==== 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/TRANSFERASE INHIBITOR 15-OCT-97 1AXD . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR T.NEUEFEIND,R.HUBER,H.DASENBROCK,L.PRADE,B.BIESELER . 424 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 76.7 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 . 20 4.7 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 . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 44.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 4.0 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 3 2 0 2 0 2 0 2 6 0 0 0 2 0 0 0 0 0 0 0 2 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 . 1 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 A 0 0 122 0, 0.0 2,-0.2 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 -59.3 7.6 23.1 28.9 2 2 A P - 0 0 37 0, 0.0 26,-0.3 0, 0.0 58,-0.2 -0.527 360.0-126.6 -76.6 135.4 4.7 21.9 26.6 3 3 A M E -a 28 0A 3 24,-2.9 26,-2.0 -2,-0.2 2,-0.6 -0.512 22.8-130.3 -71.9 145.5 5.7 19.7 23.7 4 4 A K E -aB 29 58A 53 54,-1.9 54,-1.7 24,-0.2 2,-0.6 -0.920 14.3-157.2-104.9 121.8 4.3 21.1 20.4 5 5 A L E -aB 30 57A 1 24,-3.5 26,-2.7 -2,-0.6 2,-0.5 -0.883 15.0-146.1 -97.3 118.4 2.5 18.6 18.2 6 6 A Y E +aB 31 56A 18 50,-3.5 50,-0.9 -2,-0.6 2,-0.2 -0.763 49.8 64.7 -92.6 127.3 2.6 19.7 14.6 7 7 A G S S- 0 0 1 24,-2.7 2,-0.4 -2,-0.5 24,-0.1 -0.623 80.3 -75.8 144.1 157.4 -0.3 19.0 12.3 8 8 A A > - 0 0 22 25,-0.3 3,-2.2 -2,-0.2 6,-0.2 -0.724 40.3-126.0 -83.5 130.5 -4.0 19.8 11.6 9 9 A V T 3 S+ 0 0 51 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.536 101.3 76.2 -52.0 -12.3 -6.4 17.9 13.9 10 10 A M T 3 S+ 0 0 152 199,-0.1 2,-0.5 4,-0.1 -1,-0.3 0.551 75.3 91.6 -79.7 -6.2 -8.3 16.5 10.9 11 11 A S X> - 0 0 9 -3,-2.2 4,-1.4 1,-0.1 3,-0.6 -0.774 68.6-148.8 -90.8 128.8 -5.6 13.9 10.3 12 12 A W T 34 S+ 0 0 13 -2,-0.5 4,-0.4 1,-0.2 -1,-0.1 0.573 96.7 62.9 -73.3 -2.6 -6.0 10.6 11.9 13 13 A N T 3> S+ 0 0 13 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.837 104.9 44.2 -86.9 -32.0 -2.2 10.3 12.1 14 14 A L H <> S+ 0 0 4 -3,-0.6 4,-1.9 -6,-0.2 -2,-0.2 0.791 110.8 54.5 -79.6 -31.2 -1.9 13.3 14.4 15 15 A T H X S+ 0 0 2 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.687 98.3 62.9 -76.7 -14.8 -4.8 12.2 16.5 16 16 A R H > S+ 0 0 0 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.934 108.7 43.0 -70.1 -40.1 -3.0 8.8 16.9 17 17 A C H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.866 110.5 55.1 -68.7 -42.5 -0.3 10.9 18.7 18 18 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.853 103.9 56.6 -61.4 -33.6 -2.9 13.0 20.5 19 19 A T H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.930 111.1 40.8 -63.2 -49.3 -4.4 9.8 21.9 20 20 A A H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.861 114.5 52.0 -68.1 -36.9 -1.1 8.6 23.5 21 21 A L H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.8 0.911 110.9 48.5 -66.8 -39.6 -0.2 12.1 24.7 22 22 A E H <5S+ 0 0 59 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.835 114.4 45.9 -66.7 -36.5 -3.5 12.4 26.4 23 23 A E H <5S+ 0 0 24 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.847 111.7 49.1 -76.5 -38.4 -3.2 9.0 28.0 24 24 A A H <5S- 0 0 12 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.634 112.8-121.4 -75.2 -13.2 0.4 9.4 29.2 25 25 A G T <5 + 0 0 60 -4,-0.8 -3,-0.2 -5,-0.2 2,-0.2 0.927 49.3 175.1 72.5 47.6 -0.8 12.8 30.6 26 26 A S < - 0 0 16 -5,-2.7 2,-0.7 -6,-0.1 -1,-0.2 -0.507 36.8-118.7 -87.9 156.0 1.7 14.8 28.7 27 27 A D + 0 0 100 -26,-0.2 -24,-2.9 -2,-0.2 2,-0.3 -0.848 60.3 131.7 -92.2 113.7 2.0 18.6 28.5 28 28 A Y E -a 3 0A 32 -2,-0.7 2,-0.3 -26,-0.3 -24,-0.2 -0.992 38.9-156.8-159.5 166.1 1.5 19.5 24.9 29 29 A E E -a 4 0A 93 -26,-2.0 -24,-3.5 -2,-0.3 2,-0.3 -0.956 24.8-117.3-144.5 155.8 -0.3 21.7 22.3 30 30 A I E -a 5 0A 43 -2,-0.3 -24,-0.2 -26,-0.2 -22,-0.1 -0.782 15.6-162.5 -99.6 144.2 -1.2 21.3 18.7 31 31 A V E -a 6 0A 40 -26,-2.7 -24,-2.7 -2,-0.3 -2,-0.0 -0.955 22.3-134.9-125.4 101.6 0.2 23.6 16.0 32 32 A P - 0 0 87 0, 0.0 2,-0.5 0, 0.0 -24,-0.2 -0.288 11.4-152.3 -58.6 144.1 -1.9 23.4 12.8 33 33 A I - 0 0 6 -27,-0.0 2,-0.5 7,-0.0 -25,-0.3 -0.995 11.2-140.3-120.4 121.5 -0.1 23.1 9.5 34 34 A N > - 0 0 74 -2,-0.5 5,-2.0 1,-0.2 6,-0.5 -0.745 13.7-170.7 -86.1 124.2 -1.9 24.4 6.5 35 35 A F T > 5S+ 0 0 86 -2,-0.5 3,-2.0 3,-0.2 -1,-0.2 0.780 82.0 70.3 -82.7 -26.5 -1.5 22.3 3.4 36 36 A A T 3 5S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.787 106.8 37.1 -58.4 -33.1 -3.2 24.9 1.2 37 37 A T T 3 5S- 0 0 96 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.074 113.8-115.4-105.4 19.9 -0.2 27.2 1.6 38 38 A A T X 5 + 0 0 50 -3,-2.0 3,-1.4 1,-0.1 -3,-0.2 0.787 61.1 155.0 48.4 38.5 2.3 24.3 1.5 39 39 A E G > < + 0 0 70 -5,-2.0 3,-1.7 1,-0.3 6,-0.3 0.824 65.6 61.8 -63.2 -33.2 3.3 25.1 5.1 40 40 A H G 3 S+ 0 0 18 -6,-0.5 -1,-0.3 1,-0.3 9,-0.1 0.704 102.0 53.3 -68.0 -15.8 4.4 21.5 5.5 41 41 A K G < S+ 0 0 91 -3,-1.4 -1,-0.3 -6,-0.1 -2,-0.2 0.068 85.6 115.9-104.7 21.2 7.0 22.1 2.8 42 42 A S S <> S- 0 0 21 -3,-1.7 4,-2.4 1,-0.1 3,-0.5 -0.548 77.3-114.7 -89.6 156.8 8.5 25.2 4.4 43 43 A P H > S+ 0 0 94 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.790 117.0 56.2 -57.5 -34.0 12.2 25.4 5.7 44 44 A E H 4 S+ 0 0 126 1,-0.2 3,-0.3 2,-0.2 4,-0.1 0.867 112.3 41.4 -67.6 -37.0 10.9 25.8 9.2 45 45 A H H >> S+ 0 0 0 -3,-0.5 4,-2.6 -6,-0.3 3,-1.9 0.825 104.4 64.8 -80.6 -31.8 9.0 22.6 9.0 46 46 A L H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.664 95.1 60.4 -64.3 -18.1 11.7 20.6 7.1 47 47 A V T 3< S+ 0 0 93 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.616 111.6 40.5 -82.7 -11.5 13.9 20.9 10.2 48 48 A R T <4 S+ 0 0 42 -3,-1.9 -2,-0.2 1,-0.3 9,-0.2 0.838 134.7 15.0 -97.6 -48.8 11.2 19.0 12.1 49 49 A N >< - 0 0 2 -4,-2.6 3,-2.0 -9,-0.1 -1,-0.3 -0.937 62.8-165.2-130.3 105.7 10.3 16.5 9.4 50 50 A P T 3 S+ 0 0 47 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.677 92.5 59.7 -61.8 -18.8 12.8 16.2 6.5 51 51 A F T 3 S- 0 0 28 2,-0.1 -5,-0.1 -3,-0.1 -10,-0.0 0.166 111.6-123.3 -93.4 12.6 10.2 14.3 4.6 52 52 A G < + 0 0 0 -3,-2.0 2,-0.3 1,-0.1 -6,-0.1 0.825 67.1 106.0 49.3 54.9 7.9 17.3 4.7 53 53 A Q - 0 0 21 -8,-0.2 371,-0.2 2,-0.1 -1,-0.1 -0.900 58.8 -65.8-150.8 172.2 4.8 15.9 6.4 54 54 A V S S+ 0 0 2 369,-2.4 2,-0.2 -2,-0.3 -47,-0.1 -0.890 84.9 52.6-113.6 154.0 2.7 15.7 9.6 55 55 A P + 0 0 0 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.447 59.6 160.0 -78.2 168.8 2.8 14.8 12.4 56 56 A A E -BC 6 65A 0 -50,-0.9 -50,-3.5 9,-0.2 2,-0.4 -0.959 20.6-154.8-150.4 135.7 6.0 16.2 13.9 57 57 A L E -BC 5 64A 1 7,-2.9 7,-2.7 -2,-0.3 2,-0.5 -0.959 3.6-163.1-120.9 143.5 6.7 16.6 17.6 58 58 A Q E +BC 4 63A 40 -54,-1.7 -54,-1.9 -2,-0.4 2,-0.6 -0.985 9.1 178.8-127.8 120.9 9.1 18.9 19.4 59 59 A D E > S- C 0 62A 28 3,-2.4 3,-2.5 -2,-0.5 2,-0.8 -0.916 72.7 -58.0-119.2 96.2 10.2 18.5 23.0 60 60 A G T 3 S- 0 0 56 -2,-0.6 -56,-0.1 1,-0.3 0, 0.0 -0.555 123.4 -18.1 71.5-107.3 12.6 21.3 23.7 61 61 A D T 3 S+ 0 0 145 -2,-0.8 2,-0.4 -3,-0.1 -1,-0.3 0.307 114.2 107.9-111.3 1.1 15.2 20.8 21.0 62 62 A L E < -C 59 0A 20 -3,-2.5 -3,-2.4 2,-0.0 2,-0.4 -0.733 52.7-162.8 -84.4 126.3 14.2 17.2 20.3 63 63 A Y E +C 58 0A 75 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.951 11.5 176.6-112.3 133.4 12.5 16.8 16.9 64 64 A L E +C 57 0A 2 -7,-2.7 -7,-2.9 -2,-0.4 2,-0.3 -0.959 6.6 178.6-136.0 153.6 10.5 13.7 16.1 65 65 A F E +C 56 0A 9 -2,-0.3 -9,-0.2 -9,-0.2 244,-0.1 -0.930 43.5 70.9-147.1 168.5 8.4 12.4 13.3 66 66 A E S >> S- 0 0 2 -11,-0.8 4,-2.1 355,-0.5 3,-0.8 0.726 73.8-119.0 82.8 108.7 6.4 9.3 12.3 67 67 A S H 3> S+ 0 0 0 354,-1.4 4,-1.7 1,-0.2 5,-0.1 0.863 109.8 48.9 -44.4 -52.5 3.2 9.0 14.4 68 68 A R H 3> S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.823 110.5 51.4 -64.8 -28.4 4.0 5.6 16.0 69 69 A A H <> S+ 0 0 1 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.939 109.2 50.6 -71.1 -43.5 7.5 6.8 16.9 70 70 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.799 109.1 54.3 -60.5 -31.7 6.1 9.9 18.6 71 71 A C H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.2 5,-0.2 0.936 105.1 49.4 -69.7 -50.1 3.7 7.6 20.4 72 72 A K H X S+ 0 0 6 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.860 110.9 53.6 -59.8 -34.4 6.3 5.4 22.0 73 73 A Y H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.905 104.6 51.4 -66.6 -45.3 8.2 8.5 23.1 74 74 A A H X>S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 5,-0.5 0.848 118.2 39.5 -61.3 -34.1 5.2 10.0 24.9 75 75 A A H X5S+ 0 0 0 -4,-1.7 4,-1.5 3,-0.2 -2,-0.2 0.944 113.2 53.9 -77.6 -48.6 4.7 6.8 26.8 76 76 A R H <5S+ 0 0 41 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.772 118.8 37.5 -53.4 -31.4 8.4 6.1 27.2 77 77 A K H <5S+ 0 0 78 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.741 135.9 12.3 -94.2 -31.5 8.7 9.6 28.8 78 78 A N H <5S+ 0 0 65 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.709 136.6 17.2-119.5 -33.8 5.4 10.0 30.8 79 79 A K ><< + 0 0 67 -4,-1.5 3,-2.1 -5,-0.5 -3,-0.2 -0.495 57.9 168.2-145.1 73.4 3.6 6.6 31.1 80 80 A P G >>> + 0 0 48 0, 0.0 3,-2.7 0, 0.0 5,-0.9 0.658 68.8 81.1 -58.7 -21.8 6.0 3.7 30.3 81 81 A E G >45S+ 0 0 110 1,-0.3 3,-0.7 2,-0.2 -5,-0.1 0.756 80.8 66.8 -58.3 -24.8 3.5 1.3 31.7 82 82 A L G <45S+ 0 0 4 -3,-2.1 80,-2.3 1,-0.2 -1,-0.3 0.569 106.4 41.6 -71.6 -10.6 1.8 1.6 28.3 83 83 A L G <45S- 0 0 5 -3,-2.7 -1,-0.2 78,-0.2 -2,-0.2 0.395 98.6-136.5-112.4 -7.2 4.9 -0.1 26.8 84 84 A R T X<5 + 0 0 74 -3,-0.7 3,-1.3 -4,-0.5 7,-0.4 0.818 36.8 178.8 51.2 34.3 5.4 -2.7 29.5 85 85 A E T 3 < + 0 0 57 -5,-0.9 -1,-0.2 1,-0.2 3,-0.1 -0.489 62.0 41.8 -65.9 134.6 9.1 -1.9 29.4 86 86 A G T 3 S+ 0 0 85 -2,-0.2 2,-0.7 1,-0.1 -1,-0.2 -0.282 97.8 80.7 119.5 -45.5 10.9 -4.0 31.9 87 88 A N <> - 0 0 74 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 -0.874 64.6-162.0 -97.2 115.3 9.0 -7.2 31.2 88 89 A L H > S+ 0 0 55 -2,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.957 87.5 45.6 -60.7 -54.9 10.5 -8.8 28.1 89 90 A E H > S+ 0 0 92 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.900 117.2 45.6 -55.8 -47.4 7.6 -11.1 27.3 90 91 A E H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.888 110.9 50.9 -65.8 -43.9 5.0 -8.4 27.8 91 92 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 -7,-0.4 -1,-0.2 0.881 105.9 57.8 -62.5 -36.9 6.9 -5.8 25.8 92 93 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.870 105.2 50.0 -59.6 -41.0 7.3 -8.2 22.9 93 94 A M H X S+ 0 0 31 -4,-1.3 4,-2.5 -3,-0.2 5,-0.2 0.898 106.7 54.1 -64.9 -43.7 3.5 -8.6 22.7 94 95 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.929 111.2 46.6 -56.5 -45.7 2.9 -4.8 22.7 95 96 A D H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.908 108.7 55.3 -62.9 -44.4 5.3 -4.6 19.7 96 97 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.911 114.9 38.8 -55.1 -45.0 3.6 -7.5 18.0 97 98 A W H X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.721 107.9 60.9 -81.8 -20.2 0.3 -5.7 18.1 98 99 A I H X S+ 0 0 1 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.855 110.1 45.6 -70.7 -31.8 1.7 -2.2 17.4 99 100 A E H X S+ 0 0 7 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.850 107.6 55.8 -78.0 -36.2 2.8 -3.7 14.1 100 101 A V H X>S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 5,-1.3 0.905 103.2 55.8 -62.3 -43.2 -0.4 -5.5 13.4 101 102 A E H <>S+ 0 0 0 -4,-1.8 5,-2.7 3,-0.2 6,-0.5 0.921 115.9 37.9 -53.2 -46.6 -2.4 -2.2 13.7 102 103 A A H <5S+ 0 0 19 -4,-1.1 5,-0.3 1,-0.2 -2,-0.2 0.910 126.2 33.9 -74.1 -45.0 -0.2 -0.7 11.0 103 104 A N H <5S+ 0 0 56 -4,-2.9 -2,-0.2 3,-0.1 -1,-0.2 0.442 134.4 17.4 -93.4 -1.4 0.3 -3.6 8.7 104 105 A Q T X5S+ 0 0 37 -4,-2.2 4,-0.8 -5,-0.2 -3,-0.2 0.617 124.6 33.1-130.4 -65.8 -3.1 -5.2 9.1 105 106 A Y H >> S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.950 116.7 48.7 -58.3 -43.7 -8.8 2.6 1.5 112 113 A I H X S+ 0 0 1 -4,-0.7 4,-2.6 1,-0.2 5,-0.5 0.945 106.3 52.1 -59.6 -57.5 -12.2 2.5 3.2 113 114 A L H X>S+ 0 0 1 -4,-2.9 5,-1.3 1,-0.2 4,-1.1 0.791 111.8 50.1 -53.8 -29.8 -12.0 5.7 5.2 114 115 A F H <>S+ 0 0 91 -4,-1.5 5,-2.9 -5,-0.3 -1,-0.2 0.954 114.5 39.9 -74.5 -52.2 -11.0 7.6 2.1 115 116 A Q H <5S+ 0 0 27 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.949 124.9 37.5 -61.2 -53.0 -13.8 6.4 -0.2 116 117 A V H <5S+ 0 0 23 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.749 137.2 12.6 -73.1 -24.7 -16.5 6.6 2.4 117 118 A L T X5S+ 0 0 53 -4,-1.1 4,-1.3 -5,-0.5 -3,-0.2 0.814 125.7 35.0-121.0 -59.2 -15.2 9.7 4.1 118 119 A I H >>XS+ 0 0 18 -5,-2.9 5,-2.4 1,-0.2 3,-0.9 0.877 108.0 48.6 -41.9 -57.2 -13.5 11.5 -1.1 120 121 A P H >45S+ 0 0 48 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.880 110.2 51.2 -56.4 -41.3 -17.1 12.7 -0.6 121 122 A M H 3<5S+ 0 0 135 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.1 0.735 104.4 56.9 -70.3 -20.5 -16.0 15.8 1.4 122 123 A L H <<5S- 0 0 127 -4,-1.4 -1,-0.3 -3,-0.9 -3,-0.1 0.571 133.3 -92.3 -83.7 -6.6 -13.6 16.8 -1.3 123 124 A G T <<5S+ 0 0 73 -3,-1.2 -2,-0.2 -4,-0.5 2,-0.1 0.571 90.6 113.6 107.1 14.8 -16.5 16.8 -3.6 124 125 A G < - 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0 0 32 -3,-1.9 4,-2.5 -4,-0.3 -1,-0.2 -0.774 67.2-178.6-122.7 86.5 24.6 9.4 -2.6 397 188 B P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.796 79.5 42.7 -50.6 -51.2 28.2 9.3 -1.2 398 189 B H H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.837 115.6 49.9 -72.4 -32.3 27.4 9.1 2.6 399 190 B V H > S+ 0 0 1 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.884 112.5 48.8 -70.3 -38.7 24.6 6.6 2.0 400 191 B K H X S+ 0 0 82 -4,-2.5 4,-2.3 -7,-0.4 -2,-0.2 0.895 111.4 48.0 -67.5 -41.9 26.9 4.5 -0.1 401 192 B A H X S+ 0 0 62 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.915 109.8 54.2 -62.3 -44.6 29.7 4.7 2.6 402 193 B W H X S+ 0 0 16 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.866 109.1 47.7 -56.4 -42.8 27.1 3.8 5.2 403 194 B W H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.932 110.9 50.6 -66.3 -46.0 26.1 0.7 3.2 404 195 B S H X S+ 0 0 61 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.865 107.9 53.4 -60.3 -38.7 29.7 -0.4 2.6 405 196 B G H >< S+ 0 0 49 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.916 112.0 45.0 -62.0 -42.4 30.4 -0.1 6.4 406 197 B L H >< S+ 0 0 2 -4,-1.7 3,-1.9 1,-0.2 6,-0.4 0.841 103.3 64.1 -67.9 -39.1 27.4 -2.3 7.1 407 198 B M H 3< S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.692 93.9 62.6 -58.0 -25.8 28.3 -4.8 4.5 408 199 B E T << S+ 0 0 147 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.373 81.3 101.8 -82.6 1.2 31.6 -5.6 6.3 409 200 B R S <> S- 0 0 59 -3,-1.9 4,-1.3 1,-0.1 3,-0.1 -0.667 75.0-134.4 -85.5 143.7 29.7 -6.9 9.4 410 201 B P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.858 102.3 63.2 -65.6 -32.5 29.5 -10.7 9.7 411 202 B S H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.924 108.1 40.3 -56.7 -47.4 25.7 -10.5 10.5 412 203 B V H > S+ 0 0 0 -6,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.759 113.1 56.3 -73.9 -26.0 24.9 -9.0 7.1 413 204 B Q H X S+ 0 0 92 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.772 106.7 50.1 -75.3 -26.6 27.4 -11.3 5.4 414 205 B K H X S+ 0 0 94 -4,-1.9 4,-1.8 -3,-0.3 -2,-0.2 0.876 112.4 45.0 -78.8 -37.5 25.6 -14.3 6.9 415 206 B V H X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.888 110.6 54.3 -73.0 -36.6 22.1 -13.2 5.8 416 207 B A H >< S+ 0 0 34 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.871 109.0 50.2 -61.3 -37.9 23.5 -12.4 2.3 417 208 B A H 3< S+ 0 0 69 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 99.5 63.5 -66.3 -41.2 24.8 -15.9 2.3 418 209 B L H 3< 0 0 34 -4,-1.8 -1,-0.2 -193,-0.1 -2,-0.2 0.742 360.0 360.0 -54.7 -23.2 21.4 -17.3 3.3 419 210 B M << 0 0 111 -4,-0.8 -3,-0.1 -3,-0.7 -199,-0.1 0.194 360.0 360.0-103.6 360.0 20.2 -15.9 0.0 420 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 421 1 C X 0 0 44 0, 0.0 -354,-1.4 0, 0.0 -355,-0.5 0.000 360.0 360.0 360.0 360.0 3.5 8.6 8.6 422 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 423 2 C X 0 0 75 0, 0.0 -369,-2.4 0, 0.0 -412,-0.0 0.000 360.0 360.0 360.0 153.5 0.5 13.0 5.3 424 3 C G 0 0 65 -371,-0.2 -371,-0.1 -383,-0.0 -389,-0.0 -0.317 360.0 360.0 123.4 360.0 1.6 15.7 3.0 425 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 426 1 D X 0 0 38 0, 0.0 -149,-1.5 0, 0.0 -150,-0.4 0.000 360.0 360.0 360.0 360.0 4.6 -8.9 7.9 427 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 428 2 D X 0 0 61 0, 0.0 -164,-2.0 0, 0.0 -207,-0.0 0.000 360.0 360.0 360.0 160.0 3.9 -13.1 3.4 429 3 D G 0 0 66 -166,-0.2 -166,-0.1 -178,-0.0 -184,-0.0 -0.293 360.0 360.0 127.5 360.0 1.2 -15.6 2.9