==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-OCT-04 1XPY . COMPND 2 MOLECULE: N-ACYLAMINO ACID RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR W.-C.WANG,W.-C.CHIU,S.-K.HSU,C.-L.WU,C.-Y.CHEN,J.-S.LIU,W.- . 1462 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 981 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 11.3 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 . 14 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 80 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.3 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 1 11 5 3 2 4 16 0 0 6 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 17 9 10 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 PARALLEL BRIDGES PER LADDER . 14 4 4 0 0 5 3 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 4 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 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 6 A R 0 0 251 0, 0.0 106,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-161.3 18.2 24.5 21.5 2 7 A M - 0 0 115 1,-0.1 2,-0.4 70,-0.0 72,-0.2 -0.249 360.0-140.0 -72.1 155.8 21.5 22.9 22.6 3 8 A F E -A 73 0A 0 70,-3.0 70,-3.2 72,-0.0 2,-0.5 -0.959 2.5-148.4-127.8 139.7 23.1 20.0 20.8 4 9 A K E -A 72 0A 84 -2,-0.4 2,-1.1 68,-0.3 28,-0.3 -0.862 14.8-138.4-104.6 127.3 24.9 16.9 22.1 5 10 A I + 0 0 0 66,-2.1 65,-3.0 -2,-0.5 66,-0.3 -0.767 30.4 169.8 -88.9 104.6 27.7 15.4 20.1 6 11 A E + 0 0 95 24,-2.1 355,-0.5 -2,-1.1 2,-0.3 0.845 57.0 2.2 -84.2 -38.1 27.0 11.7 20.4 7 12 A A E -BC 30 360B 4 23,-1.4 23,-2.6 353,-0.1 2,-0.3 -0.965 53.7-156.6-150.0 163.8 29.5 10.2 17.9 8 13 A A E -BC 29 359B 0 351,-2.0 351,-2.6 -2,-0.3 2,-0.4 -0.997 4.2-160.4-145.6 137.3 32.3 11.0 15.4 9 14 A E E -BC 28 358B 23 19,-2.5 19,-2.6 -2,-0.3 2,-0.5 -0.970 4.1-160.0-116.2 136.8 33.8 9.4 12.3 10 15 A I E -BC 27 357B 0 347,-1.7 347,-1.6 -2,-0.4 2,-0.5 -0.975 16.8-179.9-104.3 124.4 37.2 9.9 10.8 11 16 A V E -BC 26 356B 0 15,-2.2 15,-2.9 -2,-0.5 2,-0.6 -0.993 13.3-161.2-126.6 121.4 37.2 8.8 7.2 12 17 A V E -BC 25 355B 14 343,-3.4 342,-2.3 -2,-0.5 343,-1.8 -0.937 16.5-171.0-101.7 116.8 40.4 9.1 5.1 13 18 A A E -BC 24 353B 0 11,-2.5 11,-2.5 -2,-0.6 2,-0.5 -0.696 23.0-146.6-103.1 157.2 39.6 8.9 1.4 14 19 A R E -B 23 0B 119 338,-2.5 9,-0.2 -2,-0.3 -2,-0.0 -0.956 27.0-166.1-120.3 100.9 42.0 8.6 -1.6 15 20 A L E -B 22 0B 0 7,-2.8 7,-1.3 -2,-0.5 2,-0.1 -0.823 18.7-122.1-106.2 119.5 40.1 10.5 -4.3 16 21 A P E -B 21 0B 34 0, 0.0 301,-0.6 0, 0.0 302,-0.4 -0.342 24.7-136.6 -61.0 130.3 41.2 10.2 -7.9 17 22 A L B E 316 0C 57 3,-2.1 299,-0.3 299,-0.2 298,-0.1 -0.371 360.0 360.0 -75.2 163.3 42.2 13.5 -9.6 18 23 A K 0 0 146 297,-2.0 -1,-0.1 296,-0.1 296,-0.0 -0.691 360.0 360.0 -81.6 360.0 41.1 14.3 -13.1 19 ! 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 20 34 A T 0 0 137 0, 0.0 -3,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -20.7 47.2 11.2 -9.5 21 35 A H E -B 16 0B 73 -5,-0.2 2,-0.4 2,-0.0 -7,-0.0 -0.905 360.0-146.8-133.4 164.0 45.3 10.9 -6.2 22 36 A K E -B 15 0B 43 -7,-1.3 -7,-2.8 -2,-0.3 2,-0.6 -0.988 16.6-130.4-134.9 132.1 44.6 13.1 -3.2 23 37 A V E -B 14 0B 45 -2,-0.4 -9,-0.2 -9,-0.2 21,-0.1 -0.687 25.0-169.5 -76.9 119.0 44.2 12.1 0.5 24 38 A V E -B 13 0B 0 -11,-2.5 -11,-2.5 -2,-0.6 2,-0.5 -0.908 4.8-160.8-113.9 103.2 41.0 13.6 1.9 25 39 A P E -B 12 0B 0 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.717 14.1-170.8 -81.8 129.5 40.5 13.4 5.7 26 40 A L E -BD 11 39B 0 -15,-2.9 -15,-2.2 -2,-0.5 2,-0.4 -0.928 15.0-158.4-121.1 143.0 36.9 13.9 6.8 27 41 A L E -BD 10 38B 0 11,-2.3 11,-2.0 -2,-0.4 2,-0.5 -0.984 7.8-167.9-114.3 133.8 35.3 14.3 10.2 28 42 A I E -BD 9 37B 0 -19,-2.6 -19,-2.5 -2,-0.4 2,-0.4 -0.982 3.0-164.1-118.2 122.7 31.6 13.5 10.7 29 43 A L E -BD 8 36B 0 7,-2.8 7,-2.7 -2,-0.5 2,-0.4 -0.906 7.1-156.3-108.6 136.3 29.9 14.6 13.9 30 44 A H E +BD 7 35B 45 -23,-2.6 -24,-2.1 -2,-0.4 -23,-1.4 -0.915 27.8 133.9-117.7 130.3 26.6 13.1 14.8 31 45 A G E > + D 0 34B 1 3,-2.4 3,-2.8 -2,-0.4 -26,-0.1 -0.937 59.7 10.2-169.4 151.0 24.0 14.6 17.1 32 46 A E T 3 S- 0 0 102 1,-0.3 3,-0.1 -28,-0.3 -27,-0.1 0.759 126.1 -56.4 51.9 34.5 20.3 15.3 17.4 33 47 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.444 122.8 84.9 76.2 0.3 19.4 13.1 14.4 34 48 A V E < -D 31 0B 43 -3,-2.8 -3,-2.4 69,-0.0 2,-0.3 -0.679 63.2-139.0-120.6-179.8 21.7 15.1 12.1 35 49 A Q E -D 30 0B 57 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.995 1.5-151.2-139.6 146.5 25.3 15.1 11.1 36 50 A G E -D 29 0B 0 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.4 -0.944 15.6-163.1-112.5 143.3 28.0 17.7 10.3 37 51 A V E +D 28 0B 7 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.979 11.4 170.7-128.8 138.7 30.9 17.1 7.9 38 52 A A E -D 27 0B 0 -11,-2.0 -11,-2.3 -2,-0.4 2,-0.4 -0.956 22.7-131.9-142.0 164.0 34.2 18.9 7.4 39 53 A E E -D 26 0B 7 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.951 15.4-131.7-124.7 129.8 37.4 18.3 5.5 40 54 A G - 0 0 1 -15,-2.7 250,-0.1 -2,-0.4 52,-0.1 -0.577 11.5-166.2 -76.0 138.0 41.0 18.6 6.7 41 55 A T + 0 0 12 -2,-0.2 2,-0.2 -17,-0.1 -1,-0.1 0.239 51.5 114.0-110.1 10.3 43.3 20.6 4.5 42 56 A M - 0 0 3 10,-0.1 10,-0.2 -17,-0.1 2,-0.2 -0.568 59.4-138.0 -73.4 148.5 46.5 19.5 6.1 43 57 A E B -f 52 0D 62 8,-0.6 10,-1.5 2,-0.2 11,-0.2 -0.504 24.4-101.7-104.3 171.1 48.8 17.4 3.8 44 58 A A S S+ 0 0 55 8,-0.2 10,-0.3 -2,-0.2 -1,-0.1 0.893 113.1 27.5 -60.5 -42.2 50.8 14.2 4.5 45 59 A R S S- 0 0 101 7,-0.1 2,-1.4 8,-0.1 3,-0.3 -0.864 98.7-103.7-115.0 153.8 54.0 16.3 4.7 46 60 A P + 0 0 0 0, 0.0 774,-2.5 0, 0.0 6,-0.1 -0.577 68.4 129.9 -82.6 86.7 54.1 20.0 5.8 47 61 A M S S+ 0 0 102 -2,-1.4 3,-0.1 772,-0.2 -3,-0.0 0.873 75.4 32.0-107.8 -52.0 54.5 21.9 2.5 48 62 A Y S S- 0 0 29 -3,-0.3 2,-0.2 1,-0.1 184,-0.1 0.885 138.4 -18.2 -69.7 -43.2 51.9 24.7 2.4 49 63 A R S S- 0 0 34 2,-0.2 771,-0.4 771,-0.1 -1,-0.1 -0.786 82.1 -78.8-148.5-163.4 52.1 25.0 6.1 50 64 A E S S+ 0 0 22 -2,-0.2 2,-0.1 769,-0.1 -8,-0.0 0.594 87.4 90.6 -84.2 -18.3 53.2 23.2 9.3 51 65 A E - 0 0 13 -6,-0.1 -8,-0.6 4,-0.1 2,-0.3 -0.439 52.6-161.8 -86.2 157.5 50.5 20.6 10.1 52 66 A T B > -f 43 0D 5 -10,-0.2 4,-2.9 -2,-0.1 -8,-0.2 -0.946 30.8-115.7-133.1 159.0 50.3 17.0 8.9 53 67 A I H > S+ 0 0 22 -10,-1.5 4,-2.9 -2,-0.3 5,-0.3 0.918 115.5 49.8 -57.7 -45.3 47.6 14.4 8.6 54 68 A A H > S+ 0 0 34 -10,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.923 114.3 43.7 -65.6 -42.5 49.3 12.1 11.1 55 69 A G H > S+ 0 0 5 733,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.950 116.7 48.5 -61.9 -47.3 49.7 14.9 13.7 56 70 A A H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.880 112.0 45.3 -62.6 -45.0 46.2 16.2 13.1 57 71 A L H X S+ 0 0 11 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.870 112.2 52.2 -72.4 -35.8 44.4 12.9 13.3 58 72 A D H X S+ 0 0 53 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.888 110.6 49.8 -63.5 -36.6 46.3 11.9 16.4 59 73 A L H X>S+ 0 0 1 -4,-2.0 5,-2.1 -5,-0.2 4,-1.5 0.914 113.6 46.1 -68.5 -41.9 45.3 15.2 17.9 60 74 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 3,-0.2 -2,-0.2 0.955 119.8 36.7 -60.8 -56.6 41.6 14.6 16.9 61 75 A R H <5S+ 0 0 90 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.864 124.8 39.8 -75.3 -30.8 41.4 11.1 18.2 62 76 A G H <5S+ 0 0 26 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.688 135.5 0.8 -88.7 -17.3 43.5 11.5 21.2 63 77 A T T X5S+ 0 0 12 -4,-1.5 4,-1.1 -5,-0.2 -3,-0.2 0.631 122.2 45.9-138.0 -61.2 42.4 14.9 22.4 64 78 A F H >>> S- 0 0 55 -72,-0.1 4,-1.1 -73,-0.0 3,-0.6 -0.963 74.9 -88.0-160.8 173.1 26.7 26.7 19.7 76 90 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.776 121.6 63.1 -60.9 -30.4 29.9 26.0 17.6 77 91 A E H 3> S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.888 102.3 50.9 -60.6 -39.8 31.7 28.7 19.6 78 92 A A H <> S+ 0 0 31 -3,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.830 106.8 54.6 -66.1 -31.9 31.2 26.6 22.7 79 93 A V H < S+ 0 0 0 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.914 109.9 45.5 -66.3 -42.0 32.6 23.6 20.9 80 94 A S H >< S+ 0 0 23 -4,-1.9 3,-1.5 1,-0.2 4,-0.4 0.865 108.5 56.8 -67.2 -38.5 35.8 25.4 20.0 81 95 A D H >< S+ 0 0 133 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.818 96.7 64.0 -64.0 -33.0 36.1 26.8 23.5 82 96 A A T 3< S+ 0 0 43 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.508 109.0 40.5 -69.6 -3.8 36.1 23.3 24.9 83 97 A L T X S+ 0 0 3 -3,-1.5 3,-1.1 -4,-0.1 -1,-0.2 0.491 84.2 115.3-109.8 -5.7 39.3 22.5 23.1 84 98 A G T < + 0 0 40 -3,-1.1 -2,-0.1 -4,-0.4 -3,-0.1 0.363 47.7 76.7 -72.8 -8.2 41.2 25.8 23.7 85 99 A S T 3 S+ 0 0 83 -4,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.961 77.4 95.6 -57.4 -41.4 44.3 25.2 25.8 86 100 A Y S < S- 0 0 59 -3,-1.1 2,-0.3 1,-0.1 694,-0.2 -0.054 74.1-121.3 -72.9 146.2 46.2 23.7 22.9 87 101 A R - 0 0 41 692,-2.7 -1,-0.1 695,-0.4 695,-0.1 -0.598 61.1 -35.9 -92.0 141.2 48.6 25.7 20.7 88 102 A G S S+ 0 0 13 -2,-0.3 5,-0.1 1,-0.1 696,-0.0 -0.188 73.4 126.2 51.9-135.3 48.3 26.2 17.0 89 103 A N > + 0 0 13 3,-0.1 4,-2.5 1,-0.1 5,-0.2 0.893 31.3 162.0 49.9 46.6 47.0 23.2 15.1 90 104 A R H > + 0 0 73 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 67.4 52.7 -68.7 -41.0 44.4 25.4 13.5 91 105 A M H > S+ 0 0 4 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.930 110.7 48.3 -60.2 -43.1 43.5 23.1 10.6 92 106 A A H >> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.957 113.9 47.5 -58.2 -48.9 43.0 20.2 13.1 93 107 A R H >X S+ 0 0 43 -4,-2.5 4,-2.6 1,-0.2 3,-0.6 0.889 105.2 59.8 -55.7 -42.6 40.8 22.5 15.1 94 108 A A H 3X S+ 0 0 1 -4,-2.9 4,-2.8 163,-0.3 5,-0.3 0.784 95.4 62.9 -63.3 -29.7 38.9 23.6 12.1 95 109 A M H S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-1.2 0.895 109.5 53.0 -57.8 -41.4 23.0 24.7 11.3 106 120 A R H <5S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 102.5 56.4 -70.6 -26.1 21.3 21.5 10.4 107 121 A T H <5S+ 0 0 49 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.807 114.1 42.4 -68.8 -27.5 19.6 21.2 13.9 108 122 A L H <5S- 0 0 71 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.648 108.1-127.5 -88.6 -17.7 18.1 24.6 13.0 109 123 A G T <5 + 0 0 51 -4,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.759 66.5 130.4 74.8 26.5 17.3 23.8 9.4 110 124 A V < - 0 0 42 -5,-2.1 229,-1.9 -6,-0.1 -1,-0.2 -0.927 64.2-106.6-120.2 135.2 19.2 26.9 8.3 111 125 A P B > -g 339 0E 44 0, 0.0 4,-1.6 0, 0.0 229,-0.2 -0.231 29.3-124.3 -56.0 143.6 21.9 27.3 5.6 112 126 A L H > S+ 0 0 0 227,-2.7 4,-1.6 1,-0.2 3,-0.3 0.925 107.5 51.3 -58.0 -50.0 25.4 27.8 6.9 113 127 A G H >>S+ 0 0 2 226,-0.4 5,-2.6 1,-0.2 4,-0.6 0.904 107.3 56.1 -57.2 -41.2 26.2 31.1 5.1 114 128 A T H >45S+ 0 0 84 1,-0.2 3,-1.0 3,-0.2 -1,-0.2 0.891 106.1 48.9 -57.5 -45.4 22.9 32.6 6.4 115 129 A L H 3<5S+ 0 0 54 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.785 108.5 54.2 -66.3 -29.0 23.9 31.8 10.1 116 130 A L H 3<5S- 0 0 3 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.515 126.3-103.4 -80.8 -8.7 27.3 33.5 9.5 117 131 A G T <<5S+ 0 0 54 -3,-1.0 -3,-0.2 -4,-0.6 184,-0.2 0.477 75.5 135.6 102.3 6.8 25.4 36.6 8.2 118 132 A G < + 0 0 7 -5,-2.6 -1,-0.3 -6,-0.2 182,-0.2 -0.498 27.0 178.3 -78.9 153.2 25.9 36.2 4.5 119 133 A H + 0 0 163 180,-1.0 2,-0.3 -2,-0.1 181,-0.1 0.132 37.5 120.7-142.2 27.8 23.1 36.8 2.0 120 134 A K - 0 0 86 179,-0.6 3,-0.1 176,-0.1 179,-0.1 -0.696 45.5-159.6 -80.9 142.5 24.6 36.4 -1.5 121 135 A E S S+ 0 0 170 -2,-0.3 213,-2.0 1,-0.2 2,-0.3 0.506 79.9 28.4 -95.3 -9.2 23.0 33.6 -3.6 122 136 A Q E -H 333 0F 90 211,-0.2 2,-0.4 177,-0.1 -1,-0.2 -0.990 69.6-148.0-150.1 153.4 26.1 33.4 -5.8 123 137 A V E -H 332 0F 6 209,-2.3 209,-2.6 -2,-0.3 2,-0.2 -0.974 23.0-115.3-130.9 138.1 29.8 34.1 -5.4 124 138 A E E -H 331 0F 78 -2,-0.4 183,-2.1 207,-0.2 2,-0.4 -0.458 32.2-157.4 -74.8 142.3 32.3 35.3 -7.9 125 139 A V B -j 307 0G 0 205,-2.4 26,-2.3 181,-0.3 27,-0.4 -0.906 8.7-164.9-124.1 144.6 35.1 32.9 -8.8 126 140 A G - 0 0 1 181,-2.1 2,-0.3 -2,-0.4 27,-0.2 -0.647 16.5-126.8-113.5 179.7 38.6 33.4 -10.3 127 141 A V E -k 153 0H 2 25,-2.1 27,-2.2 -2,-0.2 2,-0.5 -0.948 10.2-139.7-132.6 146.5 41.0 31.0 -11.9 128 142 A S E -k 154 0H 54 -2,-0.3 2,-0.5 25,-0.2 27,-0.2 -0.937 13.8-159.2-110.9 126.4 44.7 30.2 -11.2 129 143 A L E -k 155 0H 5 25,-3.0 27,-2.2 -2,-0.5 3,-0.1 -0.900 9.1-141.0-106.4 131.5 47.3 29.6 -13.9 130 144 A G - 0 0 42 -2,-0.5 2,-0.2 1,-0.2 26,-0.1 -0.183 46.8 -66.8 -71.1 173.9 50.5 27.8 -13.4 131 145 A I - 0 0 49 24,-0.1 2,-0.2 26,-0.1 -1,-0.2 -0.487 55.5-155.6 -63.5 128.4 53.7 28.8 -15.1 132 146 A Q - 0 0 59 -2,-0.2 6,-0.1 24,-0.2 3,-0.0 -0.573 27.3-106.6-101.0 171.8 53.6 28.4 -18.8 133 147 A A S S- 0 0 94 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.782 90.1 -14.7 -71.5 -27.3 56.5 27.9 -21.2 134 148 A D S > S- 0 0 76 1,-0.1 4,-1.4 31,-0.0 5,-0.1 -0.933 77.0 -80.0-163.8-179.3 56.3 31.4 -22.7 135 149 A E H > S+ 0 0 68 -2,-0.3 4,-2.6 1,-0.2 3,-0.3 0.923 120.2 45.1 -60.8 -54.0 54.4 34.7 -23.1 136 150 A Q H > S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.845 112.0 53.6 -65.6 -34.1 52.0 33.7 -25.9 137 151 A A H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.835 109.6 49.1 -69.7 -30.1 51.2 30.4 -24.2 138 152 A T H X S+ 0 0 3 -4,-1.4 4,-2.6 -3,-0.3 -2,-0.2 0.934 112.3 47.9 -68.6 -47.4 50.3 32.4 -21.1 139 153 A V H X S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.880 108.4 54.2 -63.0 -43.4 48.1 34.8 -23.1 140 154 A D H X S+ 0 0 23 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.935 111.9 44.1 -56.0 -48.1 46.3 31.9 -24.9 141 155 A L H X S+ 0 0 19 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.920 113.2 51.1 -69.1 -39.2 45.4 30.3 -21.6 142 156 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.947 108.8 52.8 -57.4 -42.7 44.4 33.6 -20.1 143 157 A R H X S+ 0 0 87 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.889 107.1 52.2 -64.5 -40.0 42.2 34.2 -23.2 144 158 A R H X S+ 0 0 18 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.951 112.2 44.7 -55.5 -48.7 40.5 30.9 -22.7 145 159 A H H <>S+ 0 0 13 -4,-2.1 5,-1.7 1,-0.2 4,-0.4 0.855 109.6 54.6 -75.9 -30.7 39.7 31.7 -19.1 146 160 A V H ><5S+ 0 0 43 -4,-2.7 3,-1.3 -5,-0.2 -1,-0.2 0.920 107.8 51.2 -60.8 -41.6 38.5 35.1 -19.9 147 161 A E H 3<5S+ 0 0 74 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.789 103.1 59.2 -69.6 -27.0 36.1 33.6 -22.4 148 162 A Q T 3<5S- 0 0 40 -4,-1.4 181,-0.4 -5,-0.1 182,-0.4 0.544 120.1-111.5 -76.5 -8.2 34.8 31.2 -19.8 149 163 A G T < 5 + 0 0 12 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.596 54.3 165.5 92.2 12.4 33.8 34.2 -17.7 150 164 A Y < - 0 0 33 -5,-1.7 -1,-0.2 1,-0.1 -24,-0.2 -0.334 30.6-146.5 -62.5 145.5 36.2 34.1 -14.8 151 165 A R S S+ 0 0 77 -26,-2.3 2,-0.3 1,-0.2 -25,-0.2 0.360 78.2 28.7-102.1 0.6 36.2 37.4 -12.8 152 166 A R - 0 0 2 -27,-0.4 -25,-2.1 153,-0.1 2,-0.5 -0.918 64.9-152.3-157.5 138.5 39.8 37.3 -11.8 153 167 A I E -kl 127 178H 3 24,-2.6 26,-2.5 -2,-0.3 2,-0.5 -0.964 10.6-164.9-113.1 128.0 43.0 35.8 -13.4 154 168 A K E -kl 128 179H 9 -27,-2.2 -25,-3.0 -2,-0.5 2,-0.5 -0.961 3.5-159.4-113.1 121.8 45.9 34.8 -11.2 155 169 A L E -kl 129 180H 4 24,-2.9 26,-2.3 -2,-0.5 2,-0.3 -0.874 15.5-133.3 -98.4 129.8 49.3 34.1 -12.7 156 170 A K E - l 0 181H 78 -27,-2.2 2,-0.3 -2,-0.5 -24,-0.2 -0.634 34.7-177.9 -68.0 134.7 51.9 32.0 -10.9 157 171 A I + 0 0 1 24,-2.3 5,-0.2 -2,-0.3 28,-0.1 -0.854 14.2 177.0-130.5 169.3 55.2 33.8 -11.0 158 172 A K B > -R 161 0I 105 3,-1.8 3,-2.7 -2,-0.3 25,-0.1 -0.963 49.9 -62.2-163.2 160.7 58.8 33.2 -9.9 159 173 A P T 3 S+ 0 0 63 0, 0.0 27,-0.0 0, 0.0 31,-0.0 -0.303 126.9 22.5 -52.4 130.1 62.2 34.9 -10.1 160 174 A G T 3 S+ 0 0 56 -3,-0.0 2,-0.2 0, 0.0 4,-0.0 0.254 122.5 61.2 91.0 -9.2 63.1 35.0 -13.9 161 175 A W B < S+R 158 0I 42 -3,-2.7 -3,-1.8 3,-0.1 -27,-0.0 -0.597 76.1 79.5-150.6 83.1 59.4 34.7 -14.9 162 176 A D S > S+ 0 0 0 -5,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.380 85.5 44.5-150.1 -63.7 57.2 37.5 -13.7 163 177 A V H > S+ 0 0 7 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.892 112.3 57.5 -61.5 -37.6 57.3 40.8 -15.6 164 178 A Q H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.960 110.9 37.4 -62.3 -55.0 57.2 38.9 -18.9 165 179 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.904 120.2 49.2 -64.4 -37.2 53.9 36.9 -18.4 166 180 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.928 112.2 47.5 -68.4 -41.6 52.3 39.9 -16.7 167 181 A R H X S+ 0 0 73 -4,-3.4 4,-2.1 -5,-0.2 5,-0.2 0.945 113.7 46.5 -64.1 -48.5 53.4 42.3 -19.4 168 182 A A H X S+ 0 0 9 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.894 114.5 49.0 -62.6 -38.7 52.1 40.1 -22.3 169 183 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.916 112.5 44.3 -67.7 -47.8 48.9 39.4 -20.5 170 184 A R H < S+ 0 0 26 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.796 109.1 58.3 -70.8 -30.9 48.0 43.0 -19.6 171 185 A E H < S+ 0 0 142 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.8 37.2 -60.7 -44.5 49.0 44.1 -23.2 172 186 A A H < S+ 0 0 36 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.767 129.6 34.2 -80.8 -25.8 46.4 41.7 -24.5 173 187 A F < + 0 0 25 -4,-1.9 3,-0.3 -5,-0.1 -1,-0.2 -0.724 64.2 171.8-134.5 82.8 43.9 42.4 -21.6 174 188 A P S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.687 78.8 33.1 -66.1 -21.4 44.0 46.0 -20.5 175 189 A D S S+ 0 0 155 2,-0.1 -5,-0.1 0, 0.0 3,-0.0 0.539 86.0 109.9-120.1 -9.6 41.0 45.9 -18.2 176 190 A I S S- 0 0 38 -3,-0.3 2,-0.7 1,-0.1 -24,-0.1 -0.235 77.4-100.7 -66.1 156.8 40.8 42.4 -16.6 177 191 A R - 0 0 86 -26,-0.2 -24,-2.6 25,-0.1 2,-0.4 -0.715 49.8-175.8 -75.5 114.0 41.4 41.8 -12.9 178 192 A L E +l 153 0H 0 -2,-0.7 25,-2.6 23,-0.4 26,-0.5 -0.931 10.2 164.8-121.5 134.9 44.9 40.4 -12.9 179 193 A T E -lm 154 204H 0 -26,-2.5 -24,-2.9 -2,-0.4 2,-0.3 -0.926 20.5-140.8-137.7 165.6 46.9 39.1 -9.9 180 194 A V E -lm 155 205H 0 24,-1.8 26,-2.8 -2,-0.3 2,-0.6 -0.971 8.2-142.5-131.0 150.6 49.9 37.1 -9.3 181 195 A D E -lm 156 206H 36 -26,-2.3 -24,-2.3 -2,-0.3 26,-0.1 -0.954 14.6-175.5-107.8 113.6 50.9 34.4 -6.8 182 196 A A > - 0 0 0 24,-2.0 3,-1.7 -2,-0.6 25,-0.1 0.532 22.8-148.1 -95.0 -9.4 54.6 34.9 -5.9 183 197 A N T 3 - 0 0 70 23,-0.5 24,-0.1 1,-0.3 28,-0.1 0.766 54.8 -71.6 54.0 38.3 54.7 31.8 -3.7 184 198 A S T 3 S+ 0 0 29 23,-2.2 -1,-0.3 22,-0.4 27,-0.2 0.833 100.4 127.8 51.0 39.7 57.2 33.0 -1.2 185 199 A A < + 0 0 41 -3,-1.7 2,-0.2 22,-0.1 24,-0.2 0.422 50.1 75.3-109.0 6.4 60.0 32.8 -3.8 186 200 A Y - 0 0 9 22,-2.3 2,-0.2 -4,-0.1 24,-0.1 -0.664 56.9-155.7-117.2 165.6 61.3 36.3 -3.5 187 201 A T > - 0 0 80 -2,-0.2 3,-2.0 22,-0.1 4,-0.1 -0.768 43.5 -90.9-127.5 178.8 63.5 38.3 -1.1 188 202 A L G > S+ 0 0 46 1,-0.3 3,-1.7 -2,-0.2 4,-0.2 0.784 121.7 68.3 -65.8 -25.3 63.9 42.1 -0.4 189 203 A A G 3 S+ 0 0 93 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.682 90.7 63.7 -61.1 -20.8 66.6 42.2 -3.0 190 204 A D G <> S+ 0 0 40 -3,-2.0 4,-2.8 1,-0.2 3,-0.5 0.391 70.2 105.2 -86.6 4.8 63.8 41.6 -5.6 191 205 A A H <> S+ 0 0 10 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.895 78.2 49.7 -51.7 -47.3 62.1 44.8 -4.7 192 206 A G H > S+ 0 0 50 -3,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.833 113.1 46.9 -63.3 -34.8 63.3 46.6 -8.0 193 207 A R H >4 S+ 0 0 86 -3,-0.5 3,-0.8 -4,-0.2 4,-0.4 0.922 113.4 46.8 -72.5 -46.3 62.1 43.6 -10.1 194 208 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 0.835 104.8 62.7 -65.5 -29.2 58.7 43.4 -8.4 195 209 A R H >< S+ 0 0 108 -4,-2.4 3,-1.6 -5,-0.3 4,-0.3 0.792 89.4 68.4 -67.3 -26.0 58.3 47.1 -8.7 196 210 A Q G X< S+ 0 0 96 -3,-0.8 3,-0.5 -4,-0.6 -1,-0.3 0.716 90.8 63.5 -63.1 -21.4 58.4 46.7 -12.5 197 211 A L G X S+ 0 0 0 -3,-1.4 3,-2.0 -4,-0.4 5,-0.4 0.698 81.4 84.0 -70.6 -19.4 55.0 45.0 -12.2 198 212 A D G X S+ 0 0 26 -3,-1.6 3,-1.5 -4,-0.3 -1,-0.2 0.820 80.1 59.7 -57.9 -35.9 53.5 48.3 -10.9 199 213 A E G < S+ 0 0 140 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.660 97.5 63.5 -72.0 -10.5 52.9 49.7 -14.3 200 214 A Y G < S- 0 0 25 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.330 102.4-127.2 -97.5 7.9 50.6 46.7 -15.1 201 215 A D < - 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0 0 1 24,-2.1 3,-0.5 -2,-0.3 25,-0.1 0.504 37.0-137.5 -99.0 -5.1 24.6 4.5 -68.3 1287 197 D N T 3 S- 0 0 2 23,-0.4 28,-0.2 1,-0.2 24,-0.1 0.934 74.9 -50.5 39.3 56.4 26.9 4.0 -65.3 1288 198 D S T 3 S+ 0 0 14 23,-2.6 27,-0.3 22,-0.2 -1,-0.2 0.717 99.8 136.1 65.5 34.2 24.5 6.2 -63.2 1289 199 D A < + 0 0 36 -3,-0.5 24,-0.2 22,-0.4 2,-0.1 0.711 50.4 65.3 -88.3 -23.9 24.3 9.1 -65.6 1290 200 D Y - 0 0 6 22,-2.8 24,-0.3 21,-0.2 2,-0.3 -0.372 58.0-152.4 -98.3 173.7 20.5 9.9 -65.5 1291 201 D T > - 0 0 75 22,-0.2 3,-1.9 -2,-0.1 4,-0.0 -0.856 44.0 -91.9-129.3 172.2 17.8 11.1 -63.1 1292 202 D L G > S+ 0 0 41 1,-0.3 3,-1.9 -2,-0.3 4,-0.2 0.761 121.6 72.2 -57.4 -26.5 14.1 10.5 -62.8 1293 203 D A G > S+ 0 0 83 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.902 95.5 53.9 -49.5 -39.5 13.7 13.7 -64.9 1294 204 D D G <> S+ 0 0 34 -3,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.252 73.9 107.0 -83.2 10.1 15.0 11.5 -67.8 1295 205 D A H <> S+ 0 0 10 -3,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.826 76.4 55.5 -62.3 -33.5 12.4 8.8 -67.4 1296 206 D G H <> S+ 0 0 48 -3,-0.6 4,-0.8 -4,-0.2 3,-0.4 0.955 107.8 49.2 -60.9 -50.9 10.6 9.9 -70.6 1297 207 D R H >> S+ 0 0 139 1,-0.2 3,-1.3 -4,-0.2 4,-0.6 0.929 111.6 48.2 -50.7 -52.7 13.8 9.5 -72.5 1298 208 D L H 3< S+ 0 0 1 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.728 101.0 63.7 -68.6 -24.3 14.5 6.0 -71.2 1299 209 D R H >< S+ 0 0 111 -4,-1.5 3,-1.2 -3,-0.4 4,-0.3 0.724 91.1 67.8 -70.9 -20.6 11.0 4.8 -71.9 1300 210 D Q H X< S+ 0 0 104 -3,-1.3 3,-1.3 -4,-0.8 4,-0.3 0.902 90.8 62.7 -61.4 -38.9 11.9 5.4 -75.6 1301 211 D L G >< S+ 0 0 1 -4,-0.6 3,-1.1 -3,-0.4 5,-0.4 0.661 83.1 83.2 -57.0 -18.5 14.3 2.5 -75.2 1302 212 D D G X S+ 0 0 33 -3,-1.2 3,-1.3 1,-0.3 -1,-0.2 0.818 81.1 58.1 -62.7 -35.5 11.3 0.2 -74.4 1303 213 D E G < S+ 0 0 129 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.1 0.772 94.3 69.1 -65.6 -24.4 10.4 -0.5 -78.1 1304 214 D Y G < S- 0 0 10 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.369 102.4-125.7 -83.2 3.5 13.9 -1.9 -78.8 1305 215 D D < - 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