==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUN-03 1PN9 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 1-6; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES GAMBIAE; . AUTHOR L.CHEN,P.R.HALL,X.E.ZHOU,H.RANSON,J.HEMINGWAY,E.J.MEEHAN . 418 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.3 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 . 19 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 47.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 4.3 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 0 0 2 0 0 0 0 1 3 3 1 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A M 0 0 56 0, 0.0 26,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 110.3 57.9 45.6 -1.3 2 2 A D E -aB 27 56A 44 54,-2.1 54,-2.5 24,-0.2 2,-0.5 -0.530 360.0-164.0 -73.9 131.9 57.6 42.7 1.1 3 3 A F E -aB 28 55A 0 24,-2.8 26,-2.9 -2,-0.3 2,-0.6 -0.888 3.1-163.5-122.7 100.9 54.3 42.5 2.9 4 4 A Y E +aB 29 54A 31 50,-2.6 50,-1.7 -2,-0.5 2,-0.3 -0.732 41.9 111.8 -82.9 121.8 54.1 40.2 6.0 5 5 A Y E -a 30 0A 17 24,-1.5 26,-2.6 -2,-0.6 3,-0.1 -0.898 57.1-121.0-164.8-169.3 50.5 39.6 6.8 6 6 A L > - 0 0 30 -2,-0.3 3,-1.8 24,-0.2 7,-0.2 -0.938 24.7-131.9-154.0 129.7 47.4 37.4 7.0 7 7 A P T 3 S+ 0 0 16 0, 0.0 196,-0.1 0, 0.0 6,-0.1 0.837 106.4 63.5 -55.8 -29.2 44.1 38.0 5.1 8 8 A G T 3 S+ 0 0 10 194,-0.1 2,-0.5 4,-0.1 195,-0.0 0.723 83.4 93.7 -67.7 -20.4 42.2 37.5 8.4 9 9 A S <> - 0 0 21 -3,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.641 65.1-153.0 -80.9 118.1 43.9 40.5 10.0 10 10 A A H > S+ 0 0 1 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.935 96.6 49.7 -53.5 -54.5 41.9 43.8 9.7 11 11 A P H > S+ 0 0 20 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.898 110.9 51.9 -55.4 -36.8 45.0 46.0 9.8 12 12 A C H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.922 109.7 49.0 -63.4 -43.3 46.6 43.9 7.1 13 13 A R H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.827 103.9 59.3 -66.3 -32.4 43.5 44.2 4.9 14 14 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.933 108.5 46.2 -60.1 -45.3 43.4 48.0 5.4 15 15 A V H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 5,-0.3 0.899 107.3 57.0 -64.2 -42.7 46.9 48.1 3.9 16 16 A Q H X S+ 0 0 11 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.910 110.6 43.6 -57.6 -42.8 45.9 45.8 1.0 17 17 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.930 113.6 51.2 -68.2 -43.5 43.1 48.1 -0.1 18 18 A T H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.911 108.8 51.2 -59.3 -43.6 45.4 51.2 0.4 19 19 A A H <>S+ 0 0 2 -4,-3.2 5,-3.2 1,-0.2 -1,-0.2 0.865 111.1 48.6 -61.9 -36.0 48.1 49.5 -1.8 20 20 A A H ><5S+ 0 0 46 -4,-1.5 3,-1.5 -5,-0.3 -2,-0.2 0.918 106.3 57.5 -69.0 -42.6 45.5 48.8 -4.5 21 21 A A H 3<5S+ 0 0 30 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.813 113.7 38.0 -56.7 -35.7 44.3 52.4 -4.3 22 22 A V T 3<5S- 0 0 24 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.323 114.4-115.8 -99.2 6.2 47.8 53.7 -5.1 23 23 A G T < 5 + 0 0 69 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.818 60.9 153.5 65.4 32.1 48.5 51.0 -7.6 24 24 A V < - 0 0 22 -5,-3.2 2,-0.5 -6,-0.2 -1,-0.2 -0.797 39.3-136.0 -97.0 134.7 51.3 49.5 -5.6 25 25 A E - 0 0 179 -2,-0.4 2,-0.5 -5,-0.0 -5,-0.0 -0.756 18.2-151.8 -91.2 129.6 52.2 45.8 -6.0 26 26 A L - 0 0 35 -2,-0.5 2,-1.4 -10,-0.1 -24,-0.2 -0.870 14.8-135.3-107.5 131.8 52.9 43.9 -2.7 27 27 A N E -a 2 0A 88 -26,-2.8 -24,-2.8 -2,-0.5 2,-0.3 -0.684 34.9-137.9 -80.8 95.6 55.1 40.8 -2.4 28 28 A L E -a 3 0A 82 -2,-1.4 2,-0.5 -26,-0.2 -24,-0.2 -0.381 25.3-178.2 -63.6 120.3 52.7 38.8 -0.2 29 29 A K E -a 4 0A 77 -26,-2.9 -24,-1.5 -2,-0.3 -1,-0.1 -0.834 20.9-142.1-122.9 92.1 54.5 37.0 2.6 30 30 A L E -a 5 0A 112 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.266 17.6-171.2 -51.8 129.9 52.0 34.9 4.6 31 31 A T - 0 0 8 -26,-2.6 2,-0.8 7,-0.0 7,-0.1 -0.788 9.2-155.8-132.3 89.4 52.9 35.1 8.3 32 32 A D > > - 0 0 38 -2,-0.4 5,-2.2 1,-0.2 3,-1.5 -0.517 9.7-173.4 -71.1 104.2 50.9 32.6 10.4 33 33 A L G > 5S+ 0 0 63 -2,-0.8 3,-1.7 1,-0.3 -1,-0.2 0.811 84.7 65.8 -65.1 -29.3 50.9 34.0 14.0 34 34 A M G 3 5S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.581 105.7 42.6 -69.9 -9.3 49.1 30.8 15.0 35 35 A K G < 5S- 0 0 155 -3,-1.5 -1,-0.3 0, 0.0 -2,-0.2 0.151 118.4-113.1-117.8 11.2 52.4 28.9 14.1 36 36 A G T X 5 + 0 0 28 -3,-1.7 3,-2.0 1,-0.1 -3,-0.2 0.676 68.8 144.0 65.0 20.6 54.5 31.6 15.7 37 37 A E G > < + 0 0 54 -5,-2.2 3,-1.4 1,-0.3 6,-0.3 0.784 66.1 63.4 -61.5 -26.2 56.0 32.7 12.4 38 38 A H G 3 S+ 0 0 37 -6,-0.3 -1,-0.3 1,-0.3 9,-0.1 0.587 98.5 57.9 -74.3 -7.7 56.1 36.3 13.7 39 39 A M G < S+ 0 0 87 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.308 75.4 122.8-103.7 8.1 58.5 35.2 16.3 40 40 A K S X> S- 0 0 112 -3,-1.4 4,-2.4 1,-0.1 3,-0.9 -0.480 74.3-118.0 -70.4 140.9 61.2 33.8 13.9 41 41 A P H 3> S+ 0 0 105 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.841 114.3 57.0 -43.8 -41.8 64.6 35.4 14.4 42 42 A E H 3> S+ 0 0 150 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.886 109.6 42.3 -60.0 -45.3 64.4 36.8 10.8 43 43 A F H X> S+ 0 0 10 -3,-0.9 4,-3.2 -6,-0.3 3,-0.7 0.902 110.0 57.0 -71.0 -41.6 61.1 38.6 11.4 44 44 A L H 3< S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 102.8 55.8 -59.0 -31.3 62.2 39.9 14.8 45 45 A K H 3< S+ 0 0 185 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.824 113.6 40.1 -72.0 -29.7 65.2 41.5 13.2 46 46 A L H << S+ 0 0 56 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.849 135.8 16.5 -82.8 -38.8 62.9 43.4 10.8 47 47 A N >< - 0 0 0 -4,-3.2 3,-2.1 -5,-0.1 -1,-0.3 -0.844 58.5-170.4-140.9 100.7 60.3 44.2 13.5 48 48 A P T 3 S+ 0 0 40 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.651 92.1 60.8 -63.7 -14.5 61.2 43.8 17.2 49 49 A Q T 3 S- 0 0 15 2,-0.1 -5,-0.1 -5,-0.0 297,-0.0 0.418 98.7-144.9 -91.6 1.9 57.5 44.3 18.1 50 50 A H < + 0 0 59 -3,-2.1 2,-0.3 -7,-0.2 -12,-0.1 0.840 47.4 133.9 33.9 64.1 56.8 41.1 16.0 51 51 A C - 0 0 38 2,-0.1 -1,-0.1 -12,-0.0 -2,-0.1 -0.970 46.0 -91.8-140.1 154.8 53.5 42.2 14.6 52 52 A I S S+ 0 0 19 -2,-0.3 -40,-0.2 11,-0.1 -47,-0.1 -0.863 91.0 49.9-114.0 150.6 51.6 42.2 11.3 53 53 A P S S+ 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.463 70.3 164.9 -76.3 150.3 51.1 44.0 9.0 54 54 A T E -BC 4 63A 0 -50,-1.7 -50,-2.6 9,-0.2 2,-0.4 -0.998 17.3-160.4-132.2 127.8 54.8 44.7 8.4 55 55 A L E -BC 3 62A 0 7,-3.2 7,-3.2 -2,-0.4 2,-0.5 -0.899 7.6-165.3-113.3 137.2 56.0 46.3 5.2 56 56 A V E -BC 2 61A 12 -54,-2.5 -54,-2.1 -2,-0.4 2,-0.9 -0.907 7.7-176.8-122.7 101.4 59.6 46.3 3.9 57 57 A D E > S- C 0 60A 16 3,-2.5 3,-1.6 -2,-0.5 -2,-0.0 -0.839 74.0 -38.0-102.6 98.0 60.1 48.8 1.0 58 58 A N T 3 S- 0 0 161 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.927 127.5 -35.4 52.1 55.6 63.7 48.5 -0.3 59 59 A G T 3 S+ 0 0 70 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.150 112.9 117.0 89.6 -22.1 65.2 47.8 3.1 60 60 A F E < -C 57 0A 22 -3,-1.6 -3,-2.5 2,-0.0 2,-0.5 -0.742 51.1-158.3 -85.9 112.8 62.9 50.2 5.0 61 61 A A E +C 56 0A 26 -2,-0.8 2,-0.4 -5,-0.2 -5,-0.2 -0.778 16.0 174.7 -93.6 131.0 60.8 48.2 7.5 62 62 A L E +C 55 0A 4 -7,-3.2 -7,-3.2 -2,-0.5 2,-0.2 -0.992 8.0 176.3-141.6 132.9 57.6 49.7 8.7 63 63 A W E +C 54 0A 17 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.751 43.1 82.0-127.0 178.3 54.7 48.5 10.9 64 64 A E S >> S- 0 0 26 -11,-0.8 4,-2.1 -2,-0.2 3,-1.4 0.782 71.8-126.7 84.6 96.9 51.5 50.0 12.4 65 65 A S H 3> S+ 0 0 3 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.786 105.2 50.6 -42.0 -43.8 48.9 49.6 9.5 66 66 A R H 3> S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.793 108.6 51.0 -73.7 -25.9 47.9 53.2 9.5 67 67 A A H <> S+ 0 0 0 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.889 112.4 48.4 -73.6 -39.2 51.4 54.5 9.4 68 68 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.900 109.2 53.5 -64.9 -41.4 51.9 52.2 6.4 69 69 A Q H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.930 111.5 44.5 -59.1 -47.3 48.7 53.4 4.9 70 70 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.911 110.5 54.8 -63.6 -44.8 49.9 57.0 5.1 71 71 A Y H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.918 110.2 46.6 -55.1 -47.1 53.4 56.1 3.8 72 72 A L H X>S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.9 0.926 113.6 47.8 -62.8 -47.0 51.9 54.5 0.7 73 73 A A H X5S+ 0 0 10 -4,-2.2 4,-0.9 3,-0.2 -2,-0.2 0.933 118.1 40.6 -59.9 -49.0 49.5 57.5 0.0 74 74 A E H <5S+ 0 0 45 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.849 124.4 35.7 -70.4 -37.8 52.2 60.1 0.5 75 75 A K H <5S+ 0 0 78 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.847 136.7 15.6 -87.6 -36.0 55.0 58.2 -1.4 76 76 A Y H <5S+ 0 0 61 -4,-2.6 2,-0.4 -5,-0.4 -3,-0.2 0.490 95.6 111.2-115.9 -8.3 53.2 56.5 -4.1 77 77 A G << + 0 0 23 -4,-0.9 -55,-0.1 -5,-0.9 -4,-0.1 -0.557 35.4 177.6 -74.4 124.0 49.9 58.3 -4.1 78 78 A K + 0 0 183 -2,-0.4 2,-0.5 1,-0.1 -1,-0.2 0.650 66.4 69.2 -96.7 -20.2 49.3 60.4 -7.2 79 79 A D > - 0 0 124 1,-0.1 3,-1.1 -6,-0.1 4,-0.4 -0.894 67.7-154.3-105.6 124.1 45.9 61.6 -6.3 80 80 A D T 3 S+ 0 0 75 -2,-0.5 3,-0.5 1,-0.2 -1,-0.1 0.667 83.3 79.5 -68.2 -18.7 45.6 64.0 -3.3 81 81 A K T 3 S+ 0 0 140 1,-0.2 -1,-0.2 2,-0.2 70,-0.1 0.751 84.1 61.1 -63.8 -25.5 42.0 62.9 -2.5 82 82 A L S < S+ 0 0 24 -3,-1.1 72,-1.8 1,-0.3 73,-0.4 0.903 130.9 3.4 -67.5 -41.0 43.1 59.7 -0.7 83 83 A Y S S- 0 0 8 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 -0.637 88.8-146.8-147.0 78.4 45.0 61.7 1.9 84 84 A P - 0 0 7 0, 0.0 9,-0.1 0, 0.0 -3,-0.1 -0.167 8.1-142.9 -54.1 135.6 44.5 65.5 1.3 85 85 A K + 0 0 152 4,-0.1 -4,-0.0 5,-0.1 -5,-0.0 0.704 69.1 110.4 -72.3 -23.9 47.4 67.9 2.1 86 86 A D S > S- 0 0 74 1,-0.2 4,-3.4 2,-0.1 5,-0.3 -0.380 72.5-135.5 -54.3 122.5 45.1 70.6 3.4 87 87 A P H > S+ 0 0 32 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.884 101.1 46.9 -50.2 -46.4 45.8 70.5 7.2 88 88 A Q H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.959 115.8 43.7 -63.7 -50.6 42.1 70.7 8.2 89 89 A K H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.951 116.1 48.2 -59.7 -47.4 41.0 68.0 5.8 90 90 A R H X S+ 0 0 15 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.835 105.8 59.8 -61.3 -32.5 44.0 65.8 6.7 91 91 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.869 104.6 48.3 -65.0 -37.6 43.3 66.4 10.4 92 92 A V H X S+ 0 0 27 -4,-1.6 4,-2.3 -3,-0.5 -1,-0.2 0.891 111.6 50.1 -71.3 -36.7 39.9 64.8 10.1 93 93 A V H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.916 112.4 47.6 -66.6 -40.5 41.3 61.9 8.2 94 94 A N H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.908 111.0 50.3 -67.2 -39.8 43.9 61.5 11.0 95 95 A Q H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.919 111.3 49.8 -62.5 -41.7 41.3 61.7 13.7 96 96 A R H X S+ 0 0 20 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.890 110.3 50.4 -63.1 -41.4 39.3 59.1 11.9 97 97 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.909 112.6 45.1 -64.0 -43.9 42.3 56.8 11.6 98 98 A Y H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.868 110.8 55.4 -68.2 -34.4 43.1 57.1 15.3 99 99 A F H X>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 4,-1.9 0.905 105.9 52.6 -62.4 -41.2 39.4 56.6 16.0 100 100 A D H <>S+ 0 0 0 -4,-2.1 5,-3.1 3,-0.2 6,-0.5 0.926 117.5 35.6 -62.8 -45.3 39.6 53.3 14.1 101 101 A M H <>S+ 0 0 13 -4,-1.8 5,-1.1 4,-0.2 -2,-0.2 0.979 125.2 36.0 -73.6 -56.2 42.5 52.0 16.0 102 102 A G H <5S+ 0 0 19 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.636 134.8 13.0 -75.0 -15.9 41.9 53.2 19.5 103 103 A T T X5S+ 0 0 11 -4,-1.9 4,-1.9 -5,-0.4 5,-0.2 0.700 126.0 37.1-124.0 -61.5 38.1 53.0 19.6 104 104 A L H >X S+ 0 0 26 -4,-2.9 4,-2.7 -5,-0.2 3,-1.1 0.900 105.9 63.9 -93.3 -47.2 35.7 39.3 20.7 113 113 A Y H 3X>S+ 0 0 55 -4,-1.7 4,-2.5 -5,-0.3 5,-0.9 0.798 100.1 56.6 -53.1 -31.6 39.3 38.1 20.9 114 114 A P H 3>5S+ 0 0 55 0, 0.0 6,-2.0 0, 0.0 4,-0.6 0.882 114.1 40.1 -68.4 -33.1 38.9 36.9 24.4 115 115 A Q H <>5S+ 0 0 55 -3,-1.1 4,-0.6 -4,-0.3 -2,-0.2 0.915 119.4 44.7 -77.3 -46.5 36.0 34.7 23.3 116 116 A I H <5S+ 0 0 17 -4,-2.7 -3,-0.2 2,-0.1 -1,-0.1 0.903 130.0 20.9 -65.6 -46.2 37.5 33.6 20.0 117 117 A F H <5S+ 0 0 101 -4,-2.5 -2,-0.1 -5,-0.2 -1,-0.1 0.858 135.3 31.9 -94.5 -42.6 41.0 32.8 21.3 118 118 A A H < - 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0 0 22 -4,-1.1 2,-0.4 -5,-0.9 3,-0.2 -0.367 52.8-148.2 -70.1 142.4 54.9 74.6 12.5 288 78 B K S > S+ 0 0 146 1,-0.2 3,-1.4 -2,-0.1 4,-0.1 -0.894 78.5 3.8-111.5 139.6 57.9 76.3 10.9 289 79 B D T 3 S- 0 0 120 -2,-0.4 -1,-0.2 1,-0.3 4,-0.1 0.723 103.1-102.3 61.2 21.7 60.8 74.3 9.3 290 80 B D T > + 0 0 47 -3,-0.2 3,-1.7 -7,-0.2 -1,-0.3 0.728 68.3 162.7 33.6 30.0 58.7 71.1 10.1 291 81 B K T < S+ 0 0 123 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.622 72.5 34.3 -50.5 -16.3 61.2 70.9 13.0 292 82 B L T 3 S+ 0 0 21 1,-0.2 72,-2.4 71,-0.1 73,-0.3 0.451 126.3 32.4-120.2 -5.0 58.8 68.4 14.7 293 83 B Y S < S- 0 0 2 -3,-1.7 -1,-0.2 70,-0.2 -2,-0.1 -0.524 78.2-145.5-157.0 79.6 57.3 66.5 11.8 294 84 B P - 0 0 24 0, 0.0 9,-0.1 0, 0.0 -4,-0.1 -0.081 7.1-143.6 -50.2 142.2 59.5 65.9 8.7 295 85 B K + 0 0 139 4,-0.1 5,-0.1 5,-0.1 -5,-0.0 0.750 68.4 110.7 -79.7 -26.9 57.8 65.9 5.3 296 86 B D S > S- 0 0 83 1,-0.1 4,-3.0 2,-0.1 5,-0.3 -0.331 72.8-134.2 -52.8 119.8 60.1 63.2 3.9 297 87 B P H > S+ 0 0 35 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.850 100.8 45.0 -44.0 -50.0 57.7 60.2 3.6 298 88 B Q H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.950 115.9 44.3 -65.7 -50.2 60.1 57.7 5.2 299 89 B K H > S+ 0 0 108 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.867 115.1 50.5 -63.0 -35.2 61.1 59.9 8.1 300 90 B R H X S+ 0 0 11 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.859 103.7 59.2 -70.2 -34.8 57.5 60.8 8.6 301 91 B A H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.911 104.1 50.8 -60.5 -42.9 56.4 57.2 8.6 302 92 B V H X S+ 0 0 30 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.938 111.2 47.9 -61.7 -45.5 58.7 56.4 11.5 303 93 B V H X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.950 113.5 47.9 -60.3 -47.3 57.2 59.3 13.5 304 94 B N H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.909 110.7 50.0 -60.6 -43.0 53.7 58.2 12.6 305 95 B Q H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.859 110.8 51.6 -63.1 -33.2 54.4 54.6 13.6 306 96 B R H X S+ 0 0 24 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.852 108.9 50.4 -70.5 -36.1 55.9 56.0 16.9 307 97 B L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.917 112.2 46.0 -68.1 -45.4 52.7 58.0 17.4 308 98 B Y H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.880 110.8 53.9 -65.4 -36.1 50.5 54.9 16.8 309 99 B F H X>S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-1.6 0.936 106.0 53.7 -61.9 -45.0 52.8 52.9 19.1 310 100 B D H <>S+ 0 0 0 -4,-2.2 5,-3.0 3,-0.2 6,-0.5 0.915 117.0 36.6 -56.7 -45.0 52.3 55.5 21.8 311 101 B M H <>S+ 0 0 14 -4,-1.9 5,-0.9 4,-0.2 -2,-0.2 0.966 125.1 35.4 -73.9 -54.2 48.5 55.2 21.6 312 102 B G H <5S+ 0 0 19 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.647 134.1 13.7 -78.6 -15.4 48.0 51.5 21.0 313 103 B T T X5S+ 0 0 10 -4,-2.5 4,-2.0 -5,-0.3 5,-0.2 0.714 125.0 36.4-123.2 -63.7 50.8 50.1 23.0 314 104 B L H >S+ 0 0 86 -4,-2.4 4,-3.4 -5,-0.3 5,-0.6 0.900 101.0 49.3 -51.4 -48.6 42.5 52.5 35.1 324 114 B P H >5S+ 0 0 45 0, 0.0 6,-2.6 0, 0.0 4,-0.9 0.877 116.1 44.8 -60.2 -35.1 40.8 49.5 36.8 325 115 B Q H 45S+ 0 0 60 -4,-0.4 4,-0.2 -3,-0.4 -2,-0.2 0.871 120.4 39.7 -74.2 -39.0 42.8 50.2 39.9 326 116 B I H <5S+ 0 0 36 -4,-3.0 -3,-0.2 2,-0.1 -1,-0.1 0.924 131.2 22.5 -78.3 -48.1 42.2 54.0 39.8 327 117 B F H <5S+ 0 0 109 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.1 0.524 139.2 28.8-100.6 -6.2 38.6 54.1 38.7 328 118 B A S < - 0 0 68 -12,-0.3 4,-1.6 -2,-0.3 3,-0.3 -0.744 11.6-162.3 -85.5 106.5 46.6 42.5 37.4 334 124 B P H > S+ 0 0 82 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.824 89.8 59.1 -58.6 -31.5 50.2 41.2 37.4 335 125 B E H > S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.929 107.3 45.0 -63.9 -44.9 49.7 39.9 33.9 336 126 B N H > S+ 0 0 34 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.767 107.3 58.7 -71.6 -24.0 48.9 43.4 32.6 337 127 B E H X S+ 0 0 67 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.890 105.5 51.0 -69.9 -36.5 51.8 44.9 34.5 338 128 B K H X S+ 0 0 135 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.904 109.3 49.0 -65.3 -42.6 54.0 42.6 32.6 339 129 B K H X S+ 0 0 80 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.909 110.2 52.6 -63.5 -39.4 52.5 43.7 29.3 340 130 B M H X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.923 108.6 50.5 -61.9 -42.2 53.0 47.3 30.4 341 131 B K H X S+ 0 0 82 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.884 106.8 53.1 -63.0 -40.9 56.7 46.5 31.1 342 132 B D H X S+ 0 0 87 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.845 102.7 59.9 -63.9 -33.1 57.2 45.0 27.7 343 133 B A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.955 106.5 45.3 -59.5 -48.4 55.8 48.2 26.1 344 134 B V H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.870 110.9 56.7 -61.3 -34.1 58.6 50.2 27.8 345 135 B G H X S+ 0 0 19 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.874 103.7 51.1 -64.9 -38.7 60.9 47.4 26.6 346 136 B F H X S+ 0 0 28 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.905 111.5 48.4 -64.7 -40.2 59.8 48.0 23.0 347 137 B L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.860 107.8 55.0 -66.5 -36.2 60.5 51.7 23.4 348 138 B N H < S+ 0 0 23 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.895 110.8 45.7 -64.9 -38.0 63.8 50.9 24.8 349 139 B T H >< S+ 0 0 68 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.940 107.8 55.6 -69.4 -47.3 64.7 48.8 21.8 350 140 B F H 3< S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.858 107.6 52.0 -52.6 -36.5 63.4 51.5 19.4 351 141 B L T >< S+ 0 0 3 -4,-1.8 3,-3.7 -5,-0.1 -1,-0.3 0.570 75.2 137.6 -78.3 -10.7 65.8 53.9 21.0 352 142 B E T < S- 0 0 131 -3,-2.0 3,-0.1 -4,-0.4 -3,-0.1 -0.119 90.7 -15.1 -41.3 112.9 68.8 51.6 20.6 353 143 B G T 3 S+ 0 0 75 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.678 112.5 123.7 61.1 20.2 71.6 54.0 19.5 354 144 B Q < - 0 0 81 -3,-3.7 -1,-0.2 1,-0.1 6,-0.1 -0.844 58.8-148.1-112.8 148.5 69.0 56.7 18.7 355 145 B E S S+ 0 0 88 4,-0.5 2,-0.3 -2,-0.3 5,-0.2 0.901 85.7 10.0 -78.1 -42.8 68.9 60.3 20.1 356 146 B Y B > S-H 359 0D 16 3,-3.2 3,-1.3 5,-0.1 -1,-0.1 -0.805 91.8 -87.2-131.6 172.0 65.1 60.4 19.9 357 147 B A T 3 S+ 0 0 0 1,-0.3 5,-0.1 -2,-0.3 3,-0.1 0.801 124.5 19.6 -48.5 -41.1 62.2 58.1 19.2 358 148 B A T 3 S- 0 0 23 3,-0.3 2,-0.3 1,-0.1 -1,-0.3 0.117 130.8 -53.6-121.2 22.1 62.2 58.5 15.5 359 149 B G B < S-H 356 0D 15 -3,-1.3 -3,-3.2 1,-0.1 -4,-0.5 -0.999 84.2 -38.2 150.6-147.2 65.7 59.8 14.8 360 150 B N S S+ 0 0 122 -2,-0.3 2,-0.4 -5,-0.2 -1,-0.1 0.609 110.9 70.4 -94.4 -17.8 68.2 62.5 15.8 361 151 B D S S- 0 0 94 -3,-0.1 -3,-0.3 -5,-0.1 2,-0.3 -0.826 87.2-112.8-106.9 143.5 65.6 65.3 16.0 362 152 B L + 0 0 23 -2,-0.4 2,-0.2 -6,-0.1 -2,-0.1 -0.539 45.4 179.0 -70.5 130.1 62.9 65.7 18.7 363 153 B T >> - 0 0 7 -2,-0.3 4,-1.5 -4,-0.1 3,-0.9 -0.731 48.7 -90.9-125.9 176.3 59.6 65.3 17.0 364 154 B I H 3> S+ 0 0 0 -72,-2.4 4,-2.2 1,-0.3 5,-0.2 0.715 124.0 67.5 -62.1 -17.6 55.9 65.3 18.0 365 155 B A H 3> S+ 0 0 0 -73,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.924 100.0 47.1 -66.4 -43.1 56.4 61.6 18.6 366 156 B D H <> S+ 0 0 0 -3,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.873 110.4 53.0 -65.0 -37.2 58.8 62.4 21.4 367 157 B L H X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.905 112.4 44.0 -66.4 -40.2 56.3 64.8 22.8 368 158 B S H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 3,-0.4 0.965 116.4 46.1 -67.7 -50.2 53.5 62.2 22.8 369 159 B L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.832 111.3 53.5 -60.1 -34.7 55.8 59.5 24.2 370 160 B A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.802 106.3 51.8 -72.6 -29.2 57.1 61.9 26.9 371 161 B A H X S+ 0 0 0 -4,-1.3 4,-0.8 -3,-0.4 -2,-0.2 0.870 114.5 43.9 -73.2 -35.3 53.6 62.8 28.0 372 162 B T H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 3,-0.5 0.940 115.6 46.8 -72.2 -48.1 52.8 59.1 28.4 373 163 B I H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.3 -2,-0.2 0.823 104.8 59.7 -65.2 -34.6 56.1 58.3 30.1 374 164 B A H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.856 106.9 49.3 -62.9 -31.3 55.8 61.2 32.5 375 165 B T H X S+ 0 0 2 -4,-0.8 4,-1.2 -3,-0.5 -2,-0.2 0.913 107.9 52.5 -73.6 -40.4 52.7 59.5 33.6 376 166 B Y H <>S+ 0 0 0 -4,-1.7 5,-2.2 1,-0.2 3,-0.4 0.939 109.3 52.4 -56.3 -47.7 54.5 56.2 34.0 377 167 B E H ><5S+ 0 0 60 -4,-2.9 3,-2.7 1,-0.3 -2,-0.2 0.944 108.1 46.0 -55.6 -56.6 57.1 57.9 36.1 378 168 B V H 3<5S+ 0 0 17 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.727 106.9 62.8 -62.0 -18.4 54.7 59.5 38.6 379 169 B A T 3<5S- 0 0 29 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.532 122.0-110.3 -81.6 -7.0 53.0 56.1 38.7 380 170 B G T < 5 + 0 0 60 -3,-2.7 -3,-0.2 -4,-0.2 -2,-0.1 0.563 55.8 167.4 91.1 9.9 56.3 54.8 40.1 381 171 B F < - 0 0 32 -5,-2.2 2,-0.7 -6,-0.2 -1,-0.2 -0.277 35.7-125.2 -57.3 144.0 57.4 52.7 37.1 382 172 B D + 0 0 108 1,-0.1 -1,-0.1 2,-0.0 -5,-0.0 -0.829 28.6 178.0 -99.3 109.1 61.0 51.6 37.4 383 173 B F > + 0 0 23 -2,-0.7 3,-1.9 1,-0.2 7,-0.4 0.389 54.1 103.5 -88.9 2.5 63.1 52.6 34.4 384 174 B A T 3 S+ 0 0 77 1,-0.3 -1,-0.2 6,-0.1 6,-0.1 0.902 80.1 50.4 -51.8 -47.0 66.3 51.1 35.7 385 175 B P T 3 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.516 105.1 63.5 -72.2 -1.5 66.1 48.1 33.4 386 176 B Y <> + 0 0 35 -3,-1.9 4,-2.3 1,-0.1 3,-0.4 -0.620 58.3 168.9-124.6 73.0 65.6 50.4 30.4 387 177 B P H > S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.826 77.5 53.6 -52.4 -39.8 68.7 52.5 30.0 388 178 B N H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 110.8 46.5 -65.2 -40.6 67.8 53.9 26.6 389 179 B V H > S+ 0 0 0 -3,-0.4 4,-3.5 2,-0.2 5,-0.3 0.938 110.8 51.8 -65.9 -47.5 64.4 55.1 27.9 390 180 B A H X S+ 0 0 42 -4,-2.3 4,-1.9 -7,-0.4 -2,-0.2 0.920 114.7 43.1 -55.2 -46.6 65.9 56.7 31.0 391 181 B A H X S+ 0 0 40 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.966 116.2 46.4 -64.5 -54.3 68.4 58.6 28.8 392 182 B W H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.959 112.2 51.4 -50.7 -56.5 65.9 59.6 26.2 393 183 B F H X S+ 0 0 6 -4,-3.5 4,-2.1 1,-0.3 -1,-0.2 0.865 108.1 52.7 -50.3 -41.8 63.4 60.6 28.8 394 184 B A H X S+ 0 0 55 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.3 0.947 107.4 51.2 -61.3 -47.3 66.1 62.8 30.4 395 185 B R H X S+ 0 0 63 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.791 109.1 53.1 -60.6 -27.4 66.7 64.5 27.1 396 186 B C H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.885 103.7 53.3 -75.8 -40.1 63.0 65.1 26.8 397 187 B K H < S+ 0 0 85 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.830 117.4 41.0 -63.1 -28.6 62.7 66.8 30.2 398 188 B A H < S+ 0 0 78 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.689 128.3 24.4 -94.1 -20.2 65.5 69.1 29.1 399 189 B N H < S+ 0 0 94 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.2 0.590 86.4 107.2-122.3 -14.0 64.6 69.8 25.5 400 190 B A S >< S- 0 0 10 -4,-2.4 3,-1.7 -5,-0.2 -172,-0.1 -0.541 72.8-118.9 -73.3 121.7 60.9 69.4 25.0 401 191 B P T 3 S+ 0 0 47 0, 0.0 -170,-0.3 0, 0.0 -171,-0.2 -0.348 96.7 11.2 -59.0 136.9 59.1 72.7 24.6 402 192 B G T >> S+ 0 0 25 -172,-0.2 3,-1.6 -173,-0.1 4,-1.1 0.676 78.1 145.9 69.3 20.1 56.5 73.2 27.4 403 193 B Y H X> + 0 0 17 -3,-1.7 4,-2.9 1,-0.3 3,-0.7 0.873 64.2 67.9 -56.8 -35.0 57.8 70.3 29.5 404 194 B A H 3> S+ 0 0 79 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.828 98.6 51.3 -53.7 -32.5 56.9 72.2 32.6 405 195 B L H <> S+ 0 0 82 -3,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.841 110.5 49.0 -72.8 -33.2 53.3 71.9 31.7 406 196 B N H < S+ 0 0 117 -4,-2.1 3,-3.3 1,-0.2 -2,-0.2 0.919 97.8 66.3 -65.7 -43.9 48.5 66.6 39.3 413 203 B F H >< S+ 0 0 19 -4,-2.5 3,-2.9 1,-0.3 4,-0.4 0.833 81.6 76.4 -47.0 -36.6 47.6 63.2 38.0 414 204 B K G >X S+ 0 0 86 -4,-1.0 3,-1.2 -3,-0.4 4,-0.9 0.680 73.5 80.9 -51.5 -13.7 48.8 61.8 41.3 415 205 B A G <4 S+ 0 0 51 -3,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.460 96.9 44.5 -69.7 -0.4 45.5 63.1 42.5 416 206 B K G <4 S+ 0 0 63 -3,-2.9 -1,-0.3 -4,-0.1 -2,-0.2 0.380 114.5 48.4-116.8 -9.6 44.4 59.8 41.0 417 207 B F T <4 S+ 0 0 57 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.2 0.289 124.7 25.9-111.8 3.6 47.3 58.0 42.6 418 208 B L < 0 0 137 -4,-0.9 -3,-0.2 0, 0.0 -2,-0.1 0.566 360.0 360.0-127.5 -67.6 46.8 59.4 46.1 419 209 B S 0 0 155 -5,-0.4 -2,-0.1 0, 0.0 -4,-0.1 -0.495 360.0 360.0-117.7 360.0 43.2 60.4 46.9