15.6 11.3 19.7 84 84 A Y H > S+ 0 0 17 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.844 101.8 44.3 -60.2 -38.6 17.6 8.3 18.3 85 85 A L H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.904 115.4 49.8 -70.3 -39.3 20.3 10.4 16.6 86 86 A E H > S+ 0 0 123 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.937 113.3 46.7 -62.5 -44.5 20.5 12.6 19.7 87 87 A W H X S+ 0 0 1 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.891 109.7 51.5 -63.7 -51.5 20.8 9.5 21.9 88 88 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.833 108.5 52.7 -57.0 -38.9 23.4 7.7 19.8 89 89 A E H X S+ 0 0 74 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.935 114.3 41.5 -65.2 -45.4 25.6 10.8 19.8 90 90 A N H X S+ 0 0 44 -4,-2.0 4,-2.0 93,-0.2 -2,-0.2 0.746 113.8 54.1 -69.2 -35.2 25.4 11.0 23.6 91 91 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.827 110.4 46.7 -62.8 -40.6 25.9 7.2 23.6 92 92 A L H X S+ 0 0 12 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.985 114.1 46.6 -63.5 -53.6 29.0 7.6 21.5 93 93 A T H < S+ 0 0 100 -4,-2.9 -2,-0.2 1,-0.2 3,-0.2 0.876 113.6 49.9 -49.7 -49.5 30.3 10.4 23.8 94 94 A Y H >< S+ 0 0 8 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.912 111.9 46.7 -52.0 -59.4 29.5 8.3 26.9 95 95 A L H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.687 109.0 54.7 -58.3 -25.9 31.3 5.3 25.6 96 96 A K T 3< S+ 0 0 91 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.267 86.3 114.2 -92.5 6.6 34.4 7.2 24.5 97 97 A S S < S- 0 0 49 -3,-1.2 2,-0.9 -5,-0.2 -3,-0.1 -0.269 78.9 -96.2 -68.0 172.2 34.9 8.7 28.0 98 98 A D + 0 0 144 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 -0.731 61.0 140.3 -94.8 108.5 37.9 7.9 30.2 99 99 A Y > + 0 0 5 -2,-0.9 3,-1.8 2,-0.1 2,-0.2 0.296 31.9 110.3-131.8 6.8 37.1 5.1 32.7 100 100 A T T 3 S+ 0 0 47 1,-0.3 107,-0.1 2,-0.1 0, 0.0 -0.696 92.5 31.1 -77.4 120.1 40.2 2.9 32.7 101 101 A Q T 3 S+ 0 0 185 105,-0.4 -1,-0.3 -2,-0.2 3,-0.1 0.306 92.9 114.5 96.3 8.5 41.3 3.9 36.3 102 102 A N S < S- 0 0 50 -3,-1.8 109,-0.1 1,-0.2 -2,-0.1 0.171 81.8 -87.5 -95.9 12.2 37.6 4.3 37.4 103 103 A N - 0 0 28 107,-0.1 108,-2.4 2,-0.0 2,-0.4 0.379 44.8 -93.3 87.8 145.9 37.0 1.6 40.0 104 104 A I B -eF 160 210D 15 55,-3.2 57,-2.8 106,-0.2 106,-0.2 -0.711 28.6-123.8-106.7 128.0 35.8 -2.0 39.5 105 105 A H > - 0 0 7 104,-3.3 3,-2.1 -2,-0.4 4,-0.5 -0.408 26.7-119.3 -64.3 138.9 32.2 -3.2 39.5 106 106 A P T 3> S+ 0 0 41 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.687 107.7 67.3 -56.6 -21.6 31.6 -6.0 42.0 107 107 A N H 3> S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.608 80.6 76.4 -80.8 -7.8 30.6 -8.4 39.2 108 108 A F H <> S+ 0 0 16 -3,-2.1 4,-2.6 101,-0.2 5,-0.4 0.967 91.0 54.4 -72.4 -40.0 34.0 -8.6 37.6 109 109 A V H > S+ 0 0 2 -4,-0.5 4,-2.8 -3,-0.3 3,-0.3 0.959 113.2 44.3 -51.8 -57.6 35.3 -10.9 40.4 110 110 A G H X S+ 0 0 29 -4,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.816 115.5 44.3 -50.4 -55.2 32.4 -13.2 39.6 111 111 A D H X S+ 0 0 93 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.824 114.8 48.3 -65.4 -38.5 32.6 -13.1 35.8 112 112 A K H X S+ 0 0 10 -4,-2.6 4,-2.3 -3,-0.3 -2,-0.2 0.914 110.9 53.4 -71.6 -34.1 36.4 -13.5 35.7 113 113 A S H X S+ 0 0 1 -4,-2.8 4,-1.5 -5,-0.4 -2,-0.2 0.810 108.9 47.3 -65.2 -40.1 36.0 -16.4 38.1 114 114 A K H < S+ 0 0 104 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.902 110.8 52.2 -73.5 -35.8 33.5 -18.1 35.9 115 115 A E H >< S+ 0 0 60 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.913 112.9 46.2 -54.7 -52.3 35.8 -17.6 32.9 116 116 A F H >< S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.764 101.7 62.9 -60.9 -37.5 38.6 -19.1 35.0 117 117 A S T 3< S+ 0 0 30 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.364 97.4 61.2 -75.9 3.4 36.6 -22.1 36.2 118 118 A R T < S+ 0 0 186 -3,-1.0 2,-0.3 -4,-0.2 -1,-0.3 -0.011 86.7 101.3-112.4 19.2 36.3 -23.2 32.5 119 119 A L S < S- 0 0 34 -3,-1.5 -3,-0.0 1,-0.1 -4,-0.0 -0.742 80.6-102.8-100.7 155.3 40.0 -23.6 32.1 120 120 A G > - 0 0 17 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.297 38.3-107.5 -62.0 169.1 42.0 -26.8 32.2 121 121 A K T 4 S+ 0 0 58 2,-0.2 4,-0.5 1,-0.2 -1,-0.1 0.853 124.0 46.0 -71.5 -27.8 43.9 -27.5 35.4 122 122 A E T >> S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 3,-1.0 0.961 112.7 49.0 -74.2 -46.6 47.1 -26.6 33.6 123 123 A E H 3> S+ 0 0 91 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.814 108.2 52.5 -64.6 -41.5 45.7 -23.5 31.9 124 124 A M H 3X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -1,-0.3 0.678 109.5 52.2 -60.3 -39.3 44.3 -22.1 35.2 125 125 A M H <> S+ 0 0 22 -3,-1.0 4,-1.5 -4,-0.5 -2,-0.2 0.845 106.9 50.2 -68.3 -36.0 47.8 -22.6 36.6 126 126 A A H X S+ 0 0 55 -4,-2.1 4,-1.7 1,-0.2 3,-0.4 0.957 108.5 56.3 -62.4 -43.6 49.4 -20.7 33.7 127 127 A E H X S+ 0 0 82 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.772 104.6 49.7 -64.1 -26.3 46.8 -18.0 34.5 128 128 A M H X>S+ 0 0 0 -4,-0.9 5,-2.1 -3,-0.2 4,-0.6 0.829 107.6 52.4 -85.2 -24.0 47.9 -17.6 38.2 129 129 A L H <5S+ 0 0 110 -4,-1.5 3,-0.3 -3,-0.4 -2,-0.2 0.847 106.5 59.1 -74.6 -26.6 51.5 -17.3 37.4 130 130 A Q H <5S+ 0 0 137 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.897 109.7 38.7 -60.3 -50.5 50.3 -14.6 35.0 131 131 A R H <5S- 0 0 97 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.477 113.1-112.7 -84.6 -6.6 48.7 -12.5 37.7 132 132 A G T <5 + 0 0 66 -4,-0.6 2,-0.2 -3,-0.3 -3,-0.2 0.709 66.1 150.7 79.6 21.2 51.5 -13.1 40.3 133 133 A F < - 0 0 19 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.569 48.6-115.3 -79.6 149.7 49.1 -15.1 42.5 134 134 A E + 0 0 162 -2,-0.2 2,-0.3 -3,-0.1 17,-0.1 -0.506 46.0 158.2 -81.6 146.6 50.5 -17.9 44.7 135 135 A Y - 0 0 87 -2,-0.2 2,-0.2 12,-0.0 -10,-0.0 -0.970 24.1-147.5-159.2 165.4 49.3 -21.5 43.8 136 136 A N - 0 0 97 -2,-0.3 8,-0.0 4,-0.1 0, 0.0 -0.724 22.2-134.7-129.4-178.0 50.3 -25.1 44.2 137 137 A E S S+ 0 0 163 -2,-0.2 -1,-0.1 1,-0.1 -12,-0.0 0.562 104.9 70.4-118.9 -2.8 49.9 -28.4 42.4 138 138 A S S S+ 0 0 97 2,-0.0 2,-0.4 -3,-0.0 -1,-0.1 0.278 88.6 99.9 -82.7 6.1 48.8 -30.2 45.5 139 139 A D S S- 0 0 21 4,-0.0 2,-0.1 3,-0.0 -4,-0.0 -0.870 70.7-140.3 -97.2 133.3 45.8 -28.0 44.7 140 140 A T > - 0 0 74 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.281 32.6-101.9 -80.5 165.0 42.7 -29.3 43.0 141 141 A K H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.946 124.0 53.6 -54.7 -49.3 40.8 -27.3 40.4 142 142 A T H > S+ 0 0 108 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.868 108.1 51.1 -56.4 -37.9 38.2 -26.3 42.9 143 143 A Q H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.916 109.2 49.9 -59.5 -51.5 40.9 -25.0 45.2 144 144 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.813 107.7 54.4 -59.7 -33.5 42.4 -23.0 42.4 145 145 A I H X S+ 0 0 39 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.986 113.7 41.5 -66.9 -44.9 39.0 -21.5 41.6 146 146 A A H X S+ 0 0 60 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.699 116.0 49.4 -73.5 -24.0 38.7 -20.4 45.2 147 147 A S H X S+ 0 0 34 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.940 111.7 48.8 -84.4 -32.3 42.3 -19.2 45.4 148 148 A F H X S+ 0 0 4 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.931 113.1 48.1 -63.9 -48.5 41.9 -17.3 42.1 149 149 A K H X S+ 0 0 59 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.909 113.7 46.0 -59.6 -44.9 38.7 -15.7 43.5 150 150 A K H X S+ 0 0 150 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.941 116.1 42.9 -67.0 -53.5 40.2 -14.7 46.8 151 151 A Q H X S+ 0 0 36 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.811 111.0 56.9 -64.7 -31.3 43.5 -13.3 45.5 152 152 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.3 5,-0.2 0.983 108.6 46.3 -63.0 -52.2 41.6 -11.5 42.7 153 153 A R H >X S+ 0 0 125 -4,-2.3 3,-1.2 1,-0.2 4,-0.7 0.950 115.1 48.5 -51.3 -50.3 39.5 -9.7 45.3 154 154 A K H >< S+ 0 0 167 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.856 108.6 52.5 -59.1 -40.7 42.6 -9.0 47.2 155 155 A S H 3< S+ 0 0 64 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.654 112.0 45.2 -70.1 -23.3 44.5 -7.6 44.2 156 156 A L H << 0 0 32 -3,-1.2 4,-1.8 -4,-1.2 -1,-0.2 0.404 360.0 360.0-106.8 3.4 41.8 -5.2 43.2 157 157 A K << 0 0 205 -4,-0.7 -3,-0.1 -3,-0.7 4,-0.1 0.301 360.0 360.0 -65.1 360.0 41.2 -3.9 46.7 158 !* 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 0.0 159 1 B M 0 0 79 0, 0.0 -55,-3.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.9 39.1 -0.3 43.8 160 2 B L B -e 104 0D 14 -4,-1.8 2,-1.1 -7,-0.2 -55,-0.2 -0.765 360.0-128.6 -59.8 118.6 36.9 -3.3 43.7 161 3 B L - 0 0 1 -57,-2.8 2,-0.5 -2,-0.5 -4,-0.0 -0.704 33.5-170.7 -77.1 100.4 33.7 -1.6 44.9 162 4 B T > - 0 0 79 -2,-1.1 3,-2.1 -57,-0.1 2,-0.4 -0.804 43.3 -71.1 -99.0 140.0 32.5 -3.8 47.8 163 5 B G T 3> S+ 0 0 59 -2,-0.5 4,-1.1 1,-0.3 5,-0.2 0.056 132.2 39.2 26.0 -91.5 29.2 -3.5 49.6 164 6 B K H >> S+ 0 0 177 -2,-0.4 4,-1.3 1,-0.2 3,-0.7 0.964 120.3 46.1 -41.7 -56.7 29.8 -0.2 51.4 165 7 B L H <> S+ 0 0 48 -3,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.756 104.9 61.3 -64.7 -27.7 31.6 1.4 48.5 166 8 B Y H 3> S+ 0 0 68 -4,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.803 104.1 47.4 -75.0 -29.3 29.1 0.3 45.9 167 9 B K H S+ 0 0 50 -4,-2.2 5,-2.6 -5,-0.3 6,-0.3 0.894 111.9 45.5 -52.0 -46.3 24.7 10.8 40.8 175 17 B D H ><5S+ 0 0 89 -4,-2.4 3,-1.6 -3,-0.2 -2,-0.2 0.947 112.3 49.4 -67.8 -44.5 26.2 13.9 42.3 176 18 B A H 3<5S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.693 110.6 51.2 -65.2 -27.7 28.8 14.4 39.6 177 19 B Q T ><5S- 0 0 15 -4,-2.0 3,-2.5 -5,-0.2 -1,-0.3 0.242 110.0-123.4 -94.5 17.3 26.1 14.0 36.9 178 20 B N T < 5S- 0 0 145 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.820 70.5 -58.7 38.8 46.6 23.9 16.6 38.6 179 21 B G T 3 - 0 0 0 5,-2.9 4,-2.1 -2,-0.3 5,-0.2 -0.827 21.9-140.1 -86.2 134.6 21.6 10.4 32.8 182 24 B L T 4 S+ 0 0 62 32,-0.7 -88,-0.2 -2,-0.5 -1,-0.1 0.335 96.9 41.3 -72.1 -1.7 24.6 10.9 30.5 183 25 B I T 4 S+ 0 0 0 3,-0.1 -93,-0.2 -90,-0.1 -1,-0.2 0.570 125.8 26.6-116.3 -29.5 22.9 9.3 27.5 184 26 B C T 4 S- 0 0 12 2,-0.2 -2,-0.2 -3,-0.2 -101,-0.1 0.749 87.6-135.4-102.8 -23.8 19.4 10.7 27.5 185 27 B Q < + 0 0 72 -4,-2.1 2,-0.3 1,-0.3 -3,-0.1 0.845 63.7 128.9 65.1 30.5 19.9 13.9 29.3 186 28 B R S S- 0 0 96 -5,-0.2 -5,-2.9 1,-0.0 -1,-0.3 -0.727 70.9 -83.7-110.0 152.6 16.8 13.1 31.4 187 29 B E B -G 180 0E 149 -2,-0.3 -7,-0.3 -7,-0.2 -8,-0.1 -0.489 41.0-126.6 -51.6 141.0 16.8 13.3 35.2 188 30 B L - 0 0 1 -9,-3.7 4,-0.1 -2,-0.1 -1,-0.1 -0.248 47.8 -76.1 -63.8 169.5 18.0 10.2 36.9 189 31 B N - 0 0 71 2,-0.2 6,-0.2 1,-0.2 5,-0.1 -0.613 33.9-134.7 -78.9 123.6 15.6 8.8 39.5 190 32 B P S S+ 0 0 92 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 0.711 99.7 79.8 -40.4 -39.1 15.7 10.9 42.7 191 33 B D S > S- 0 0 98 1,-0.2 3,-1.5 2,-0.0 4,-0.3 -0.781 79.3-162.3 -65.9 82.2 15.8 7.5 44.4 192 34 B V G > S+ 0 0 17 -2,-1.4 3,-2.1 1,-0.2 -1,-0.2 0.882 79.4 54.0 -42.4 -48.5 19.6 7.2 43.8 193 35 B Q G 3 S+ 0 0 53 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.673 94.4 68.9 -80.2 -2.7 19.9 3.4 44.3 194 36 B A G < S+ 0 0 37 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.571 87.8 86.7 -81.5 -8.8 17.2 2.6 41.8 195 37 B N S < S- 0 0 9 -3,-2.1 2,-0.6 -4,-0.3 21,-0.2 -0.204 86.2-103.3 -87.8 172.1 19.5 3.7 39.1 196 38 B H E -H 215 0F 40 19,-2.3 19,-2.0 -26,-0.1 2,-1.0 -0.927 12.9-141.2-106.7 119.2 22.1 1.6 37.4 197 39 B L E -H 214 0F 1 -2,-0.6 17,-0.2 17,-0.2 2,-0.1 -0.607 30.0-147.2 -73.3 99.6 25.8 1.7 38.0 198 40 B D E +H 213 0F 1 15,-2.5 14,-2.2 -2,-1.0 15,-0.8 -0.392 24.8 169.8 -71.1 138.0 27.1 1.2 34.5 199 41 B H E -H 211 0F 20 12,-0.3 12,-0.3 13,-0.2 2,-0.2 -0.962 39.9 -92.8-150.6 147.6 30.3 -0.7 34.0 200 42 B D - 0 0 14 10,-3.4 9,-0.9 -2,-0.3 -95,-0.1 -0.438 27.6-148.7 -65.8 136.7 32.2 -2.2 31.0 201 43 B H + 0 0 128 -2,-0.2 -1,-0.1 7,-0.1 7,-0.1 0.655 59.8 105.7 -84.7 -19.8 31.4 -5.8 30.3 202 44 B E - 0 0 97 5,-0.1 7,-0.8 1,-0.1 8,-0.1 -0.226 52.8-156.2 -50.7 163.4 34.8 -7.1 28.9 203 45 B L S S+ 0 0 34 5,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.620 70.6 61.6-112.1 -23.6 37.0 -9.3 31.0 204 46 B N S S+ 0 0 103 3,-0.0 3,-0.2 5,-0.0 -1,-0.1 -0.964 91.1 12.1-114.6 116.3 40.5 -8.8 29.5 205 47 B G S > S- 0 0 53 -2,-0.5 3,-1.0 1,-0.2 0, 0.0 -0.491 94.8 -45.9 123.5-172.5 42.2 -5.4 29.4 206 48 B P T 3 S+ 0 0 97 0, 0.0 -105,-0.4 0, 0.0 -1,-0.2 0.720 126.6 49.6 -79.6 -19.0 42.2 -1.8 30.8 207 49 B K T > S+ 0 0 64 -3,-0.2 3,-0.8 -107,-0.1 -7,-0.3 0.468 89.9 125.8 -92.6 -2.2 38.6 -1.0 30.3 208 50 B A T < S- 0 0 6 -3,-1.0 -5,-0.2 1,-0.2 -7,-0.1 -0.388 77.0 -6.8 -79.3 130.9 37.7 -4.2 32.0 209 51 B G T 3 S+ 0 0 2 -9,-0.9 -104,-3.3 -7,-0.8 2,-0.3 0.327 98.9 146.3 78.9 -6.1 35.4 -4.6 35.0 210 52 B K B < -F 104 0D 34 -3,-0.8 -10,-3.4 -106,-0.2 -1,-0.2 -0.504 51.5-123.9 -81.8 132.3 35.4 -0.8 35.1 211 53 B V E -H 199 0F 0 -108,-2.4 -12,-0.3 -2,-0.3 -109,-0.1 -0.299 22.6-176.5 -69.8 127.1 32.5 1.4 36.1 212 54 B R E - 0 0 22 -14,-2.2 2,-0.3 1,-0.4 -13,-0.2 0.790 50.9 -72.3-102.0 -32.8 31.5 4.0 33.5 213 55 B G E -H 198 0F 0 -15,-0.8 -15,-2.5 -17,-0.1 -1,-0.4 -0.960 52.9 -63.5 162.6-170.8 28.8 6.0 35.3 214 56 B L E +H 197 0F 0 -2,-0.3 -32,-0.7 -17,-0.2 2,-0.3 -0.945 52.5 174.7-111.6 128.7 25.2 6.0 36.6 215 57 B L E -H 196 0F 0 -19,-2.0 -19,-2.3 -2,-0.4 -34,-0.1 -0.951 35.2 -98.8-132.8 163.8 22.4 5.7 34.0 216 58 B C > - 0 0 19 -2,-0.3 4,-1.5 -21,-0.2 5,-0.2 -0.404 42.1-111.9 -77.5 158.1 18.6 5.3 33.8 217 59 B N H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.784 115.4 57.1 -65.9 -27.0 17.4 1.7 33.4 218 60 B L H > S+ 0 0 45 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.951 107.4 47.1 -64.1 -50.9 16.1 2.5 29.9 219 61 B C H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.803 112.6 48.8 -63.7 -30.6 19.6 3.6 28.7 220 62 B N H X S+ 0 0 34 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.849 112.9 48.3 -77.6 -35.6 21.3 0.6 30.2 221 63 B A H X S+ 0 0 48 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.976 115.4 45.0 -62.4 -50.2 18.8 -1.7 28.6 222 64 B A H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.930 115.0 46.5 -63.0 -45.2 19.2 0.1 25.3 223 65 B E H X S+ 0 0 9 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.889 113.2 47.6 -64.9 -46.3 23.1 0.2 25.4 224 66 B G H X S+ 0 0 24 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.858 110.6 52.2 -72.3 -29.3 23.5 -3.4 26.4 225 67 B Q H X S+ 0 0 83 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.964 110.0 50.0 -61.3 -51.8 21.1 -4.6 23.8 226 68 B M H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.937 109.4 49.6 -51.5 -60.2 23.1 -2.7 21.1 227 69 B K H X S+ 0 0 48 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.880 110.8 50.3 -50.8 -43.2 26.4 -4.1 22.2 228 70 B H H X S+ 0 0 78 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.932 110.3 48.8 -64.6 -43.4 25.1 -7.7 22.1 229 71 B K H < S+ 0 0 23 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.823 110.8 52.0 -64.9 -31.0 23.7 -7.2 18.6 230 72 B F H >X S+ 0 0 2 -4,-2.2 3,-1.1 -5,-0.2 6,-0.8 0.942 110.5 49.1 -65.2 -47.0 27.0 -5.7 17.6 231 73 B N H 3< S+ 0 0 64 -4,-2.5 6,-0.2 1,-0.3 -2,-0.2 0.714 113.1 45.2 -52.9 -46.7 28.7 -8.8 19.0 232 74 B R T 3< S+ 0 0 162 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.232 96.1 77.0 -84.9 -8.8 26.3 -11.3 17.2 233 75 B S T <4 S- 0 0 24 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.2 0.838 101.5-119.0 -71.0 -36.7 26.6 -9.5 13.9 234 76 B G S X S+ 0 0 28 -4,-0.6 4,-0.8 -3,-0.2 6,-0.2 0.106 89.8 106.8 109.7 -14.6 30.0 -10.8 12.9 235 77 B L T >4>S+ 0 0 0 -5,-0.4 5,-2.6 2,-0.2 3,-0.8 0.910 78.9 52.6 -62.5 -39.0 31.5 -7.3 12.8 236 78 B K G >45S+ 0 0 93 -6,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.954 111.9 45.6 -61.0 -44.6 33.4 -8.0 16.1 237 79 B G G 345S+ 0 0 72 1,-0.3 -1,-0.3 -6,-0.2 -2,-0.2 0.499 106.3 59.7 -77.2 -7.1 34.8 -11.2 14.5 238 80 B Q G <<5S- 0 0 114 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.198 123.0-104.9 -92.7 -7.3 35.7 -9.4 11.3 239 81 B G T < 5 + 0 0 66 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.539 69.7 147.8 90.5 12.5 37.9 -7.1 13.4 240 82 B V < - 0 0 21 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.673 46.0-130.8 -79.7 127.3 35.7 -3.9 13.4 241 83 B D > - 0 0 73 -2,-0.5 4,-3.2 1,-0.1 5,-0.2 -0.641 11.6-136.2 -77.5 126.9 36.0 -1.9 16.6 242 84 B Y H > S+ 0 0 21 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.726 102.7 48.7 -48.6 -44.4 32.6 -1.0 18.1 243 85 B L H > S+ 0 0 25 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.858 112.5 47.3 -71.2 -40.6 33.5 2.6 18.8 244 86 B E H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.948 116.2 47.6 -59.8 -46.5 35.0 3.1 15.4 245 87 B W H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.874 110.8 48.9 -61.5 -47.0 31.8 1.5 14.1 246 88 B L H X S+ 0 0 1 -4,-2.3 4,-3.7 2,-0.2 5,-0.3 0.983 113.4 47.1 -55.7 -58.0 29.4 3.5 16.2 247 89 B E H X S+ 0 0 92 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.906 114.2 48.0 -43.2 -56.4 31.1 6.8 15.2 248 90 B N H X S+ 0 0 44 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.3 0.841 113.4 48.3 -55.6 -39.2 31.0 5.6 11.6 249 91 B L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.900 109.1 52.1 -68.7 -45.1 27.4 4.7 12.1 250 92 B L H X S+ 0 0 13 -4,-3.7 4,-1.2 1,-0.2 -2,-0.2 0.953 109.6 49.6 -60.8 -40.0 26.5 8.0 13.7 251 93 B T H X S+ 0 0 76 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.873 113.8 45.9 -65.3 -35.3 28.0 10.0 10.8 252 94 B Y H >< S+ 0 0 5 -4,-1.2 3,-0.9 1,-0.2 -2,-0.2 0.939 111.6 50.8 -75.1 -44.9 26.1 7.9 8.3 253 95 B L H 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.642 111.2 48.8 -67.2 -19.0 22.8 8.1 10.1 254 96 B K H 3< S+ 0 0 95 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.496 87.3 118.5 -98.9 -10.4 23.1 12.0 10.4 255 97 B S S << S- 0 0 56 -3,-0.9 -3,-0.1 -4,-0.6 3,-0.1 -0.215 76.7-104.5 -42.2 152.5 24.0 12.4 6.6 256 98 B D + 0 0 107 1,-0.2 2,-1.8 2,-0.1 4,-0.1 0.842 58.7 145.2 -55.4 -70.7 21.7 14.5 4.3 257 99 B Y > + 0 0 7 1,-0.2 3,-1.8 -203,-0.1 -1,-0.2 0.323 39.0 109.9 41.1 1.6 19.8 11.8 2.2 258 100 B T T 3 S+ 0 0 46 -2,-1.8 -1,-0.2 1,-0.3 -205,-0.1 0.900 80.6 51.0 -71.0 -27.3 16.7 14.1 2.2 259 101 B Q T 3 S+ 0 0 123 -207,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.444 94.0 95.6 -64.3 -31.6 17.5 14.5 -1.5 260 102 B N S < S- 0 0 33 -3,-1.8 -206,-0.0 -207,-0.2 -208,-0.0 -0.275 83.3 -81.8 -67.9 177.6 17.8 10.8 -2.2 261 103 B N - 0 0 25 -209,-0.1 -208,-3.3 1,-0.1 2,-0.5 -0.137 39.9-105.8 -77.7 162.0 15.1 8.6 -3.7 262 104 B I B -aB 2 52A 24 -261,-1.8 -259,-3.4 -210,-0.3 -210,-0.3 -0.796 33.9-128.1 -86.5 127.8 12.2 7.0 -1.8 263 105 B H > - 0 0 7 -212,-3.5 3,-1.6 -2,-0.5 4,-0.3 -0.559 21.7-114.3 -72.5 145.5 12.6 3.2 -1.4 264 106 B P T >> S+ 0 0 41 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.776 106.9 75.9 -56.2 -22.1 9.7 1.0 -2.5 265 107 B N H 3> S+ 0 0 86 1,-0.2 4,-0.8 2,-0.1 5,-0.2 0.401 76.2 80.5 -73.5 9.8 9.0 -0.1 1.1 266 108 B F H <> S+ 0 0 21 -3,-1.6 4,-2.5 2,-0.2 3,-0.4 0.927 85.4 54.0 -84.8 -42.6 7.3 3.3 1.9 267 109 B V H <> S+ 0 0 5 -3,-0.8 4,-2.1 -4,-0.3 -2,-0.1 0.952 114.4 41.1 -49.8 -60.6 3.9 2.6 0.3 268 110 B G H X S+ 0 0 30 -4,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.603 116.5 45.7 -63.7 -26.9 3.4 -0.6 2.3 269 111 B D H X S+ 0 0 70 -4,-0.8 4,-2.2 -3,-0.4 -1,-0.2 0.798 113.0 51.1 -89.7 -26.7 4.8 0.6 5.7 270 112 B K H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.917 110.5 50.6 -71.4 -35.5 2.8 3.8 5.4 271 113 B S H X S+ 0 0 3 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.736 108.4 51.5 -74.0 -26.0 -0.2 1.7 4.7 272 114 B K H < S+ 0 0 134 -4,-0.5 4,-0.5 2,-0.2 -2,-0.2 0.872 109.1 49.7 -80.5 -29.7 0.6 -0.4 7.8 273 115 B E H >< S+ 0 0 53 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.920 112.0 50.4 -67.9 -40.8 0.8 2.7 10.0 274 116 B F H >< S+ 0 0 1 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.826 98.5 65.8 -68.1 -31.2 -2.5 3.8 8.5 275 117 B S T 3< S+ 0 0 20 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.610 90.7 64.4 -74.2 -6.7 -4.2 0.4 9.2 276 118 B R T < S+ 0 0 210 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.3 -0.066 86.2 103.2-101.6 32.5 -3.9 1.0 12.9 277 119 B L S < S- 0 0 59 -3,-1.1 2,-0.1 22,-0.0 5,-0.0 -0.840 77.7-109.9-112.4 150.0 -6.3 4.0 12.6 278 120 B G > - 0 0 32 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.405 39.0-102.8 -73.6 160.2 -10.0 4.1 13.5 279 121 B K H > S+ 0 0 122 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.900 123.3 42.1 -47.5 -55.1 -12.5 4.3 10.6 280 122 B E H > S+ 0 0 151 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 112.4 54.4 -65.3 -34.4 -13.1 8.0 11.1 281 123 B E H > S+ 0 0 122 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.790 104.9 54.5 -75.2 -22.0 -9.4 8.7 11.7 282 124 B M H X S+ 0 0 0 -4,-2.2 4,-2.2 -3,-0.2 -1,-0.3 0.862 107.2 51.2 -69.8 -39.1 -8.6 7.0 8.4 283 125 B M H X S+ 0 0 15 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.875 107.3 51.2 -74.4 -29.9 -11.0 9.3 6.7 284 126 B A H >X S+ 0 0 53 -4,-2.0 4,-2.8 2,-0.2 3,-0.8 0.982 109.0 53.7 -64.9 -47.4 -9.5 12.5 8.2 285 127 B E H 3X S+ 0 0 43 -4,-1.8 4,-2.0 1,-0.3 -2,-0.2 0.915 109.1 46.9 -49.5 -48.3 -6.2 11.1 6.9 286 128 B M H 3X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-1.0 0.743 110.2 54.2 -67.2 -31.3 -7.6 10.8 3.4 287 129 B L H <<5S+ 0 0 121 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.873 107.6 49.9 -68.1 -43.3 -9.1 14.3 3.7 288 130 B Q H <5S+ 0 0 163 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.1 0.921 109.5 51.1 -57.8 -51.1 -5.6 15.7 4.6 289 131 B R H <5S- 0 0 96 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.782 110.7-115.5 -57.6 -38.2 -3.9 14.0 1.6 290 132 B G T <5 + 0 0 71 -4,-1.0 -3,-0.2 -5,-0.2 -2,-0.1 0.563 68.3 148.7 103.0 23.3 -6.4 15.2 -1.0 291 133 B F < - 0 0 17 -5,-2.0 -4,-0.1 -6,-0.2 -5,-0.1 0.242 43.5-133.1 -82.6 -14.5 -7.2 11.6 -1.5 292 134 B E + 0 0 164 -6,-0.3 2,-0.3 1,-0.1 17,-0.1 0.744 37.2 149.8 63.6 126.9 -10.9 10.8 -2.5 293 135 B Y - 0 0 48 -6,-0.0 2,-0.4 13,-0.0 -1,-0.1 -0.980 37.7-114.9-173.7 176.2 -12.9 8.1 -0.7 294 136 B N > - 0 0 106 -2,-0.3 3,-2.4 1,-0.1 8,-0.1 -0.984 12.8-140.6-134.7 127.8 -16.4 7.0 0.3 295 137 B E T 3 S+ 0 0 139 -2,-0.4 -1,-0.1 1,-0.3 7,-0.1 0.880 98.3 72.6 -49.0 -54.9 -17.7 6.6 3.8 296 138 B S T 3 S+ 0 0 104 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 0.686 85.2 106.7 -33.8 -19.2 -19.7 3.4 3.0 297 139 B D < - 0 0 15 -3,-2.4 2,-0.2 1,-0.1 -4,-0.0 -0.296 65.1-139.4 -70.0 152.6 -16.1 2.1 3.0 298 140 B T > - 0 0 69 1,-0.1 4,-2.5 -2,-0.0 5,-0.3 -0.596 36.5 -93.1-102.5 168.6 -14.6 -0.1 5.7 299 141 B K H > S+ 0 0 116 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.924 129.7 56.0 -39.7 -47.5 -11.2 -0.1 7.4 300 142 B T H >> S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.945 108.1 40.9 -50.3 -68.9 -10.5 -2.6 4.6 301 143 B Q H 3> S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.849 113.5 54.3 -50.8 -47.1 -11.5 -0.6 1.6 302 144 B L H 3X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.811 104.4 53.3 -63.0 -36.0 -9.8 2.6 2.9 303 145 B I H < S+ 0 0 136 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.894 110.1 53.1 -57.1 -38.9 0.2 7.4 -7.5 313 155 B S H 3< S+ 0 0 68 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.828 110.1 46.1 -62.4 -42.0 1.1 10.5 -5.4 314 156 B L H 3< 0 0 38 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.472 360.0 360.0 -85.4 -11.0 4.8 9.5 -5.0 315 157 B K << 0 0 191 -4,-0.9 -313,-0.2 -3,-0.7 -2,-0.1 0.941 360.0 360.0 -63.0 360.0 5.3 8.6 -8.7