==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-96 6GSU . 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) . 19627.0 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 . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 40.6 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 2 0 0 2 1 3 0 2 4 0 0 0 2 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 0 102 0, 0.0 64,-0.3 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 174.1 -3.8 24.6 37.2 2 2 A M E -a 27 0A 13 24,-2.5 26,-2.7 62,-0.1 2,-0.5 -0.386 360.0-140.7 -73.4 152.9 -1.2 22.9 35.0 3 3 A I E -aB 28 63A 37 60,-2.3 60,-2.6 24,-0.2 2,-0.5 -0.996 11.5-163.4-123.0 122.5 2.1 22.3 36.6 4 4 A L E -aB 29 62A 0 24,-2.5 26,-3.0 -2,-0.5 2,-0.4 -0.925 8.0-165.1-102.9 124.8 5.3 22.7 34.6 5 5 A G E +aB 30 61A 0 56,-2.7 56,-1.4 -2,-0.5 2,-0.3 -0.909 27.2 123.4-113.5 132.5 8.5 21.2 36.1 6 6 A Y E -a 31 0A 22 24,-2.0 26,-2.5 -2,-0.4 5,-0.0 -0.955 60.0 -69.7-168.4 172.6 12.1 22.0 35.0 7 7 A W E -a 32 0A 36 -2,-0.3 2,-1.1 24,-0.2 26,-0.2 -0.268 53.9-101.7 -67.8 167.5 15.4 23.3 36.2 8 8 A N S S+ 0 0 65 24,-2.1 2,-0.3 23,-0.2 -1,-0.1 -0.240 97.8 85.2 -87.3 50.0 15.7 26.9 37.3 9 9 A V S S- 0 0 14 -2,-1.1 198,-0.2 1,-0.1 4,-0.2 -0.871 87.8-115.0-135.8 169.2 17.4 27.7 33.9 10 10 A R >> + 0 0 0 196,-2.7 3,-2.0 -2,-0.3 4,-0.5 0.975 67.3 135.2 -74.6 -50.5 16.1 28.6 30.5 11 11 A G T 34 S- 0 0 8 196,-2.0 -1,-0.2 195,-0.3 3,-0.1 -0.241 86.1 -32.9 43.4-121.5 17.5 25.4 29.0 12 12 A L T 34 S+ 0 0 44 -3,-0.1 -1,-0.3 1,-0.1 4,-0.3 0.215 125.7 81.5-112.2 11.7 14.9 23.8 26.7 13 13 A A T <> + 0 0 0 -3,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.415 65.2 92.9 -89.5 -7.9 11.8 24.9 28.7 14 14 A H H X S+ 0 0 0 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.933 83.7 48.2 -54.0 -54.6 11.8 28.3 27.2 15 15 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.786 112.3 51.4 -57.7 -36.4 9.4 27.5 24.3 16 16 A I H > S+ 0 0 1 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.911 109.9 46.9 -68.6 -44.3 7.0 25.9 26.8 17 17 A R H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.918 114.4 48.9 -58.8 -46.5 6.9 28.8 29.2 18 18 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.825 112.5 48.1 -60.2 -41.8 6.4 31.2 26.3 19 19 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 6,-0.2 0.897 108.4 52.2 -70.1 -38.4 3.6 29.0 24.9 20 20 A L H <>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 -1,-0.2 0.831 115.3 45.6 -61.8 -32.1 1.8 28.7 28.3 21 21 A E H ><5S+ 0 0 26 -4,-1.5 3,-1.8 -5,-0.2 -2,-0.2 0.941 110.1 50.1 -77.2 -48.4 2.0 32.5 28.4 22 22 A Y H 3<5S+ 0 0 67 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.756 112.3 50.6 -59.5 -28.7 0.8 33.1 24.8 23 23 A T T 3<5S- 0 0 18 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.302 105.8-123.9 -91.2 0.2 -2.2 30.8 25.4 24 24 A D T < 5 + 0 0 110 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.777 50.3 173.1 55.3 30.3 -3.3 32.4 28.7 25 25 A S < - 0 0 20 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.2 -0.408 36.8-123.0 -67.8 147.5 -3.0 28.9 30.3 26 26 A S + 0 0 89 -3,-0.1 -24,-2.5 -2,-0.1 2,-0.3 -0.892 52.8 153.1 -90.5 110.8 -3.4 28.6 34.0 27 27 A Y E -a 2 0A 38 -2,-0.7 2,-0.3 -26,-0.3 -24,-0.2 -0.978 37.1-155.1-148.0 153.7 -0.2 27.1 35.2 28 28 A E E -a 3 0A 100 -26,-2.7 -24,-2.5 -2,-0.3 2,-0.4 -0.889 21.9-142.7-123.5 148.7 2.2 26.8 38.2 29 29 A E E -a 4 0A 47 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.954 11.4-158.5-122.2 149.0 5.9 26.1 37.9 30 30 A K E -a 5 0A 76 -26,-3.0 -24,-2.0 -2,-0.4 2,-0.7 -0.994 13.7-167.7-121.4 112.7 8.3 24.0 39.9 31 31 A R E -a 6 0A 72 -2,-0.5 -24,-0.2 -26,-0.2 2,-0.2 -0.923 11.6-151.5-105.8 99.7 11.9 25.2 39.2 32 32 A Y E -a 7 0A 0 -26,-2.5 -24,-2.1 -2,-0.7 2,-0.3 -0.511 9.9-138.5 -75.8 138.4 14.3 22.7 40.6 33 33 A A - 0 0 42 -26,-0.2 11,-0.4 -2,-0.2 2,-0.4 -0.799 6.9-148.0 -97.8 145.3 17.7 24.1 41.7 34 34 A M - 0 0 22 -2,-0.3 8,-0.2 10,-0.1 7,-0.1 -0.872 21.6-120.0-107.8 145.5 20.9 22.3 41.1 35 35 A G - 0 0 25 6,-2.3 175,-0.2 -2,-0.4 2,-0.1 -0.191 33.6 -98.7 -76.6 169.8 23.8 22.7 43.5 36 36 A D > - 0 0 108 1,-0.2 4,-2.2 4,-0.1 5,-0.5 -0.328 59.0 -32.6 -81.6 174.8 27.2 24.1 42.5 37 37 A A T 4 S+ 0 0 57 1,-0.3 -1,-0.2 2,-0.2 2,-0.1 -0.122 109.0 28.9 -62.3 156.2 30.5 22.4 41.6 38 38 A P T 4 S+ 0 0 121 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.985 133.8 22.0 -90.2 -11.4 32.0 20.0 42.3 39 39 A D T 4 S- 0 0 120 -3,-0.5 -2,-0.2 -2,-0.1 3,-0.2 0.754 76.3-156.1 -82.4 -31.9 29.0 17.7 43.2 40 40 A Y < - 0 0 65 -4,-2.2 -3,-0.1 1,-0.2 -4,-0.1 0.917 23.6-139.9 52.0 56.0 26.2 19.6 41.3 41 41 A D - 0 0 73 -5,-0.5 -6,-2.3 -7,-0.1 3,-0.2 -0.163 29.6-179.6 -52.4 127.2 23.6 18.2 43.6 42 42 A R >> + 0 0 112 -8,-0.2 4,-2.6 -3,-0.2 3,-1.2 0.130 42.7 121.0-111.7 15.0 20.3 17.2 41.8 43 43 A S H 3> + 0 0 45 1,-0.3 4,-2.9 2,-0.2 -1,-0.1 0.737 62.9 65.4 -53.4 -31.1 18.5 16.0 45.0 44 44 A Q H 34 S+ 0 0 79 -11,-0.4 -1,-0.3 -3,-0.2 4,-0.1 0.871 116.2 30.5 -63.5 -34.0 15.5 18.4 44.7 45 45 A W H X> S+ 0 0 6 -3,-1.2 3,-2.5 -12,-0.2 4,-1.5 0.906 118.0 55.1 -85.0 -52.3 14.5 16.6 41.5 46 46 A L H 3< S+ 0 0 74 -4,-2.6 4,-0.4 1,-0.3 -2,-0.2 0.803 97.5 66.0 -54.1 -35.7 15.8 13.2 42.4 47 47 A N T 3< S+ 0 0 125 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.1 0.721 120.4 19.2 -56.3 -25.5 13.7 13.2 45.6 48 48 A E T X4 S+ 0 0 46 -3,-2.5 3,-2.3 -5,-0.1 4,-0.4 0.442 88.8 108.5-126.6 -1.9 10.6 13.2 43.5 49 49 A K T 3< S+ 0 0 46 -4,-1.5 3,-0.4 1,-0.3 5,-0.3 0.793 92.6 34.9 -41.3 -45.1 11.6 11.9 40.1 50 50 A F T 3 S+ 0 0 142 -4,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.195 109.1 68.2-101.2 14.4 9.8 8.6 40.6 51 51 A K S < S+ 0 0 169 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.292 78.8 74.5-112.4 6.6 6.9 9.9 42.7 52 52 A L S S- 0 0 32 -4,-0.4 -1,-0.1 -3,-0.4 -2,-0.1 0.308 99.9-115.9-101.4 0.8 5.0 12.0 40.1 53 53 A G + 0 0 56 1,-0.2 2,-0.3 -3,-0.1 15,-0.1 0.726 57.5 159.0 70.2 24.0 3.4 9.1 38.2 54 54 A L - 0 0 17 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.631 42.5-140.0 -80.3 142.1 5.3 9.9 34.9 55 55 A D S S+ 0 0 77 1,-0.3 -1,-0.1 -2,-0.3 303,-0.1 0.874 100.4 15.7 -61.4 -48.3 5.6 7.1 32.4 56 56 A F S S- 0 0 2 2,-0.0 -1,-0.3 302,-0.0 15,-0.1 -0.811 95.5-134.4-131.3 87.7 9.2 8.1 31.5 57 57 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.139 47.2 129.8 -49.3 127.2 10.4 10.4 34.3 58 58 A N - 0 0 55 -9,-0.1 -2,-0.0 13,-0.0 -4,-0.0 -0.982 50.6 -76.1-166.5 171.9 12.1 13.5 32.9 59 59 A L S S+ 0 0 18 -2,-0.3 -53,-0.2 11,-0.1 2,-0.2 -0.996 102.6 44.4-126.7 128.3 12.4 17.3 33.0 60 60 A P S S+ 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.572 77.0 168.7 -79.7 166.5 10.6 19.1 31.7 61 61 A Y E -BC 5 70A 3 -56,-1.4 -56,-2.7 9,-0.2 2,-0.4 -0.934 21.2-153.7-137.2 150.3 7.2 17.6 32.6 62 62 A L E -BC 4 69A 0 7,-2.3 7,-2.9 -2,-0.3 2,-0.5 -0.997 4.3-164.6-121.8 130.2 3.7 18.9 32.3 63 63 A I E +BC 3 68A 25 -60,-2.6 -60,-2.3 -2,-0.4 2,-0.4 -0.983 12.7 172.3-112.3 116.5 0.9 17.8 34.6 64 64 A D E > - C 0 67A 33 3,-3.5 3,-2.0 -2,-0.5 2,-0.5 -0.785 64.1 -66.8-129.6 88.3 -2.6 18.7 33.2 65 65 A G T 3 S- 0 0 60 -2,-0.4 -1,-0.0 -64,-0.3 0, 0.0 -0.608 119.9 -12.2 69.7-117.4 -5.2 17.1 35.4 66 66 A S T 3 S+ 0 0 108 -2,-0.5 2,-0.5 -3,-0.1 -1,-0.3 0.437 118.9 97.9 -93.0 -2.7 -4.8 13.3 34.9 67 67 A R E < -C 64 0A 95 -3,-2.0 -3,-3.5 2,-0.0 2,-0.4 -0.805 51.7-175.9 -92.7 125.6 -2.5 13.9 31.8 68 68 A K E -C 63 0A 71 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.989 6.9-175.6-121.6 125.3 1.2 13.6 32.6 69 69 A I E +C 62 0A 2 -7,-2.9 -7,-2.3 -2,-0.4 2,-0.3 -0.987 10.8 177.5-126.1 141.5 3.6 14.4 29.8 70 70 A T E +C 61 0A 4 -2,-0.4 -9,-0.2 -9,-0.2 250,-0.1 -0.830 48.8 71.9-129.9 165.0 7.4 14.3 29.5 71 71 A Q S >> S- 0 0 15 -11,-0.8 4,-2.0 -2,-0.3 3,-0.6 0.719 74.4-124.4 87.6 113.1 9.5 15.0 26.4 72 72 A S H 3> S+ 0 0 11 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.858 110.6 50.8 -54.8 -43.0 9.7 18.8 25.6 73 73 A N H 3> S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.861 109.8 50.3 -62.3 -40.8 8.4 18.3 22.0 74 74 A A H <> S+ 0 0 2 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.854 110.1 50.1 -62.4 -44.1 5.5 16.2 23.2 75 75 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.948 111.8 48.6 -60.0 -47.2 4.6 18.9 25.8 76 76 A M H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.925 112.5 48.7 -58.2 -47.5 4.8 21.5 22.9 77 77 A R H X S+ 0 0 19 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.843 109.9 50.4 -62.1 -42.3 2.6 19.3 20.7 78 78 A Y H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.933 112.7 46.2 -57.6 -49.7 -0.1 18.8 23.4 79 79 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.854 112.2 52.8 -64.3 -34.5 -0.4 22.5 24.2 80 80 A A H X>S+ 0 0 0 -4,-2.2 5,-3.7 -5,-0.2 4,-0.6 0.849 109.0 47.8 -68.8 -43.2 -0.5 23.2 20.4 81 81 A R H ><5S+ 0 0 48 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.896 110.9 51.9 -67.1 -38.8 -3.4 20.7 19.8 82 82 A K H 3<5S+ 0 0 90 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.817 119.7 35.4 -65.2 -31.0 -5.3 22.1 22.8 83 83 A H H 3<5S- 0 0 65 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.316 110.4-113.5-109.1 5.1 -5.0 25.7 21.4 84 84 A H T <<5S+ 0 0 157 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.889 71.1 137.3 63.6 42.0 -5.2 25.0 17.7 85 85 A L < + 0 0 19 -5,-3.7 69,-2.5 -8,-0.1 70,-0.3 -0.130 37.3 104.2-110.4 36.2 -1.6 26.0 17.1 86 86 A C S S- 0 0 43 -6,-0.3 7,-0.1 67,-0.2 2,-0.1 -0.627 85.6 -82.1-105.6 169.2 -0.7 23.2 14.7 87 87 A G - 0 0 11 -2,-0.2 -1,-0.1 5,-0.1 3,-0.1 -0.381 34.8-157.1 -66.2 152.8 -0.3 23.4 10.9 88 88 A E S S+ 0 0 135 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.567 72.4 43.9-109.7 -17.6 -3.8 23.2 9.2 89 89 A T S > S- 0 0 71 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.766 91.5-107.0-121.9 165.5 -2.7 22.0 5.9 90 90 A E H > S+ 0 0 38 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.908 119.7 55.4 -60.5 -44.4 -0.2 19.3 4.9 91 91 A E H > S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 109.7 45.7 -59.2 -41.1 2.3 22.0 3.8 92 92 A E H > S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.869 112.8 51.1 -69.4 -37.3 2.2 23.7 7.2 93 93 A R H X S+ 0 0 85 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.886 110.8 47.7 -65.7 -42.0 2.5 20.3 9.0 94 94 A I H X S+ 0 0 19 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.929 113.6 47.1 -64.6 -49.6 5.6 19.3 6.9 95 95 A R H X S+ 0 0 31 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.938 114.0 49.2 -55.3 -47.8 7.2 22.7 7.5 96 96 A A H X S+ 0 0 3 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.923 109.9 49.8 -60.5 -43.6 6.4 22.4 11.2 97 97 A D H X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.890 112.2 47.7 -66.4 -38.7 7.8 18.8 11.6 98 98 A I H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.931 113.3 47.8 -64.7 -57.7 11.1 19.7 9.9 99 99 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.909 107.9 55.4 -51.6 -46.2 11.5 22.9 12.0 100 100 A E H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.881 115.6 36.8 -49.4 -55.1 10.8 21.1 15.2 101 101 A N H X S+ 0 0 9 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.810 114.9 55.2 -69.9 -36.2 13.5 18.5 14.6 102 102 A Q H X S+ 0 0 14 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.882 105.7 53.5 -61.4 -42.8 16.0 21.0 13.0 103 103 A V H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.916 106.6 51.4 -58.9 -45.5 15.7 23.1 16.1 104 104 A M H X S+ 0 0 43 -4,-1.2 4,-2.4 -5,-0.3 -1,-0.2 0.914 109.2 51.3 -60.9 -44.0 16.6 20.2 18.3 105 105 A D H X S+ 0 0 52 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.942 112.0 45.2 -56.3 -53.8 19.7 19.5 16.1 106 106 A N H X S+ 0 0 6 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.769 112.2 53.2 -62.5 -28.0 20.9 23.0 16.3 107 107 A R H X S+ 0 0 10 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.894 108.6 49.2 -68.8 -46.2 20.3 23.0 20.1 108 108 A M H X S+ 0 0 74 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.868 106.4 56.4 -62.3 -35.2 22.3 19.8 20.5 109 109 A Q H X S+ 0 0 64 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.905 108.4 47.7 -64.7 -40.7 25.2 21.4 18.5 110 110 A L H X S+ 0 0 0 -4,-1.3 4,-3.4 1,-0.2 -2,-0.2 0.888 112.0 49.5 -67.8 -40.6 25.3 24.3 21.0 111 111 A I H X S+ 0 0 49 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.906 106.1 55.7 -63.2 -46.1 25.2 22.0 24.0 112 112 A M H < S+ 0 0 118 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.829 116.0 39.0 -56.9 -38.0 28.1 19.8 22.6 113 113 A L H >< S+ 0 0 8 -4,-1.5 3,-1.5 2,-0.2 -2,-0.2 0.956 115.8 49.7 -74.7 -52.8 30.2 22.9 22.4 114 114 A C H 3< S+ 0 0 0 -4,-3.4 99,-3.2 1,-0.3 100,-0.4 0.684 114.2 45.8 -61.7 -22.7 29.1 24.6 25.6 115 115 A Y T 3< S+ 0 0 75 -4,-2.3 -1,-0.3 97,-0.2 -2,-0.2 0.421 86.5 107.9 -96.8 -4.4 29.6 21.4 27.7 116 116 A N X - 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0 0 47 -3,-1.0 3,-1.9 1,-0.1 6,-0.1 -0.820 66.9-143.9 -90.7 121.8 33.3 6.9 22.8 335 117 B P T 3 S+ 0 0 111 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.707 104.1 58.0 -54.0 -23.8 37.0 5.9 22.6 336 118 B D T >> S+ 0 0 67 1,-0.2 4,-3.0 2,-0.1 3,-0.5 -0.058 70.2 132.0 -97.8 29.1 36.5 4.6 26.2 337 119 B F H <> + 0 0 8 -3,-1.9 4,-3.6 1,-0.2 -1,-0.2 0.919 69.2 48.4 -40.9 -66.8 33.8 2.2 25.0 338 120 B E H 34 S+ 0 0 144 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.795 116.0 45.3 -49.4 -35.2 35.1 -0.9 26.7 339 121 B K H <4 S+ 0 0 134 -3,-0.5 4,-0.3 2,-0.1 -1,-0.3 0.906 117.1 44.5 -78.2 -37.0 35.5 1.0 29.9 340 122 B Q H >X S+ 0 0 78 -4,-3.0 3,-1.6 1,-0.2 4,-1.0 0.890 96.4 76.9 -77.8 -40.5 32.1 2.7 29.6 341 123 B K H >X S+ 0 0 62 -4,-3.6 4,-3.1 1,-0.3 3,-0.9 0.756 85.7 56.4 -36.5 -57.3 30.1 -0.4 28.7 342 124 B P H 34 S+ 0 0 76 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.794 110.4 46.2 -49.6 -38.9 29.8 -2.2 32.0 343 125 B E H <4 S+ 0 0 107 -3,-1.6 4,-0.3 -4,-0.3 -2,-0.2 0.721 112.8 50.1 -75.3 -32.6 28.2 0.8 33.6 344 126 B F H XX S+ 0 0 28 -4,-1.0 3,-1.8 -3,-0.9 4,-0.7 0.879 101.8 61.0 -76.5 -43.9 25.8 1.3 30.7 345 127 B L T 3< S+ 0 0 43 -4,-3.1 3,-0.3 1,-0.3 -1,-0.2 0.705 99.9 57.7 -55.0 -27.5 24.7 -2.3 30.7 346 128 B K T 34 S+ 0 0 133 -4,-0.5 4,-0.3 1,-0.2 -1,-0.3 0.644 100.3 56.0 -80.0 -15.4 23.4 -1.8 34.3 347 129 B T T <> S+ 0 0 53 -3,-1.8 4,-1.7 -4,-0.3 3,-0.2 0.592 88.3 82.8 -87.3 -17.6 21.1 1.0 33.2 348 130 B I H X S+ 0 0 2 -4,-0.7 4,-3.1 -3,-0.3 5,-0.3 0.871 82.8 54.6 -53.3 -55.9 19.4 -1.2 30.6 349 131 B P H > S+ 0 0 63 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.862 108.8 50.6 -49.2 -45.1 16.9 -3.0 32.8 350 132 B E H > S+ 0 0 125 -4,-0.3 4,-1.6 -3,-0.2 -2,-0.2 0.926 112.0 47.5 -64.9 -36.3 15.6 0.4 34.0 351 133 B K H X S+ 0 0 38 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.884 114.8 45.0 -65.8 -48.9 15.2 1.5 30.4 352 134 B M H X S+ 0 0 1 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.864 107.8 58.5 -62.9 -39.3 13.4 -1.7 29.4 353 135 B K H X S+ 0 0 74 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.891 103.7 52.7 -60.5 -33.3 11.2 -1.6 32.4 354 136 B L H X S+ 0 0 44 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.919 112.0 44.1 -71.4 -39.4 9.9 1.8 31.4 355 137 B Y H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.888 114.2 51.3 -66.0 -45.1 9.0 0.5 27.9 356 138 B S H X S+ 0 0 18 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.944 111.8 44.6 -58.1 -54.3 7.5 -2.6 29.4 357 139 B E H < S+ 0 0 117 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.820 113.0 52.2 -61.8 -29.9 5.3 -0.8 31.8 358 140 B F H < S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.889 113.5 42.7 -75.0 -43.5 4.2 1.7 29.2 359 141 B L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.1 -2,-0.2 0.876 83.1 157.4 -62.2 -52.6 3.2 -1.0 26.7 360 142 B G T 3< S- 0 0 27 -4,-2.8 -1,-0.1 1,-0.3 -2,-0.1 -0.257 74.8 -21.2 61.6-128.8 1.5 -3.0 29.5 361 143 B K T 3 S+ 0 0 209 -4,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.458 105.0 118.3 -90.4 1.9 -1.1 -5.3 27.9 362 144 B R < - 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