==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-NOV-97 11GS . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.OAKLEY,M.LO BELLO,A.P.MAZZETTI,G.FEDERICI,M.W.PARKER . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 0 0 2 2 0 1 3 0 0 0 2 0 0 0 0 0 0 0 2 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A P 0 0 122 0, 0.0 56,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-133.5 30.8 2.5 37.5 2 3 A Y E -aB 27 56A 24 24,-0.9 26,-2.6 54,-0.2 2,-0.4 -0.788 360.0-176.5-108.8 153.4 27.7 2.5 35.3 3 4 A T E -aB 28 55A 19 52,-1.7 52,-2.3 -2,-0.3 2,-0.5 -0.984 9.2-159.5-148.0 122.7 24.1 2.4 36.2 4 5 A V E -aB 29 54A 1 24,-2.7 26,-2.8 -2,-0.4 2,-0.6 -0.942 5.8-162.1-108.6 126.8 21.1 2.4 33.8 5 6 A V E +aB 30 53A 11 48,-3.0 48,-2.2 -2,-0.5 2,-0.3 -0.952 35.7 122.5-108.2 117.9 17.8 3.4 35.2 6 7 A Y E -a 31 0A 21 24,-2.1 26,-2.6 -2,-0.6 4,-0.0 -0.922 60.1 -78.6-160.7 178.2 14.9 2.3 33.0 7 8 A F - 0 0 55 -2,-0.3 2,-2.2 24,-0.2 26,-0.2 -0.376 59.5 -89.7 -80.8 168.4 11.6 0.4 32.9 8 9 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.384 97.4 91.0 -82.9 65.0 11.7 -3.5 32.7 9 10 A V S S- 0 0 13 -2,-2.2 193,-0.2 1,-0.2 4,-0.1 -0.950 77.2-126.0-147.4 159.0 11.7 -3.5 28.8 10 11 A R >> + 0 0 33 191,-2.2 3,-2.7 -2,-0.3 4,-1.0 0.986 68.3 120.8 -72.2 -60.7 14.5 -3.6 26.3 11 12 A G G >4 S- 0 0 13 191,-2.6 3,-1.1 1,-0.3 4,-0.4 0.059 87.1 -4.7 37.0-130.4 13.3 -0.6 24.3 12 13 A R G 34 S+ 0 0 57 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.355 134.7 56.6 -75.4 6.9 15.9 2.2 24.2 13 14 A C G <> S+ 0 0 0 -3,-2.7 4,-2.1 -4,-0.1 -1,-0.2 0.618 80.3 87.5-110.0 -15.2 18.3 0.5 26.5 14 15 A A H S+ 0 0 4 -4,-0.4 4,-2.5 1,-0.2 3,-0.3 0.968 113.1 47.2 -59.4 -56.5 21.6 -1.4 22.3 16 17 A L H > S+ 0 0 1 -4,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.762 112.0 53.0 -59.5 -27.7 23.6 0.3 25.1 17 18 A R H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -1,-0.3 0.912 107.1 51.0 -72.4 -42.1 23.3 -2.8 27.2 18 19 A M H X S+ 0 0 0 -4,-2.3 4,-3.2 -3,-0.3 5,-0.2 0.941 110.7 50.9 -58.5 -44.6 24.6 -4.9 24.3 19 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 6,-0.2 0.948 110.8 45.6 -56.9 -59.0 27.5 -2.5 24.1 20 21 A L H <>S+ 0 0 0 -4,-2.2 5,-3.2 2,-0.2 4,-0.2 0.931 116.2 46.5 -51.6 -51.4 28.5 -2.7 27.8 21 22 A A H ><5S+ 0 0 15 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.957 114.0 46.9 -57.0 -54.3 28.2 -6.5 27.8 22 23 A D H 3<5S+ 0 0 14 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.828 111.0 53.2 -59.0 -34.1 30.1 -6.9 24.6 23 24 A Q T 3<5S- 0 0 57 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.397 116.6-114.3 -84.6 5.5 32.8 -4.5 25.9 24 25 A G T < 5 + 0 0 48 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.752 65.6 151.7 69.8 24.0 33.1 -6.5 29.1 25 26 A Q < - 0 0 67 -5,-3.2 2,-0.4 -6,-0.2 -1,-0.2 -0.581 39.0-135.9 -89.3 152.6 31.8 -3.6 31.1 26 27 A S + 0 0 95 -2,-0.2 -24,-0.9 -23,-0.0 2,-0.3 -0.875 27.6 170.3-108.5 140.9 29.9 -3.9 34.4 27 28 A W E -a 2 0A 46 -2,-0.4 2,-0.4 -26,-0.1 -24,-0.2 -0.990 29.5-124.4-150.0 156.5 26.7 -2.0 35.3 28 29 A K E -a 3 0A 103 -26,-2.6 -24,-2.7 -2,-0.3 2,-0.6 -0.799 21.8-141.5-101.1 140.3 23.9 -1.8 37.8 29 30 A E E -a 4 0A 49 -2,-0.4 2,-0.8 -26,-0.2 -24,-0.2 -0.903 9.7-166.4-107.1 114.0 20.3 -2.0 36.7 30 31 A E E -a 5 0A 88 -26,-2.8 -24,-2.1 -2,-0.6 2,-0.4 -0.887 16.8-153.4 -98.7 104.8 17.8 0.3 38.5 31 32 A V E -a 6 0A 92 -2,-0.8 2,-0.5 -26,-0.2 -24,-0.2 -0.709 6.5-161.2 -84.5 128.9 14.4 -1.0 37.5 32 33 A V - 0 0 10 -26,-2.6 2,-0.2 -2,-0.4 -2,-0.0 -0.934 7.4-152.1-112.5 126.7 11.6 1.5 37.5 33 34 A T > - 0 0 50 -2,-0.5 4,-2.4 -26,-0.2 5,-0.2 -0.660 29.8-108.3 -95.9 162.5 8.0 0.2 37.7 34 35 A V H > S+ 0 0 77 1,-0.2 4,-2.9 -2,-0.2 5,-0.1 0.852 121.3 52.5 -55.4 -35.9 4.8 1.8 36.3 35 36 A E H > S+ 0 0 133 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.953 108.6 48.1 -65.6 -50.0 3.8 2.5 39.9 36 37 A T H 4 S+ 0 0 68 1,-0.2 6,-0.5 2,-0.2 3,-0.5 0.859 115.7 46.2 -59.2 -36.2 7.1 4.2 40.8 37 38 A W H >< S+ 0 0 39 -4,-2.4 3,-2.5 1,-0.2 6,-0.3 0.944 106.7 55.6 -73.5 -46.9 6.9 6.3 37.6 38 39 A Q H 3< S+ 0 0 149 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.522 92.3 74.6 -66.2 -2.2 3.2 7.3 38.1 39 40 A E T 3< S- 0 0 128 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.686 95.9-142.4 -80.4 -20.7 4.2 8.6 41.5 40 41 A G S <> S+ 0 0 31 -3,-2.5 4,-2.4 -4,-0.2 5,-0.2 0.018 71.0 104.2 86.1 -26.9 5.8 11.5 39.6 41 42 A S H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -4,-0.1 0.915 87.1 36.7 -53.6 -55.4 8.9 12.0 41.8 42 43 A L H > S+ 0 0 38 -6,-0.5 4,-0.8 1,-0.2 3,-0.4 0.916 113.8 58.3 -67.5 -39.9 11.5 10.4 39.5 43 44 A K H >4 S+ 0 0 88 -6,-0.3 3,-1.0 1,-0.2 6,-0.2 0.898 105.7 49.8 -55.9 -44.1 9.8 11.8 36.4 44 45 A A H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 106.8 54.7 -65.4 -34.0 10.2 15.4 37.8 45 46 A S H 3< S+ 0 0 67 -4,-1.2 2,-0.4 -3,-0.4 -1,-0.2 0.567 89.3 96.1 -77.1 -10.5 13.9 14.9 38.5 46 47 A C S X< S- 0 0 7 -3,-1.0 3,-2.4 -4,-0.8 5,-0.1 -0.724 79.8-130.0 -84.4 131.7 14.5 13.8 34.9 47 48 A L T 3 S+ 0 0 25 -2,-0.4 -1,-0.1 1,-0.3 292,-0.1 0.812 109.0 20.0 -45.0 -49.4 15.8 16.5 32.6 48 49 A Y T 3 S- 0 0 39 2,-0.3 -1,-0.3 288,-0.1 3,-0.1 -0.011 114.6-106.6-111.5 25.9 13.2 15.8 29.9 49 50 A G S < S+ 0 0 13 -3,-2.4 2,-0.3 -6,-0.2 -2,-0.1 0.770 88.4 98.3 55.1 28.7 10.8 13.9 32.2 50 51 A Q - 0 0 116 2,-0.1 -2,-0.3 -8,-0.1 -1,-0.2 -0.948 61.3 -95.4-144.6 162.5 11.8 10.6 30.7 51 52 A L S S+ 0 0 20 -2,-0.3 2,-0.2 -3,-0.1 -45,-0.1 -0.698 73.5 80.1-110.9 166.6 14.0 7.5 31.0 52 53 A P - 0 0 5 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.468 59.1-177.7 -66.9 152.5 16.5 6.0 30.3 53 54 A K E -BC 5 62A 33 -48,-2.2 -48,-3.0 9,-0.2 2,-0.3 -0.917 6.9-162.5-117.9 144.8 18.6 7.8 32.9 54 55 A F E -BC 4 61A 0 7,-2.6 7,-2.9 -2,-0.4 2,-0.4 -0.981 9.7-161.2-134.9 145.7 22.3 6.9 33.1 55 56 A Q E +BC 3 60A 60 -52,-2.3 -52,-1.7 -2,-0.3 2,-0.4 -0.992 12.4 174.2-131.1 131.2 25.0 7.4 35.7 56 57 A D E > S-BC 2 59A 44 3,-2.3 3,-1.7 -2,-0.4 2,-0.2 -0.840 77.1 -52.0-131.3 91.5 28.7 7.2 35.1 57 58 A G T 3 S- 0 0 55 -56,-1.5 -1,-0.1 -2,-0.4 -54,-0.0 -0.588 121.6 -24.1 73.0-135.1 30.3 8.2 38.4 58 59 A D T 3 S+ 0 0 151 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.307 114.5 108.7 -91.6 9.1 28.6 11.5 39.3 59 60 A L E < -C 56 0A 17 -3,-1.7 -3,-2.3 2,-0.0 2,-0.5 -0.788 53.8-164.5 -89.1 114.3 27.8 12.2 35.6 60 61 A T E -C 55 0A 48 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.899 10.8-176.0-101.8 128.7 24.1 11.9 35.1 61 62 A L E -C 54 0A 0 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.3 -0.894 13.2-168.2-124.6 156.6 22.9 11.5 31.5 62 63 A Y E +C 53 0A 27 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.840 52.5 61.6-133.9 165.6 19.6 11.3 29.7 63 64 A Q S >> S- 0 0 26 -11,-0.8 4,-1.9 -2,-0.3 3,-1.5 0.823 72.3-122.4 79.3 110.3 18.7 10.4 26.1 64 65 A S H 3> S+ 0 0 6 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.841 111.7 51.5 -49.3 -43.0 19.7 6.9 24.9 65 66 A N H 3> S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.753 106.0 55.1 -70.0 -24.4 21.8 8.2 22.0 66 67 A T H <> S+ 0 0 0 -3,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.887 110.4 46.6 -72.7 -38.5 23.7 10.5 24.4 67 68 A I H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.970 113.5 48.7 -65.4 -48.8 24.5 7.4 26.4 68 69 A L H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.939 115.0 43.8 -55.1 -51.4 25.5 5.5 23.3 69 70 A R H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.930 112.9 52.6 -62.4 -44.0 27.7 8.4 22.1 70 71 A H H X S+ 0 0 5 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.931 112.5 43.9 -56.3 -50.0 29.2 8.8 25.6 71 72 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 6,-0.2 0.898 114.0 51.9 -63.0 -39.4 30.1 5.1 25.9 72 73 A G H X>S+ 0 0 0 -4,-2.6 5,-2.8 -5,-0.3 4,-0.7 0.865 111.9 46.2 -66.6 -34.1 31.4 5.1 22.3 73 74 A R H <5S+ 0 0 47 -4,-2.6 3,-0.5 3,-0.2 -2,-0.2 0.967 118.8 39.3 -72.9 -50.0 33.6 8.1 23.1 74 75 A T H <5S+ 0 0 43 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.687 121.9 42.3 -74.5 -24.0 35.0 6.8 26.3 75 76 A L H <5S- 0 0 44 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.443 112.7-110.6-101.3 -3.5 35.3 3.2 25.2 76 77 A G T <5S+ 0 0 44 -4,-0.7 -3,-0.2 -3,-0.5 3,-0.2 0.875 78.8 126.2 77.1 39.1 36.7 3.9 21.8 77 78 A L < + 0 0 8 -5,-2.8 72,-2.2 -6,-0.2 73,-0.3 -0.249 46.6 91.4-117.7 41.5 33.8 2.8 19.7 78 79 A Y S S- 0 0 22 1,-0.4 -1,-0.1 -6,-0.4 10,-0.1 -0.068 96.7 -83.4-127.4 32.3 33.5 6.1 17.7 79 80 A G - 0 0 20 68,-0.3 -1,-0.4 -3,-0.2 3,-0.1 -0.025 41.4 -89.6 87.2 163.4 35.6 5.5 14.6 80 81 A K S S+ 0 0 127 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.642 101.8 1.1 -88.8 -15.0 39.3 5.9 14.0 81 82 A D S > S- 0 0 67 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.936 88.7 -79.7-156.5-178.4 39.1 9.6 13.0 82 83 A Q H > S+ 0 0 93 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.849 124.2 55.2 -59.6 -37.1 36.8 12.5 12.5 83 84 A Q H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.979 111.2 42.0 -60.6 -56.0 35.7 11.2 9.2 84 85 A E H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.886 110.1 60.3 -59.3 -38.1 34.6 7.8 10.5 85 86 A A H X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.897 105.7 46.7 -56.4 -42.9 33.1 9.6 13.5 86 87 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 -3,-0.5 -1,-0.2 0.916 111.9 50.4 -66.1 -42.9 30.8 11.5 11.1 87 88 A L H X S+ 0 0 43 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.908 108.5 53.2 -63.0 -36.9 29.9 8.3 9.3 88 89 A V H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.915 110.0 47.3 -63.9 -42.5 29.1 6.6 12.6 89 90 A D H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.943 108.4 55.8 -63.1 -47.2 26.7 9.5 13.5 90 91 A M H X S+ 0 0 9 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.872 110.8 44.2 -53.8 -42.5 25.1 9.3 10.1 91 92 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.952 114.1 49.1 -68.8 -49.3 24.4 5.6 10.6 92 93 A N H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.898 108.9 52.9 -58.5 -41.9 23.1 6.1 14.1 93 94 A D H X S+ 0 0 12 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.881 109.4 49.3 -60.5 -39.5 20.9 9.0 13.0 94 95 A G H X S+ 0 0 3 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.910 110.3 50.5 -66.2 -39.9 19.3 6.8 10.4 95 96 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.954 110.3 51.0 -61.4 -46.7 18.8 4.0 13.0 96 97 A E H X S+ 0 0 26 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.911 107.6 52.4 -57.1 -46.1 17.1 6.7 15.2 97 98 A D H X S+ 0 0 53 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.910 113.8 42.9 -57.2 -46.5 14.8 7.8 12.4 98 99 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.860 110.7 55.9 -71.3 -32.5 13.7 4.2 11.8 99 100 A R H X S+ 0 0 9 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.865 104.7 53.7 -66.8 -34.8 13.4 3.5 15.5 100 101 A C H X S+ 0 0 53 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.892 110.0 46.3 -65.8 -40.6 11.0 6.5 15.9 101 102 A K H X S+ 0 0 98 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.919 114.0 49.4 -67.0 -42.2 8.8 5.1 13.2 102 103 A Y H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.962 112.5 46.8 -59.4 -52.9 9.0 1.7 14.8 103 104 A I H X S+ 0 0 47 -4,-3.2 4,-2.4 1,-0.2 5,-0.4 0.943 110.2 53.9 -56.1 -46.3 8.1 3.1 18.2 104 105 A S H X>S+ 0 0 53 -4,-2.7 4,-3.2 2,-0.2 5,-0.8 0.906 110.8 46.0 -56.1 -46.1 5.3 5.1 16.7 105 106 A L H X5S+ 0 0 7 -4,-2.5 4,-1.2 3,-0.2 -2,-0.2 0.992 111.7 50.8 -59.7 -58.8 3.8 1.9 15.1 106 107 A I H <5S+ 0 0 1 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.792 127.8 21.9 -47.5 -40.8 4.1 -0.1 18.3 107 108 A Y H <5S+ 0 0 113 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.707 128.4 41.2-105.5 -22.7 2.4 2.5 20.5 108 109 A T H <5S- 0 0 102 -4,-3.2 -3,-0.2 -5,-0.4 -2,-0.1 0.888 132.2 -12.2 -96.8 -43.9 0.3 4.7 18.0 109 110 A N X< + 0 0 69 -4,-1.2 4,-2.2 -5,-0.8 5,-0.2 -0.283 64.8 155.3-161.8 70.1 -1.3 2.3 15.6 110 111 A Y H > S+ 0 0 34 -4,-0.3 4,-1.6 -5,-0.2 -4,-0.1 0.950 80.3 42.9 -61.9 -53.2 0.0 -1.2 15.5 111 112 A E H 4 S+ 0 0 129 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.902 121.1 38.6 -62.6 -47.6 -3.1 -2.9 14.1 112 113 A A H 4 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.1 3,-0.2 0.898 124.4 35.7 -73.6 -41.0 -3.9 -0.4 11.4 113 114 A G H X S+ 0 0 10 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.570 86.4 92.9 -95.4 -5.1 -0.4 0.5 10.3 114 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4,-2.7 1,-0.1 -1,-0.2 -0.694 57.4 174.8-130.6 82.0 19.5 -8.3 2.5 173 174 A P H > S+ 0 0 83 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.842 82.3 51.5 -52.8 -43.6 22.4 -10.8 2.6 174 175 A L H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.964 112.9 45.4 -63.8 -45.2 25.0 -8.4 4.1 175 176 A L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.925 113.3 50.5 -62.4 -47.0 22.6 -7.4 6.9 176 177 A S H X S+ 0 0 44 -4,-2.7 4,-2.4 -7,-0.4 -1,-0.2 0.948 114.0 43.0 -55.6 -53.4 21.7 -11.0 7.6 177 178 A A H X S+ 0 0 49 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.887 112.7 55.7 -61.9 -36.0 25.3 -12.1 7.8 178 179 A Y H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 5,-0.3 0.948 107.8 47.6 -61.2 -50.9 26.0 -9.0 9.8 179 180 A V H X S+ 0 0 20 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.955 115.3 45.1 -57.0 -50.0 23.4 -9.9 12.4 180 181 A G H X S+ 0 0 41 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.956 114.2 49.0 -59.1 -49.5 24.6 -13.4 12.7 181 182 A R H >< S+ 0 0 77 -4,-3.2 3,-0.7 1,-0.2 4,-0.5 0.939 116.1 41.0 -56.0 -54.6 28.3 -12.4 12.9 182 183 A L H >< S+ 0 0 2 -4,-3.0 3,-1.7 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0.756 65.5 151.5 71.1 24.1 33.5 32.8 9.9 234 26 B Q < - 0 0 66 -5,-3.2 2,-0.4 -6,-0.2 -1,-0.2 -0.586 39.1-135.8 -89.7 152.3 33.2 29.8 7.6 235 27 B S + 0 0 95 -2,-0.2 -24,-0.9 -23,-0.0 2,-0.3 -0.873 27.6 170.3-107.8 141.2 32.5 30.0 3.9 236 28 B W E -d 211 0B 47 -2,-0.4 2,-0.4 -26,-0.1 -24,-0.2 -0.991 29.6-124.2-149.9 157.0 30.0 27.6 2.1 237 29 B K E -d 212 0B 104 -26,-2.6 -24,-2.7 -2,-0.3 2,-0.6 -0.795 21.8-141.3-101.6 140.1 28.2 27.1 -1.1 238 30 B E E -d 213 0B 50 -2,-0.4 2,-0.8 -26,-0.2 -24,-0.2 -0.906 9.9-166.5-106.6 113.7 24.5 26.7 -1.3 239 31 B E E -d 214 0B 90 -26,-2.9 -24,-2.1 -2,-0.6 2,-0.4 -0.887 16.8-153.8 -98.6 104.3 23.1 24.2 -3.7 240 32 B V E -d 215 0B 90 -2,-0.8 2,-0.5 -26,-0.2 -24,-0.2 -0.701 6.4-161.3 -83.8 129.3 19.4 25.0 -3.9 241 33 B V - 0 0 9 -26,-2.5 2,-0.2 -2,-0.4 -2,-0.0 -0.939 7.4-151.5-113.6 126.8 17.0 22.1 -4.8 242 34 B T > - 0 0 50 -2,-0.5 4,-2.4 -26,-0.2 5,-0.2 -0.651 29.7-108.3 -95.3 162.3 13.6 22.9 -6.1 243 35 B V H > S+ 0 0 78 1,-0.2 4,-2.9 -2,-0.2 5,-0.1 0.855 121.3 52.3 -54.9 -36.4 10.4 20.8 -5.8 244 36 B E H > S+ 0 0 131 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.953 108.6 48.2 -65.4 -50.1 10.7 20.1 -9.5 245 37 B T H 4 S+ 0 0 67 1,-0.2 6,-0.5 2,-0.2 3,-0.5 0.861 115.7 46.1 -59.2 -36.0 14.3 18.9 -9.3 246 38 B W H >< S+ 0 0 39 -4,-2.4 3,-2.5 1,-0.2 6,-0.3 0.945 106.8 55.5 -73.6 -47.1 13.4 16.7 -6.3 247 39 B Q H 3< S+ 0 0 152 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.518 92.2 74.7 -66.0 -2.8 10.2 15.2 -7.9 248 40 B E T 3< S- 0 0 129 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.685 95.9-142.3 -79.9 -20.9 12.4 14.1 -10.8 249 41 B G S <> S+ 0 0 31 -3,-2.5 4,-2.4 -4,-0.2 5,-0.2 0.014 71.1 104.2 86.5 -27.0 13.8 11.4 -8.4 250 42 B S H > S+ 0 0 58 1,-0.2 4,-1.2 2,-0.2 -4,-0.1 0.912 87.1 36.6 -53.6 -55.3 17.4 11.4 -9.5 251 43 B L H > S+ 0 0 38 -6,-0.5 4,-0.8 1,-0.2 3,-0.4 0.915 113.9 58.4 -67.6 -40.0 18.9 13.3 -6.6 252 44 B K H >4 S+ 0 0 89 -6,-0.3 3,-1.0 1,-0.3 6,-0.2 0.896 105.7 49.8 -55.6 -44.4 16.5 11.6 -4.1 253 45 B A H 3< S+ 0 0 88 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.826 106.8 54.6 -65.6 -33.9 17.8 8.2 -5.2 254 46 B S H 3< S+ 0 0 67 -4,-1.2 2,-0.5 -3,-0.4 -1,-0.2 0.574 89.2 96.2 -77.3 -10.6 21.4 9.2 -4.7 255 47 B C S X< S- 0 0 6 -3,-1.0 3,-2.4 -4,-0.8 5,-0.1 -0.725 79.8-130.0 -84.1 132.2 20.7 10.3 -1.2 256 48 B L T 3 S+ 0 0 27 -2,-0.5 -1,-0.1 1,-0.3 -126,-0.1 0.810 109.2 20.0 -45.4 -50.3 21.6 7.7 1.5 257 49 B Y T 3 S- 0 0 39 2,-0.3 -1,-0.3 -130,-0.1 3,-0.1 -0.004 114.7-106.7-110.6 26.9 18.2 8.0 3.2 258 50 B G S < S+ 0 0 13 -3,-2.4 2,-0.3 -6,-0.2 -2,-0.1 0.776 88.4 98.6 54.3 29.2 16.4 9.5 0.2 259 51 B Q - 0 0 115 2,-0.1 -2,-0.3 -8,-0.1 -1,-0.2 -0.953 61.5 -96.0-144.6 162.5 16.4 12.9 1.9 260 52 B L S S+ 0 0 19 -2,-0.3 2,-0.2 -3,-0.1 -45,-0.1 -0.699 73.4 80.8-110.9 166.7 18.1 16.3 2.3 261 53 B P - 0 0 5 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.461 59.1-177.8 -66.3 152.3 20.0 18.1 3.7 262 54 B K E -EF 214 271B 34 -48,-2.2 -48,-3.0 9,-0.2 2,-0.3 -0.916 6.8-162.5-118.1 144.8 23.0 16.7 2.0 263 55 B F E -EF 213 270B 0 7,-2.7 7,-2.9 -2,-0.4 2,-0.4 -0.981 9.7-161.4-135.8 145.6 26.4 18.1 2.9 264 56 B Q E +EF 212 269B 62 -52,-2.2 -52,-1.7 -2,-0.3 2,-0.4 -0.991 12.3 174.1-131.6 130.9 29.9 18.1 1.4 265 57 B D E > S-EF 211 268B 44 3,-2.3 3,-1.7 -2,-0.4 2,-0.2 -0.839 77.0 -52.0-131.5 91.3 33.2 18.8 3.1 266 58 B G T 3 S- 0 0 55 -56,-1.5 -1,-0.1 -2,-0.4 -54,-0.0 -0.583 121.6 -24.1 73.2-135.3 35.8 18.1 0.5 267 59 B D T 3 S+ 0 0 149 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.308 114.6 108.6 -91.3 8.7 35.0 14.6 -0.8 268 60 B L E < -F 265 0B 20 -3,-1.7 -3,-2.3 2,-0.0 2,-0.5 -0.788 53.9-164.4 -88.2 114.5 33.2 13.7 2.4 269 61 B T E -F 264 0B 50 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.902 10.8-175.8-102.0 129.9 29.5 13.5 1.7 270 62 B L E -F 263 0B 0 -7,-2.9 -7,-2.7 -2,-0.5 2,-0.3 -0.893 13.1-168.2-125.5 156.8 27.2 13.6 4.7 271 63 B Y E +F 262 0B 23 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.836 52.4 61.4-134.4 165.7 23.5 13.3 5.3 272 64 B Q S >> S- 0 0 26 -11,-0.7 4,-1.9 -2,-0.3 3,-1.4 0.819 72.4-122.3 78.4 110.0 21.4 14.0 8.5 273 65 B S H 3> S+ 0 0 5 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.846 111.8 51.6 -48.4 -43.2 21.4 17.5 9.9 274 66 B N H 3> S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.761 105.9 55.1 -69.8 -24.4 22.7 16.4 13.3 275 67 B T H <> S+ 0 0 0 -3,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.887 110.4 46.4 -72.9 -37.9 25.5 14.5 11.7 276 68 B I H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.970 113.6 48.8 -66.7 -48.2 26.5 17.8 9.9 277 69 B L H X S+ 0 0 4 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.938 115.1 43.8 -55.2 -51.4 26.1 19.7 13.2 278 70 B R H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.928 113.0 52.5 -62.4 -43.8 28.2 17.1 15.1 279 71 B H H X S+ 0 0 6 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.929 112.4 43.9 -56.5 -50.1 30.8 17.0 12.3 280 72 B L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 6,-0.2 0.900 114.0 51.8 -63.0 -40.0 31.2 20.8 12.2 281 73 B G H X>S+ 0 0 0 -4,-2.6 5,-2.7 -5,-0.3 4,-0.7 0.866 111.9 46.2 -65.9 -35.2 31.3 20.9 16.0 282 74 B R H ><5S+ 0 0 46 -4,-2.6 3,-0.5 3,-0.2 -2,-0.2 0.968 118.8 39.1 -72.0 -50.3 34.0 18.2 16.1 283 75 B T H 3<5S+ 0 0 44 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.692 122.0 42.5 -74.2 -23.7 36.2 19.8 13.4 284 76 B L H 3<5S- 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.438 112.7-110.6-101.6 -3.7 35.7 23.4 14.5 285 77 B G T <<5S+ 0 0 45 -4,-0.7 -3,-0.2 -3,-0.5 3,-0.2 0.875 78.8 126.0 77.8 38.4 36.0 22.8 18.2 286 78 B L < + 0 0 8 -5,-2.7 72,-2.2 -6,-0.2 73,-0.3 -0.256 46.6 91.4-117.5 42.2 32.4 23.5 19.2 287 79 B Y S S- 0 0 21 1,-0.4 -1,-0.1 -6,-0.4 10,-0.1 -0.061 96.7 -83.5-127.9 33.1 31.9 20.1 21.1 288 80 B G - 0 0 20 68,-0.3 -1,-0.4 -3,-0.2 3,-0.1 -0.025 41.4 -89.8 86.5 163.7 32.8 20.8 24.7 289 81 B K S S+ 0 0 128 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.639 101.8 1.7 -89.2 -14.8 36.2 21.0 26.4 290 82 B D S > S- 0 0 68 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.938 88.7 -80.0-156.6-178.6 36.2 17.3 27.4 291 83 B Q H > S+ 0 0 94 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.847 124.2 55.2 -60.1 -36.6 34.3 14.0 27.2 292 84 B Q H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.979 111.2 41.8 -61.2 -55.7 32.0 15.1 30.0 293 85 B E H > S+ 0 0 13 1,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.892 110.1 60.5 -59.7 -38.1 30.9 18.3 28.3 294 86 B A H X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.895 105.7 46.9 -56.2 -42.3 30.7 16.4 25.0 295 87 B A H X S+ 0 0 0 -4,-2.0 4,-2.7 -3,-0.5 -1,-0.2 0.914 111.7 50.5 -66.7 -42.1 28.1 14.2 26.6 296 88 B L H X S+ 0 0 43 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.905 108.3 53.3 -63.9 -36.4 26.2 17.2 28.0 297 89 B V H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.913 109.9 47.3 -64.0 -42.6 26.3 18.8 24.5 298 90 B D H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.940 108.4 55.7 -63.4 -47.0 24.7 15.6 23.0 299 91 B M H X S+ 0 0 8 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.873 110.9 44.2 -53.9 -43.1 22.1 15.6 25.7 300 92 B V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.955 114.1 49.2 -68.0 -49.3 21.1 19.1 24.9 301 93 B N H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.900 109.0 52.7 -58.4 -41.4 21.1 18.5 21.1 302 94 B D H X S+ 0 0 12 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.880 109.4 49.5 -61.5 -39.4 19.0 15.3 21.5 303 95 B G H X S+ 0 0 2 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.905 110.2 50.3 -66.2 -40.2 16.4 17.2 23.5 304 96 B V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.953 110.3 51.1 -61.2 -45.3 16.4 19.9 20.8 305 97 B E H X S+ 0 0 25 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.913 107.5 52.4 -59.3 -44.4 15.9 17.1 18.2 306 98 B D H X S+ 0 0 53 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.908 113.6 43.0 -58.0 -47.1 13.0 15.6 20.1 307 99 B L H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.859 110.7 55.8 -69.9 -33.4 11.2 19.0 20.3 308 100 B R H X S+ 0 0 10 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.866 104.7 53.7 -66.5 -34.9 12.0 19.8 16.7 309 101 B C H X S+ 0 0 51 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.891 110.0 46.4 -65.4 -40.6 10.4 16.5 15.6 310 102 B K H X S+ 0 0 101 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.917 114.0 49.0 -66.8 -42.1 7.2 17.5 17.4 311 103 B Y H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.961 112.6 47.2 -60.3 -52.1 7.4 20.9 15.9 312 104 B I H X S+ 0 0 45 -4,-3.3 4,-2.4 1,-0.2 5,-0.4 0.943 110.2 53.6 -56.3 -46.7 7.9 19.5 12.4 313 105 B S H X>S+ 0 0 54 -4,-2.7 4,-3.3 2,-0.2 5,-0.8 0.906 110.9 46.2 -55.7 -45.9 5.0 17.1 13.0 314 106 B L H X5S+ 0 0 7 -4,-2.5 4,-1.3 3,-0.2 -2,-0.2 0.991 111.6 50.7 -59.8 -58.3 2.7 19.9 13.9 315 107 B I H <5S+ 0 0 0 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.792 127.7 22.0 -48.3 -40.1 3.7 22.1 11.0 316 108 B Y H <5S+ 0 0 112 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.713 128.4 41.2-106.2 -22.2 3.2 19.3 8.5 317 109 B T H <5S- 0 0 104 -4,-3.3 -3,-0.2 -5,-0.4 -2,-0.1 0.886 132.1 -12.0 -97.1 -43.6 0.8 16.9 10.1 318 110 B N X< + 0 0 68 -4,-1.3 4,-2.2 -5,-0.8 5,-0.2 -0.276 64.7 155.6-162.1 69.9 -1.9 18.9 11.9 319 111 B Y H > S+ 0 0 35 -4,-0.3 4,-1.6 -5,-0.2 -4,-0.1 0.950 80.3 42.7 -61.2 -53.9 -1.2 22.6 12.3 320 112 B E H 4 S+ 0 0 127 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.900 121.0 38.9 -62.9 -47.1 -4.8 23.8 12.6 321 113 B A H 4 S+ 0 0 77 1,-0.2 4,-0.4 2,-0.1 3,-0.2 0.899 124.4 35.5 -73.9 -41.0 -6.0 21.0 14.9 322 114 B G H X S+ 0 0 11 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.560 86.5 92.9 -95.4 -4.8 -3.0 20.7 17.2 323 115 B K H X S+ 0 0 46 -4,-1.6 4,-2.9 -5,-0.2 5,-0.3 0.910 88.8 48.9 -55.0 -46.2 -1.6 24.2 17.5 324 116 B D H > S+ 0 0 112 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.952 114.3 44.1 -59.2 -50.9 -3.5 25.0 20.7 325 117 B D H > S+ 0 0 107 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.889 114.2 51.4 -62.2 -35.9 -2.5 21.8 22.4 326 118 B Y H X S+ 0 0 31 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.940 111.0 46.1 -66.4 -47.8 1.1 22.2 21.2 327 119 B V H < S+ 0 0 51 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.5 54.6 -65.3 -33.6 1.3 25.8 22.5 328 120 B K H < S+ 0 0 157 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.899 112.4 43.6 -66.8 -38.5 -0.3 24.7 25.8 329 121 B A H >X S+ 0 0 51 -4,-1.9 4,-1.2 -5,-0.2 3,-0.7 0.722 91.2 89.7 -80.2 -19.0 2.4 22.0 26.2 330 122 B L H >X S+ 0 0 3 -4,-1.6 4,-2.2 1,-0.2 3,-1.2 0.859 76.4 60.7 -46.0 -53.9 5.3 24.3 25.1 331 123 B P H 3> S+ 0 0 62 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.897 107.5 46.8 -42.4 -48.6 6.2 25.6 28.6 332 124 B G H <4 S+ 0 0 43 -3,-0.7 -2,-0.2 -4,-0.3 -3,-0.1 0.797 111.5 51.1 -65.6 -29.6 7.0 22.1 29.8 333 125 B Q H << S+ 0 0 63 -4,-1.2 4,-0.2 -3,-1.2 -1,-0.2 0.754 115.2 41.8 -78.8 -27.1 9.0 21.4 26.7 334 126 B L H >X S+ 0 0 0 -4,-2.2 3,-1.5 -3,-0.3 4,-1.3 0.793 94.8 81.2 -88.5 -32.2 11.1 24.5 27.1 335 127 B K H 3X S+ 0 0 127 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.801 84.1 61.0 -41.6 -45.0 11.6 24.2 30.8 336 128 B P H 3> S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.873 104.9 47.9 -56.6 -35.3 14.4 21.7 30.5 337 129 B F H <> S+ 0 0 2 -3,-1.5 4,-1.9 -4,-0.2 -2,-0.2 0.852 110.1 50.8 -76.0 -31.2 16.6 24.2 28.6 338 130 B E H X S+ 0 0 25 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.949 111.6 49.4 -69.0 -43.8 16.0 27.0 31.1 339 131 B T H X S+ 0 0 56 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.912 108.3 52.5 -59.9 -47.6 17.0 24.5 33.9 340 132 B L H >< S+ 0 0 15 -4,-2.2 3,-0.6 1,-0.2 4,-0.4 0.919 109.9 50.8 -53.9 -44.7 20.1 23.5 32.0 341 133 B L H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 6,-1.5 0.916 105.2 53.9 -61.8 -46.3 21.0 27.2 31.7 342 134 B S H 3X S+ 0 0 65 -4,-2.5 4,-0.6 1,-0.3 -1,-0.2 0.729 106.7 54.5 -63.7 -20.3 20.5 27.9 35.5 343 135 B Q T << S+ 0 0 139 -4,-1.2 2,-0.6 -3,-0.6 -1,-0.3 0.530 99.5 66.7 -91.1 -4.3 22.9 25.1 36.2 344 136 B N T X4>S- 0 0 29 -3,-1.7 3,-1.4 -4,-0.4 5,-0.6 -0.811 131.5 -48.7-122.2 90.6 25.7 26.6 34.1 345 137 B Q G >45S- 0 0 123 -2,-0.6 3,-1.6 1,-0.3 -2,-0.1 0.853 105.3 -61.6 53.7 38.5 27.0 29.9 35.5 346 138 B G G 3<5S- 0 0 39 -4,-0.6 -1,-0.3 1,-0.3 -4,-0.2 0.763 90.7 -68.0 63.8 25.3 23.5 31.2 35.9 347 139 B G G < 5S+ 0 0 1 -6,-1.5 -1,-0.3 -3,-1.4 -2,-0.2 0.663 104.0 126.7 69.3 18.8 22.8 31.0 32.2 348 140 B K T < 5S+ 0 0 146 -3,-1.6 -3,-0.1 -4,-0.4 -2,-0.1 0.787 73.6 21.3 -78.8 -29.9 25.3 33.8 31.5 349 141 B T S > - 0 0 2 -70,-0.1 3,-1.8 -4,-0.1 4,-1.0 -0.929 41.1 -99.2-139.6 166.6 28.9 24.4 20.9 358 150 B F H 3> S+ 0 0 0 -72,-2.2 4,-2.0 -2,-0.3 5,-0.2 0.805 120.5 64.7 -58.2 -27.3 26.8 23.1 18.0 359 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-3.1 1,-0.2 -1,-0.3 0.863 96.5 57.5 -64.1 -32.7 24.0 22.5 20.5 360 152 B D H <> S+ 0 0 0 -3,-1.8 4,-3.4 2,-0.2 -1,-0.2 0.958 106.9 45.5 -61.0 -52.8 23.8 26.3 21.1 361 153 B Y H X S+ 0 0 1 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.885 115.9 47.8 -59.8 -37.4 23.1 27.1 17.4 362 154 B N H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.945 114.5 44.5 -71.0 -46.2 20.6 24.3 17.3 363 155 B L H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.901 111.5 55.1 -64.2 -40.1 18.8 25.3 20.5 364 156 B L H X S+ 0 0 0 -4,-3.4 4,-3.2 -5,-0.2 -2,-0.2 0.960 109.8 45.9 -58.2 -49.7 19.0 29.0 19.4 365 157 B D H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.920 110.3 53.0 -59.8 -45.1 17.1 28.1 16.2 366 158 B L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.956 112.2 46.5 -53.8 -50.1 14.6 26.0 18.0 367 159 B L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 3,-0.4 0.957 111.5 51.0 -58.2 -51.3 14.0 29.0 20.2 368 160 B L H X S+ 0 0 36 -4,-3.2 4,-1.4 1,-0.2 3,-0.4 0.937 110.1 47.7 -53.8 -51.3 13.7 31.4 17.3 369 161 B I H X S+ 0 0 4 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.824 110.1 54.8 -64.4 -26.6 11.2 29.3 15.4 370 162 B H H X S+ 0 0 0 -4,-1.9 4,-3.7 -3,-0.4 -1,-0.2 0.884 99.5 58.5 -74.8 -31.5 9.1 28.9 18.5 371 163 B E H < S+ 0 0 67 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.879 109.4 46.4 -63.4 -34.1 8.9 32.6 19.1 372 164 B V H < S+ 0 0 58 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.911 115.1 46.4 -72.5 -40.8 7.3 32.9 15.7 373 165 B L H < S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.923 134.6 12.9 -66.6 -48.2 5.0 29.9 16.4 374 166 B A S >< S- 0 0 12 -4,-3.7 3,-2.3 -5,-0.1 -1,-0.3 -0.747 86.5-142.5-132.4 83.2 4.0 31.2 19.8 375 167 B P T 3 S+ 0 0 111 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.180 86.3 16.4 -48.1 128.1 5.0 34.8 20.2 376 168 B G T > S+ 0 0 24 1,-0.1 3,-2.7 -5,-0.1 4,-0.4 0.414 77.0 132.6 86.9 1.9 6.2 35.4 23.8 377 169 B C T < S+ 0 0 25 -3,-2.3 3,-0.2 1,-0.3 -43,-0.1 0.661 74.6 56.8 -59.9 -13.5 6.7 31.7 24.8 378 170 B L T > S+ 0 0 4 -4,-0.2 3,-1.8 1,-0.2 7,-0.4 0.518 78.8 90.5 -96.1 -4.1 10.0 32.8 26.2 379 171 B D T < S+ 0 0 130 -3,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.864 86.8 51.3 -58.5 -37.2 8.6 35.4 28.5 380 172 B A T 3 S+ 0 0 78 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.475 105.7 64.0 -79.4 0.1 8.3 32.9 31.3 381 173 B F <> + 0 0 14 -3,-1.8 4,-2.7 1,-0.1 -1,-0.2 -0.686 57.4 174.7-130.1 82.2 12.0 31.9 30.7 382 174 B P H > S+ 0 0 83 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.842 82.0 51.4 -53.1 -44.3 14.3 34.9 31.5 383 175 B L H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.963 112.9 45.4 -62.9 -45.1 17.5 32.8 31.0 384 176 B L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.924 113.3 50.8 -62.8 -46.7 16.3 31.6 27.6 385 177 B S H X S+ 0 0 43 -4,-2.7 4,-2.4 -7,-0.4 -1,-0.2 0.951 113.9 42.8 -56.0 -52.6 15.2 35.1 26.6 386 178 B A H X S+ 0 0 49 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.888 112.8 55.6 -63.0 -35.4 18.5 36.7 27.5 387 179 B Y H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.4 0.952 107.8 47.5 -61.1 -51.5 20.3 33.7 25.9 388 180 B V H X S+ 0 0 19 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.953 115.4 45.0 -56.7 -51.0 18.5 34.3 22.6 389 181 B G H X S+ 0 0 42 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.956 114.3 49.1 -58.5 -49.4 19.3 38.0 22.6 390 182 B R H >X S+ 0 0 78 -4,-3.2 3,-0.7 1,-0.2 4,-0.5 0.940 116.2 40.8 -56.0 -54.1 22.9 37.5 23.7 391 183 B L H >< S+ 0 0 2 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.922 112.6 55.2 -62.6 -43.2 23.6 34.9 21.0 392 184 B S H 3< S+ 0 0 27 -4,-3.0 -1,-0.3 -5,-0.4 -2,-0.2 0.726 102.5 60.2 -61.6 -21.9 21.6 36.8 18.4 393 185 B A H << S+ 0 0 58 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.617 71.3 119.0 -82.7 -14.7 23.9 39.8 19.2 394 186 B R S S+ 0 0 108 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.788 104.8 38.5 -30.6 -68.3 28.5 40.2 15.3 396 188 B K H > S+ 0 0 126 1,-0.2 4,-2.0 -165,-0.2 5,-0.1 0.882 120.4 47.8 -59.8 -38.5 28.8 37.6 12.5 397 189 B L H > S+ 0 0 0 -3,-0.5 4,-3.5 2,-0.2 5,-0.2 0.935 110.2 51.6 -67.6 -47.4 25.6 35.9 13.6 398 190 B K H X S+ 0 0 130 -4,-3.4 4,-1.8 1,-0.2 5,-0.2 0.955 111.1 47.4 -54.2 -54.2 23.6 39.2 13.8 399 191 B A H X S+ 0 0 66 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.899 114.5 48.0 -56.1 -41.9 24.7 40.2 10.3 400 192 B F H >< S+ 0 0 14 -4,-2.0 3,-1.3 1,-0.2 6,-0.4 0.967 110.2 50.4 -64.6 -50.6 23.8 36.7 9.0 401 193 B L H 3< S+ 0 0 26 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.751 113.5 46.2 -59.5 -28.0 20.4 36.7 10.7 402 194 B A H 3< S+ 0 0 73 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.600 93.5 105.3 -90.1 -11.4 19.6 40.1 9.2 403 195 B S S XX S- 0 0 24 -3,-1.3 4,-2.9 -4,-0.9 3,-1.7 -0.316 79.9-122.3 -73.6 151.2 20.9 39.1 5.8 404 196 B P H 3> S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.797 110.1 70.8 -57.6 -31.8 18.5 38.4 2.8 405 197 B E H 34 S+ 0 0 104 2,-0.2 -4,-0.1 1,-0.1 -5,-0.1 0.760 116.9 19.8 -56.2 -31.7 20.1 34.9 2.6 406 198 B Y H X4 S+ 0 0 22 -3,-1.7 3,-2.0 -6,-0.4 -1,-0.1 0.809 124.6 53.0-102.7 -57.3 18.3 34.1 5.9 407 199 B V H 3< S+ 0 0 71 -4,-2.9 -2,-0.2 -7,-0.3 -4,-0.1 0.792 106.9 52.1 -52.0 -38.0 15.5 36.6 6.2 408 200 B N T 3< S+ 0 0 121 -4,-2.2 -1,-0.3 -5,-0.3 -3,-0.1 0.351 90.7 91.2 -88.2 11.0 14.0 35.8 2.7 409 201 B L S < S- 0 0 42 -3,-2.0 -191,-0.2 -5,-0.1 2,-0.1 -0.857 80.3-122.3-103.8 132.2 13.8 32.1 3.3 410 202 B P - 0 0 64 0, 0.0 -191,-2.3 0, 0.0 -190,-0.2 -0.467 17.8-126.8 -70.7 152.7 10.6 30.7 4.7 411 203 B I S S+ 0 0 6 -193,-0.2 -191,-2.6 -192,-0.2 2,-0.2 0.944 91.0 19.6 -63.1 -46.3 11.1 28.8 7.9 412 204 B N S > S- 0 0 8 4,-0.2 3,-0.5 -193,-0.2 -193,-0.1 -0.744 76.7-120.3-121.4 166.9 9.2 25.8 6.6 413 205 B G T 3 S+ 0 0 52 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.517 105.4 57.2 -85.4 -8.6 8.3 24.5 3.1 414 206 B N T 3 S- 0 0 60 2,-0.3 -1,-0.2 0, 0.0 3,-0.1 0.339 111.0-111.1-103.9 7.4 4.5 24.5 3.5 415 207 B G S < S+ 0 0 67 -3,-0.5 2,-0.3 1,-0.3 -2,-0.1 0.575 79.4 122.9 78.5 7.5 4.2 28.1 4.4 416 208 B K 0 0 65 1,-0.1 -1,-0.3 -101,-0.1 -2,-0.3 -0.811 360.0 360.0-104.6 143.1 3.2 27.4 8.0 417 209 B Q 0 0 99 -2,-0.3 -1,-0.1 -45,-0.1 -102,-0.0 0.257 360.0 360.0-160.4 360.0 5.2 28.8 11.0