==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-96 6GST . COMPND 2 MOLECULE: MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3 . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR G.XIAO,X.JI,R.N.ARMSTRONG,G.L.GILLILAND . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.1 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 0.9 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 . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 0 0 3 1 3 0 4 2 0 0 1 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 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 P 0 0 104 0, 0.0 64,-0.2 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0-176.6 -4.0 24.4 37.4 2 2 A M E -a 27 0A 11 24,-1.7 26,-2.7 62,-0.1 2,-0.5 -0.290 360.0-143.5 -70.0 147.3 -1.3 22.9 35.2 3 3 A I E -aB 28 63A 47 60,-1.9 60,-2.3 24,-0.2 2,-0.5 -0.955 13.5-171.1-121.6 121.7 2.1 22.2 36.7 4 4 A L E -aB 29 62A 0 24,-1.9 26,-2.2 -2,-0.5 2,-0.4 -0.929 8.4-170.2-104.0 130.9 5.3 22.7 34.7 5 5 A G E +aB 30 61A 0 56,-2.1 56,-1.6 -2,-0.5 2,-0.3 -0.897 24.0 123.7-125.3 144.3 8.5 21.4 36.3 6 6 A Y E -a 31 0A 22 24,-1.6 26,-2.3 -2,-0.4 5,-0.0 -0.917 60.9 -63.6-174.2 171.4 12.1 22.0 35.1 7 7 A W E -a 32 0A 35 24,-0.3 2,-1.3 -2,-0.3 26,-0.2 -0.111 55.5 -98.9 -63.1 163.6 15.4 23.5 36.4 8 8 A N S S+ 0 0 74 24,-1.8 2,-0.3 23,-0.2 -1,-0.1 -0.315 98.0 86.4 -86.2 53.9 15.7 27.1 37.4 9 9 A V S S- 0 0 12 -2,-1.3 198,-0.2 1,-0.2 199,-0.1 -0.827 86.4-116.3-142.5 168.5 17.3 27.8 33.9 10 10 A R > + 0 0 0 196,-1.9 3,-1.6 -2,-0.3 4,-0.4 0.966 65.6 136.2 -74.8 -51.6 16.1 28.6 30.4 11 11 A G T 3 S- 0 0 10 196,-2.3 3,-0.4 1,-0.2 -1,-0.1 -0.278 84.9 -31.0 43.0-129.1 17.6 25.3 29.1 12 12 A L T 3 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.256 126.3 77.7-105.2 15.0 15.1 23.7 26.7 13 13 A T X> + 0 0 0 -3,-1.6 4,-1.8 1,-0.2 3,-0.8 0.474 56.5 100.4-103.3 -3.0 11.9 24.9 28.3 14 14 A H H 3> S+ 0 0 0 -4,-0.4 4,-2.6 -3,-0.4 5,-0.2 0.932 83.9 53.1 -48.9 -49.0 11.8 28.5 27.0 15 15 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.820 107.9 49.9 -58.9 -27.3 9.3 27.6 24.3 16 16 A I H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.942 109.6 49.7 -77.1 -43.6 6.9 25.9 26.8 17 17 A R H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.961 114.0 47.3 -56.1 -47.0 6.9 28.9 29.2 18 18 A L H X S+ 0 0 1 -4,-2.6 4,-3.4 1,-0.2 -1,-0.2 0.902 110.6 51.0 -58.4 -48.5 6.2 31.1 26.2 19 19 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.800 108.4 51.7 -62.3 -40.2 3.4 28.8 24.9 20 20 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 -1,-0.2 0.903 115.5 43.1 -61.7 -34.0 1.7 28.7 28.4 21 21 A E H ><5S+ 0 0 26 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.934 111.2 52.3 -77.8 -46.0 1.8 32.6 28.5 22 22 A Y H 3<5S+ 0 0 63 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.725 112.8 47.1 -57.2 -32.9 0.7 33.1 24.9 23 23 A T T 3<5S- 0 0 20 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.342 108.6-121.5 -95.3 2.4 -2.3 30.8 25.4 24 24 A D T < 5 + 0 0 111 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.954 50.4 173.0 57.0 51.8 -3.4 32.4 28.7 25 25 A S < - 0 0 23 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.2 -0.596 35.5-123.3 -88.8 153.7 -3.1 29.0 30.5 26 26 A S + 0 0 87 -2,-0.2 -24,-1.7 -23,-0.0 2,-0.3 -0.905 52.9 146.8 -98.5 122.0 -3.4 28.7 34.3 27 27 A Y E -a 2 0A 35 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.967 39.2-154.2-161.1 149.0 -0.3 27.2 35.5 28 28 A E E -a 3 0A 102 -26,-2.7 -24,-1.9 -2,-0.3 2,-0.3 -0.789 22.4-143.1-120.9 153.7 2.2 27.0 38.4 29 29 A E E -a 4 0A 45 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.935 8.0-152.4-118.0 151.9 5.8 26.1 37.9 30 30 A K E -a 5 0A 75 -26,-2.2 -24,-1.6 -2,-0.3 2,-0.7 -0.999 15.9-164.7-125.8 116.0 8.2 24.1 40.1 31 31 A R E -a 6 0A 76 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.3 -0.953 9.2-151.1-105.0 103.2 11.7 25.3 39.4 32 32 A Y E -a 7 0A 0 -26,-2.3 -24,-1.8 -2,-0.7 2,-0.2 -0.622 7.0-147.5 -76.6 143.9 14.2 22.8 40.7 33 33 A A - 0 0 46 -2,-0.3 2,-0.3 -26,-0.2 11,-0.3 -0.683 6.5-149.5-104.0 156.1 17.6 24.2 41.8 34 34 A M - 0 0 28 -2,-0.2 8,-0.2 1,-0.1 7,-0.1 -0.938 22.1-107.1-125.2 151.7 20.9 22.2 41.5 35 35 A G - 0 0 22 6,-2.7 2,-0.2 -2,-0.3 175,-0.2 0.011 36.9-100.7 -67.5-179.1 24.0 22.5 43.8 36 36 A D >> - 0 0 106 1,-0.2 3,-0.8 4,-0.1 4,-0.6 -0.673 58.4 -45.8 -89.5 162.5 27.2 24.1 42.8 37 37 A A T 34 S+ 0 0 54 1,-0.3 -1,-0.2 -2,-0.2 4,-0.1 0.123 105.9 47.2 -51.8 162.2 30.4 22.3 41.7 38 38 A P T 34 S+ 0 0 117 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.999 134.8 8.9 -87.6 -5.5 32.1 20.1 42.3 39 39 A D T <4 S- 0 0 126 -3,-0.8 -2,-0.2 2,-0.0 -4,-0.1 0.361 79.9-147.0-114.4 -0.6 29.2 17.6 42.7 40 40 A Y < - 0 0 63 -4,-0.6 2,-0.2 1,-0.2 -3,-0.1 0.824 20.3-132.4 31.8 81.1 26.2 19.7 41.5 41 41 A D + 0 0 77 -5,-0.4 -6,-2.7 1,-0.1 3,-0.2 -0.397 31.2 176.3 -62.1 125.3 23.4 18.3 43.8 42 42 A R >> + 0 0 106 -8,-0.2 4,-2.3 -2,-0.2 3,-1.9 0.089 43.4 120.5-111.7 12.6 20.2 17.4 41.9 43 43 A S H 3> + 0 0 44 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.776 62.4 64.7 -53.9 -30.9 18.5 16.0 45.1 44 44 A Q H 34 S+ 0 0 83 -11,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.789 115.5 32.8 -58.4 -34.5 15.5 18.4 45.0 45 45 A W H X> S+ 0 0 6 -3,-1.9 3,-2.1 -12,-0.2 4,-1.4 0.869 115.4 56.7 -86.7 -50.6 14.5 16.7 41.7 46 46 A L H 3< S+ 0 0 76 -4,-2.3 4,-0.5 1,-0.3 3,-0.2 0.844 97.1 64.1 -52.0 -34.8 15.7 13.2 42.6 47 47 A N T 3< S+ 0 0 119 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.1 0.694 119.8 23.0 -63.6 -25.0 13.6 13.1 45.7 48 48 A E T X4 S+ 0 0 47 -3,-2.1 3,-1.7 -5,-0.2 4,-0.3 0.452 88.9 104.5-124.3 2.3 10.5 13.3 43.6 49 49 A K T 3< S+ 0 0 47 -4,-1.4 3,-0.5 1,-0.3 5,-0.3 0.844 94.4 34.3 -47.2 -45.1 11.5 12.0 40.2 50 50 A F T 3 S+ 0 0 127 -4,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.260 107.8 70.7-100.8 17.5 9.8 8.6 40.7 51 51 A K S < S+ 0 0 167 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.312 78.4 75.9-113.6 8.9 6.9 10.0 42.8 52 52 A L S S- 0 0 39 -3,-0.5 -1,-0.1 -4,-0.3 -2,-0.1 0.527 97.5-115.6 -97.8 -9.3 5.0 11.9 40.1 53 53 A G + 0 0 60 1,-0.3 2,-0.3 -3,-0.1 15,-0.1 0.719 61.6 154.5 82.9 14.7 3.2 9.1 38.2 54 54 A L - 0 0 16 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.671 45.1-140.6 -76.7 134.7 5.2 10.0 35.0 55 55 A D S S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.3 303,-0.1 0.937 97.9 14.9 -63.8 -48.1 5.7 7.2 32.4 56 56 A F S S- 0 0 3 2,-0.1 -1,-0.3 302,-0.0 2,-0.1 -0.908 93.8-136.4-130.7 92.0 9.3 8.1 31.6 57 57 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.354 47.6 126.4 -56.0 136.4 10.4 10.5 34.4 58 58 A N - 0 0 57 -9,-0.1 -2,-0.1 -2,-0.1 -4,-0.0 -0.940 54.3 -72.3-174.8 169.3 12.3 13.5 33.1 59 59 A L S S+ 0 0 19 -2,-0.3 -53,-0.2 1,-0.1 2,-0.1 -0.988 103.2 49.0-121.4 129.5 12.5 17.3 33.1 60 60 A P S S+ 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.389 74.6 164.7 -77.9 153.9 10.5 19.0 31.7 61 61 A Y E -BC 5 70A 3 -56,-1.6 -56,-2.1 9,-0.2 2,-0.4 -0.899 19.5-159.7-129.1 156.2 7.2 17.5 32.8 62 62 A L E -BC 4 69A 0 7,-2.1 7,-2.8 -2,-0.3 2,-0.5 -0.994 1.9-161.9-129.7 137.8 3.7 19.0 32.5 63 63 A I E +BC 3 68A 19 -60,-2.3 -60,-1.9 -2,-0.4 2,-0.5 -0.960 11.7 174.8-121.3 124.7 0.7 17.8 34.6 64 64 A D E > - C 0 67A 39 3,-3.5 3,-1.6 -2,-0.5 2,-0.2 -0.868 63.1 -80.5-130.6 83.1 -2.7 18.7 33.3 65 65 A G T 3 S+ 0 0 60 -2,-0.5 -1,-0.1 1,-0.3 -62,-0.0 -0.312 119.1 5.0 59.2-110.4 -5.0 16.9 35.7 66 66 A S T 3 S+ 0 0 109 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.876 119.2 82.6 -69.6 -46.3 -5.1 13.3 34.5 67 67 A R E < -C 64 0A 92 -3,-1.6 -3,-3.5 -4,-0.0 2,-0.5 -0.456 54.1-178.1 -65.8 121.8 -2.5 13.8 31.8 68 68 A K E -C 63 0A 66 -2,-0.3 2,-0.3 -5,-0.2 -13,-0.3 -1.000 10.9-176.1-127.0 124.6 1.1 13.7 32.7 69 69 A I E -C 62 0A 2 -7,-2.8 -7,-2.1 -2,-0.5 2,-0.3 -0.947 12.7-176.8-127.7 142.8 3.6 14.4 29.9 70 70 A T E +C 61 0A 2 -2,-0.3 4,-0.2 -9,-0.2 -9,-0.2 -0.827 51.0 67.4-126.6 169.8 7.4 14.3 29.5 71 71 A Q S >> S- 0 0 17 -11,-0.7 4,-1.8 -2,-0.3 3,-1.1 0.799 75.2-121.6 81.0 110.3 9.6 15.2 26.5 72 72 A S H 3> S+ 0 0 12 1,-0.3 4,-2.8 2,-0.2 5,-0.1 0.714 110.5 52.1 -45.2 -40.9 9.5 18.9 25.5 73 73 A N H 3> S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.862 108.8 51.2 -72.1 -36.6 8.2 18.3 22.0 74 74 A A H <> S+ 0 0 2 -3,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.855 112.2 46.2 -67.2 -41.4 5.3 16.2 23.3 75 75 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.945 112.0 52.7 -58.8 -48.5 4.4 19.0 25.8 76 76 A M H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.927 112.3 44.4 -56.3 -46.8 4.7 21.5 22.9 77 77 A R H X S+ 0 0 24 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.816 110.4 53.6 -68.2 -38.2 2.3 19.4 20.7 78 78 A Y H X S+ 0 0 5 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.941 112.5 44.5 -62.0 -46.9 -0.2 18.8 23.5 79 79 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.831 113.4 52.7 -63.9 -36.9 -0.4 22.6 24.1 80 80 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 -5,-0.2 4,-0.5 0.911 110.3 44.9 -64.2 -49.5 -0.6 23.1 20.3 81 81 A R H ><5S+ 0 0 44 -4,-2.5 3,-0.6 3,-0.2 -2,-0.2 0.893 111.9 53.7 -60.9 -44.8 -3.5 20.7 19.7 82 82 A K H 3<5S+ 0 0 92 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.921 120.0 32.3 -57.8 -42.9 -5.4 22.1 22.8 83 83 A H T 3<5S- 0 0 70 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.191 111.5-113.1-108.9 21.8 -5.1 25.7 21.5 84 84 A H T < 5S+ 0 0 160 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.868 71.2 135.7 45.2 52.5 -5.2 25.0 17.7 85 85 A L < + 0 0 18 -5,-2.5 69,-2.1 -8,-0.1 70,-0.3 -0.208 37.7 111.9-114.1 32.5 -1.7 26.1 16.9 86 86 A C S S- 0 0 43 -6,-0.4 7,-0.1 67,-0.2 6,-0.0 -0.719 82.7 -86.6 -98.6 152.3 -0.9 23.1 14.7 87 87 A G - 0 0 12 -2,-0.2 -1,-0.1 5,-0.2 -2,-0.1 -0.355 35.2-152.7 -59.3 155.0 -0.4 23.4 10.9 88 88 A E S S+ 0 0 118 -3,-0.0 2,-0.2 -4,-0.0 -1,-0.1 0.773 72.4 37.6-100.0 -34.2 -3.8 23.2 9.1 89 89 A T S > S- 0 0 69 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.679 92.6-101.9-112.9 171.8 -2.8 21.8 5.7 90 90 A E H > S+ 0 0 36 -2,-0.2 4,-2.7 2,-0.2 5,-0.3 0.885 120.1 54.4 -59.5 -47.9 -0.2 19.1 4.8 91 91 A E H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 110.5 46.3 -54.3 -47.1 2.4 21.7 3.7 92 92 A E H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 111.0 54.3 -61.3 -44.2 2.1 23.5 7.0 93 93 A R H X S+ 0 0 85 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.914 110.1 44.8 -60.1 -38.8 2.4 20.1 8.8 94 94 A I H X S+ 0 0 19 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.882 111.9 51.1 -72.2 -46.2 5.7 19.1 7.0 95 95 A R H X S+ 0 0 36 -4,-1.8 4,-2.2 -5,-0.3 5,-0.3 0.979 112.2 50.1 -55.9 -45.2 7.3 22.6 7.5 96 96 A A H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.937 110.8 46.9 -58.2 -54.8 6.3 22.2 11.3 97 97 A D H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.861 113.4 48.4 -50.7 -52.7 7.8 18.7 11.7 98 98 A I H X S+ 0 0 4 -4,-2.1 4,-3.4 -5,-0.2 -1,-0.2 0.939 113.8 46.3 -55.9 -55.6 11.1 19.6 9.9 99 99 A V H X S+ 0 0 0 -4,-2.2 4,-3.8 2,-0.2 5,-0.3 0.921 109.4 53.7 -58.2 -44.0 11.6 22.8 12.0 100 100 A E H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.956 116.8 39.2 -56.0 -45.1 10.8 21.1 15.2 101 101 A N H X S+ 0 0 10 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.916 113.6 52.4 -75.1 -43.0 13.5 18.6 14.4 102 102 A Q H X S+ 0 0 15 -4,-3.4 4,-2.5 1,-0.2 5,-0.3 0.906 107.6 55.5 -59.9 -40.1 16.0 21.0 12.9 103 103 A V H X S+ 0 0 2 -4,-3.8 4,-1.9 1,-0.2 -1,-0.2 0.954 105.5 50.2 -55.6 -51.4 15.6 23.1 16.1 104 104 A M H X S+ 0 0 41 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.901 110.9 49.7 -57.8 -43.9 16.5 20.1 18.4 105 105 A D H X S+ 0 0 54 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.930 111.4 47.1 -61.0 -50.1 19.7 19.4 16.3 106 106 A N H X S+ 0 0 4 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.765 114.1 50.4 -60.0 -29.4 20.9 23.0 16.3 107 107 A R H X S+ 0 0 7 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.863 108.9 49.8 -76.5 -41.5 20.2 23.0 20.1 108 108 A M H X S+ 0 0 71 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.907 107.0 56.4 -64.5 -40.8 22.1 19.8 20.7 109 109 A Q H X S+ 0 0 77 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.894 110.9 43.0 -57.3 -43.5 25.1 21.3 18.7 110 110 A L H X S+ 0 0 1 -4,-1.0 4,-3.1 2,-0.2 -2,-0.2 0.878 112.5 52.3 -68.5 -45.7 25.3 24.3 21.1 111 111 A I H X S+ 0 0 40 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.959 108.9 51.6 -55.9 -47.4 24.8 22.2 24.2 112 112 A M H >< S+ 0 0 106 -4,-2.6 3,-0.6 2,-0.2 -2,-0.2 0.863 112.2 45.5 -63.0 -38.7 27.7 19.9 23.1 113 113 A L H >< S+ 0 0 11 -4,-1.5 3,-1.9 1,-0.2 -1,-0.2 0.971 113.4 50.5 -63.0 -57.0 30.0 22.9 22.6 114 114 A C H 3< S+ 0 0 0 -4,-3.1 99,-3.0 1,-0.3 100,-0.6 0.493 110.6 47.3 -59.6 -10.6 29.0 24.4 25.9 115 115 A Y T << S+ 0 0 84 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.1 0.049 85.4 108.5-117.6 19.7 29.6 21.3 28.0 116 116 A N X - 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0 0 42 -3,-1.7 3,-1.7 1,-0.1 6,-0.1 -0.855 67.2-136.8 -98.1 133.1 33.0 7.0 22.7 335 117 B P T 3 S+ 0 0 110 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.704 105.5 51.0 -59.3 -20.5 36.8 6.5 22.7 336 118 B D T >> + 0 0 82 1,-0.2 4,-1.7 2,-0.1 3,-0.7 -0.093 68.1 140.8-114.3 35.5 36.4 4.7 26.0 337 119 B F H <> S+ 0 0 9 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.680 70.1 51.1 -43.6 -38.9 33.7 2.3 24.9 338 120 B E H 34 S+ 0 0 139 2,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.873 111.6 45.9 -76.2 -36.9 35.1 -0.7 26.9 339 121 B K H <4 S+ 0 0 136 -3,-0.7 4,-0.5 1,-0.2 -2,-0.2 0.729 116.9 51.0 -65.0 -36.1 35.5 1.2 30.1 340 122 B Q H X S+ 0 0 81 -4,-1.7 4,-1.2 2,-0.1 3,-0.4 0.868 88.8 73.3 -81.8 -36.2 32.0 2.4 29.3 341 123 B K H >X S+ 0 0 46 -4,-2.4 3,-2.7 1,-0.2 4,-2.6 0.903 92.1 58.8 -40.0 -69.1 30.0 -0.8 28.6 342 124 B P H 3> S+ 0 0 78 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.706 112.3 34.5 -27.3 -64.9 29.9 -1.8 32.3 343 125 B E H 34 S+ 0 0 119 -4,-0.5 4,-0.3 -3,-0.4 -2,-0.2 0.531 117.9 55.1 -71.2 -20.6 28.1 1.2 33.8 344 126 B F H << S+ 0 0 26 -3,-2.7 3,-0.5 -4,-1.2 4,-0.5 0.806 106.3 50.5 -83.7 -36.9 26.0 1.7 30.7 345 127 B L H < S+ 0 0 41 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.678 100.5 62.3 -75.0 -20.8 24.7 -1.9 30.9 346 128 B K S < S+ 0 0 128 -4,-0.8 4,-0.3 -5,-0.3 -1,-0.2 0.790 104.5 53.1 -70.4 -25.1 23.7 -1.5 34.5 347 129 B T S > S+ 0 0 51 -3,-0.5 4,-1.4 -4,-0.3 3,-0.4 0.613 88.4 76.6 -81.8 -24.3 21.4 1.1 33.2 348 130 B I H > S+ 0 0 2 -4,-0.5 4,-3.1 -3,-0.4 5,-0.2 0.818 84.5 62.8 -55.5 -40.5 19.5 -0.8 30.5 349 131 B P H > S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.887 105.4 46.7 -58.4 -37.6 17.3 -2.8 32.9 350 132 B E H > S+ 0 0 114 -3,-0.4 4,-1.8 -4,-0.3 -2,-0.2 0.887 110.7 52.0 -77.1 -30.5 15.6 0.4 34.1 351 133 B K H X S+ 0 0 38 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.924 112.1 46.9 -66.7 -43.2 15.2 1.7 30.5 352 134 B M H X S+ 0 0 0 -4,-3.1 4,-3.7 2,-0.2 -2,-0.2 0.924 107.9 56.5 -65.0 -42.0 13.5 -1.6 29.5 353 135 B K H X S+ 0 0 61 -4,-2.3 4,-4.1 1,-0.3 5,-0.3 0.929 105.8 50.7 -51.0 -49.2 11.2 -1.5 32.6 354 136 B L H X S+ 0 0 44 -4,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.898 114.2 43.8 -60.8 -42.0 9.9 1.8 31.6 355 137 B Y H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.936 114.0 52.2 -64.7 -50.1 9.2 0.4 28.1 356 138 B S H X S+ 0 0 16 -4,-3.7 4,-1.7 1,-0.2 -2,-0.2 0.955 113.2 41.5 -50.2 -52.3 7.7 -2.7 29.6 357 139 B E H < S+ 0 0 125 -4,-4.1 -1,-0.2 1,-0.2 -2,-0.2 0.831 111.0 56.4 -72.0 -33.7 5.3 -0.9 32.0 358 140 B F H < S+ 0 0 6 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.900 111.3 42.5 -60.1 -49.1 4.3 1.7 29.4 359 141 B L H >< S+ 0 0 1 -4,-2.5 3,-2.2 1,-0.2 -1,-0.2 0.837 84.0 163.5 -61.4 -41.8 3.2 -0.9 26.9 360 142 B G T 3< S- 0 0 26 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.302 71.6 -26.8 57.7-120.7 1.5 -3.0 29.6 361 143 B K T 3 S+ 0 0 205 -3,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 0.308 104.4 117.5-103.3 -8.4 -0.9 -5.5 28.0 362 144 B R < - 0 0 90 -3,-2.2 6,-0.1 1,-0.1 3,-0.1 -0.367 64.7-136.8 -61.3 149.9 -1.6 -3.5 24.8 363 145 B P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.766 86.5 30.3 -79.7 -25.6 -0.5 -5.2 21.6 364 146 B W S S- 0 0 25 3,-1.3 5,-0.1 -5,-0.1 6,-0.1 -0.931 86.5-108.8-138.0 155.2 1.0 -1.9 20.2 365 147 B F S S+ 0 0 0 -2,-0.3 5,-0.1 1,-0.2 -3,-0.1 0.652 113.8 32.0 -57.4 -35.0 2.5 1.3 21.7 366 148 B A S S- 0 0 3 3,-0.5 -1,-0.2 -53,-0.1 2,-0.2 0.669 123.7 -89.9 -96.4 -25.2 -0.2 3.9 21.1 367 149 B G S S+ 0 0 8 2,-0.5 -3,-1.3 -54,-0.1 4,-0.1 -0.725 83.1 1.3 166.0-120.3 -3.0 1.4 21.4 368 150 B D S S+ 0 0 141 -2,-0.2 2,-0.4 -5,-0.1 -3,-0.1 0.150 115.4 55.2 -89.3 -3.2 -5.2 -1.0 19.5 369 151 B K S S- 0 0 51 -5,-0.1 -3,-0.5 -66,-0.0 -2,-0.5 -0.994 87.2-107.0-141.2 147.1 -3.5 -0.3 16.2 370 152 B V + 0 0 17 -2,-0.4 2,-0.3 -4,-0.1 -2,-0.1 -0.599 45.0 176.4 -62.1 134.3 -0.0 -0.3 14.8 371 153 B T >> - 0 0 1 -2,-0.3 3,-1.6 -4,-0.1 4,-0.6 -0.770 48.7 -87.7-134.7 174.9 1.1 3.3 14.3 372 154 B Y H >> S+ 0 0 3 -69,-2.0 4,-1.2 1,-0.3 3,-0.7 0.729 120.4 67.4 -59.9 -28.1 4.5 4.7 13.1 373 155 B V H 3> S+ 0 0 0 1,-0.3 4,-3.1 -70,-0.2 -1,-0.3 0.674 88.2 64.8 -72.1 -20.3 5.9 4.6 16.7 374 156 B D H <> S+ 0 0 0 -3,-1.6 4,-2.6 2,-0.2 -1,-0.3 0.826 101.5 51.4 -64.8 -37.8 5.9 0.8 16.7 375 157 B F H < - 0 0 47 -4,-1.5 3,-2.4 1,-0.1 4,-0.3 -0.700 68.4-164.7-153.5 81.7 22.7 -7.0 25.4 389 171 B P T 3 S+ 0 0 83 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.725 90.4 42.8 -44.2 -31.5 21.2 -10.3 24.4 390 172 B K T > S+ 0 0 152 1,-0.2 3,-2.9 2,-0.1 4,-0.4 0.542 79.4 105.1 -95.7 -5.8 19.6 -10.9 27.8 391 173 B C T < S+ 0 0 16 -3,-2.4 -1,-0.2 1,-0.3 -39,-0.1 0.643 88.3 41.4 -51.7 -18.9 18.4 -7.3 28.5 392 174 B L T > S+ 0 0 0 -3,-0.3 3,-1.3 -4,-0.3 7,-0.4 0.235 78.4 99.9-114.6 2.5 14.9 -8.5 27.8 393 175 B D T < S+ 0 0 71 -3,-2.9 -2,-0.1 1,-0.3 -1,-0.1 0.948 87.9 52.2 -61.4 -37.6 14.6 -11.9 29.5 394 176 B A T 3 S+ 0 0 76 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.364 104.1 60.0 -71.3 -6.8 12.8 -10.1 32.4 395 177 B F X> + 0 0 30 -3,-1.3 4,-1.9 1,-0.1 3,-1.5 -0.650 54.3 171.9-129.2 79.2 10.2 -8.4 30.1 396 178 B P H 3> S+ 0 0 84 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.807 79.3 61.5 -56.0 -36.1 8.2 -11.0 28.2 397 179 B N H 34 S+ 0 0 36 2,-0.2 4,-0.5 1,-0.2 -2,-0.0 0.804 105.4 46.0 -65.2 -26.0 5.8 -8.3 26.9 398 180 B L H X> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 3,-1.0 0.951 114.4 46.8 -76.3 -57.8 8.7 -6.6 25.1 399 181 B K H 3X S+ 0 0 86 -4,-1.9 4,-1.1 -7,-0.4 -2,-0.2 0.838 112.2 51.9 -51.6 -39.3 10.0 -9.8 23.6 400 182 B D H 3X S+ 0 0 99 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.3 0.700 108.2 52.4 -65.3 -30.2 6.3 -10.6 22.7 401 183 B F H <> S+ 0 0 0 -3,-1.0 4,-2.0 -4,-0.5 -2,-0.2 0.905 104.5 54.8 -71.9 -45.3 6.2 -7.2 21.0 402 184 B L H X S+ 0 0 15 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.727 112.3 43.8 -60.6 -25.4 9.3 -7.9 18.9 403 185 B A H X S+ 0 0 68 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.765 111.0 52.2 -93.6 -29.1 7.7 -11.2 17.6 404 186 B R H < S+ 0 0 86 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.903 115.1 44.7 -66.5 -42.9 4.3 -9.6 16.9 405 187 B F H >< S+ 0 0 0 -4,-2.0 3,-1.6 2,-0.2 -2,-0.2 0.907 111.3 50.1 -65.6 -51.5 6.2 -6.9 14.9 406 188 B E H 3< S+ 0 0 60 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.795 107.4 60.0 -63.9 -17.3 8.5 -9.3 13.1 407 189 B G T 3< S+ 0 0 52 -4,-1.2 -1,-0.3 4,-0.1 -2,-0.2 0.479 70.6 116.5 -92.9 -1.5 5.3 -11.2 12.2 408 190 B L S <> S- 0 0 31 -3,-1.6 4,-1.8 1,-0.1 5,-0.2 -0.359 76.9-116.4 -62.8 146.6 3.5 -8.5 10.3 409 191 B K H > S+ 0 0 159 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.889 108.2 41.3 -61.6 -52.5 3.2 -9.8 6.7 410 192 B K H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.734 114.1 58.0 -70.0 -20.4 5.3 -7.4 4.7 411 193 B I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.842 101.6 49.3 -73.5 -44.6 7.9 -7.4 7.4 412 194 B S H X S+ 0 0 42 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.927 115.1 47.8 -63.8 -39.4 8.7 -11.1 7.6 413 195 B A H >< S+ 0 0 42 -4,-1.2 3,-1.1 2,-0.2 -2,-0.2 0.932 109.3 51.3 -64.5 -46.9 9.1 -11.0 3.8 414 196 B Y H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.3 6,-0.5 0.852 104.3 59.8 -63.2 -42.2 11.3 -7.9 3.9 415 197 B M H 3< S+ 0 0 50 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.732 105.4 47.2 -59.0 -26.3 13.6 -9.5 6.5 416 198 B K T << S+ 0 0 177 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.338 102.0 98.1 -95.6 12.7 14.4 -12.5 4.1 417 199 B S S < S- 0 0 33 -3,-2.0 3,-0.5 -4,-0.1 -3,-0.0 -0.338 84.0-114.0-101.1 174.0 15.1 -10.1 1.2 418 200 B S S S+ 0 0 116 1,-0.2 -3,-0.1 -2,-0.1 -4,-0.1 0.626 113.0 60.6 -74.3 -25.9 18.1 -8.4 -0.5 419 201 B R S S+ 0 0 102 -5,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.659 80.0 110.3 -73.4 -23.4 17.0 -5.0 0.6 420 202 B Y + 0 0 55 -6,-0.5 2,-0.3 -3,-0.5 -5,-0.1 -0.314 39.6 175.5 -63.1 130.4 17.3 -5.9 4.4 421 203 B L + 0 0 17 -2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.710 16.6 153.3-136.0 94.1 20.0 -4.3 6.3 422 204 B S + 0 0 33 -2,-0.3 -194,-0.1 1,-0.2 -1,-0.1 0.818 57.7 70.0 -93.5 -26.6 20.1 -5.0 10.1 423 205 B T + 0 0 75 -195,-0.1 -1,-0.2 -196,-0.1 2,-0.1 -0.966 66.1 47.9-145.4 156.9 23.9 -4.5 10.5 424 206 B P - 0 0 26 0, 0.0 -196,-2.4 0, 0.0 10,-0.2 0.550 61.2-172.1 -67.2 161.1 26.2 -2.7 10.6 425 207 B I + 0 0 0 8,-1.4 -196,-3.7 -198,-0.2 9,-0.2 0.922 63.2 22.6 -85.3 -50.7 24.5 -0.2 12.9 426 208 B F S S- 0 0 11 7,-2.1 -198,-0.1 6,-0.4 -97,-0.0 -0.498 91.8 -79.5-108.8 176.1 27.0 2.7 12.8 427 209 B S > - 0 0 19 -2,-0.2 3,-1.1 1,-0.1 -1,-0.2 -0.052 51.2 -97.4 -69.4 175.4 29.9 4.0 10.7 428 210 B K T 3 S+ 0 0 85 1,-0.2 -1,-0.1 -176,-0.1 6,-0.1 0.487 122.5 77.0 -74.4 -1.8 33.4 2.3 10.7 429 211 B L T 3 S+ 0 0 78 3,-0.0 -1,-0.2 -171,-0.0 5,-0.1 0.832 81.1 86.5 -70.9 -35.2 34.0 5.3 13.1 430 212 B A S < S- 0 0 7 -3,-1.1 -97,-0.2 2,-0.1 3,-0.1 0.301 72.0-143.8 -51.9-179.0 32.1 3.3 15.8 431 213 B Q S S+ 0 0 84 -99,-0.7 2,-0.4 1,-0.2 -98,-0.1 0.142 87.6 55.2-128.0 -7.4 33.6 0.8 18.2 432 214 B W S S- 0 0 45 -100,-0.1 -6,-0.4 1,-0.1 -1,-0.2 -0.998 122.0 -10.7-143.9 133.9 30.4 -1.2 18.0 433 215 B S S S+ 0 0 21 -2,-0.4 -7,-2.1 1,-0.1 -8,-1.4 0.883 88.7 136.1 47.1 50.4 28.4 -2.7 15.2 434 216 B N 0 0 36 -9,-0.2 -1,-0.1 -10,-0.2 -4,-0.1 0.202 360.0 360.0-103.2 -5.7 30.7 -0.6 13.0 435 217 B K 0 0 218 -7,-0.0 -10,-0.2 0, 0.0 -9,-0.1 -0.942 360.0 360.0-137.5 360.0 31.4 -3.3 10.3