==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-MAR-06 2GGJ . COMPND 2 MOLECULE: N-ACYLAMINO ACID RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR W.C.WANG,W.C.CHIU . 1440 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 995 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 11.4 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 . 16 1.1 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 . 91 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 387 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.2 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 12 7 1 0 4 16 0 2 5 1 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 9 11 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 4 4 0 0 4 0 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 0 270 0, 0.0 2,-0.1 0, 0.0 106,-0.0 0.000 360.0 360.0 360.0 177.1 18.1 24.4 23.2 2 7 A M - 0 0 113 1,-0.1 2,-0.4 70,-0.0 72,-0.2 -0.344 360.0-126.0 -77.0 158.3 21.7 23.1 23.8 3 8 A F E -A 73 0A 2 70,-2.5 70,-3.3 -2,-0.1 2,-0.5 -0.877 10.3-149.8-113.2 142.0 23.3 20.3 21.9 4 9 A K E -A 72 0A 92 -2,-0.4 2,-0.8 68,-0.3 68,-0.2 -0.902 12.4-140.1-104.7 128.2 24.9 17.1 23.2 5 10 A I + 0 0 0 66,-2.1 65,-3.5 -2,-0.5 26,-0.2 -0.796 28.5 168.3 -90.7 107.9 27.8 15.5 21.3 6 11 A E - 0 0 83 24,-2.0 355,-0.5 -2,-0.8 2,-0.3 0.877 57.3 -0.1 -86.3 -40.2 27.3 11.7 21.5 7 12 A A E -BC 30 360B 3 23,-1.2 23,-2.3 353,-0.1 2,-0.3 -0.917 52.6-157.8-149.2 167.8 29.8 10.3 19.0 8 13 A A E -BC 29 359B 0 351,-1.7 351,-3.1 -2,-0.3 2,-0.4 -0.989 4.7-158.4-152.2 140.2 32.5 11.2 16.5 9 14 A E E -BC 28 358B 19 19,-2.2 19,-2.4 -2,-0.3 2,-0.6 -0.980 4.9-156.9-119.5 140.6 34.0 9.5 13.5 10 15 A I E -BC 27 357B 0 347,-1.6 347,-1.5 -2,-0.4 2,-0.5 -0.985 18.1-178.1-109.2 120.6 37.3 10.2 12.0 11 16 A V E -BC 26 356B 1 15,-3.0 15,-3.4 -2,-0.6 2,-0.6 -0.986 11.4-163.7-120.9 126.9 37.4 9.1 8.4 12 17 A V E -BC 25 355B 18 343,-3.2 342,-2.2 -2,-0.5 343,-1.8 -0.937 15.1-175.3-111.2 120.0 40.5 9.4 6.3 13 18 A A E -BC 24 353B 0 11,-2.6 11,-4.2 -2,-0.6 2,-0.7 -0.844 24.4-144.0-116.8 149.7 39.8 9.1 2.6 14 19 A R E -B 23 0B 97 338,-2.9 9,-0.2 -2,-0.3 -2,-0.0 -0.900 25.5-164.0-114.8 98.3 42.2 9.0 -0.4 15 20 A L E -B 22 0B 0 7,-2.5 7,-2.3 -2,-0.7 2,-0.2 -0.704 20.4-117.7 -91.6 128.7 40.4 10.9 -3.2 16 21 A P E -B 21 0B 37 0, 0.0 301,-0.6 0, 0.0 302,-0.4 -0.464 27.4-144.1 -65.7 125.8 41.6 10.5 -6.8 17 22 A L 0 0 62 3,-2.7 300,-0.4 -2,-0.2 299,-0.1 0.096 360.0 360.0 -72.3-162.1 42.7 13.8 -8.4 18 23 A K 0 0 158 297,-0.2 -1,-0.1 296,-0.1 298,-0.0 -0.941 360.0 360.0-150.8 360.0 42.1 14.7 -12.0 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 0 138 0, 0.0 -3,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -51.4 47.6 11.2 -7.9 21 35 A H E -B 16 0B 60 -5,-0.3 2,-0.4 -4,-0.0 -7,-0.0 -0.930 360.0-138.8-138.1 157.4 45.5 11.4 -4.8 22 36 A K E -B 15 0B 35 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.6 -0.986 22.8-131.0-115.8 133.6 44.6 13.8 -1.9 23 37 A V E -B 14 0B 54 -2,-0.4 -9,-0.2 -9,-0.2 21,-0.1 -0.761 24.4-161.9 -79.0 118.7 44.3 12.5 1.6 24 38 A V E -B 13 0B 0 -11,-4.2 -11,-2.6 -2,-0.6 2,-0.5 -0.891 2.2-160.6-109.3 107.3 41.1 13.9 2.9 25 39 A P E -B 12 0B 0 0, 0.0 15,-3.3 0, 0.0 2,-0.4 -0.725 14.3-170.2 -87.7 124.4 40.7 13.7 6.8 26 40 A L E -BD 11 39B 0 -15,-3.4 -15,-3.0 -2,-0.5 2,-0.5 -0.943 16.2-163.4-119.8 138.8 37.1 14.0 7.9 27 41 A L E -BD 10 38B 0 11,-2.4 11,-1.9 -2,-0.4 2,-0.5 -0.977 8.3-169.5-112.2 129.2 35.6 14.5 11.3 28 42 A I E -BD 9 37B 0 -19,-2.4 -19,-2.2 -2,-0.5 2,-0.4 -0.982 4.0-163.0-118.7 118.9 31.8 13.8 11.8 29 43 A L E -BD 8 36B 0 7,-3.1 7,-2.7 -2,-0.5 2,-0.4 -0.873 7.3-158.8-104.7 137.3 30.2 14.8 15.0 30 44 A H E +BD 7 35B 42 -23,-2.3 -24,-2.0 -2,-0.4 -23,-1.2 -0.922 28.0 122.8-116.8 137.5 26.8 13.3 16.0 31 45 A G E > + D 0 34B 3 3,-2.8 3,-2.4 -2,-0.4 -26,-0.1 -0.864 60.1 27.3 177.5 159.0 24.1 14.5 18.3 32 46 A E T 3 S- 0 0 96 1,-0.3 3,-0.1 -2,-0.2 -27,-0.1 0.784 126.7 -64.6 52.2 28.5 20.4 15.5 18.6 33 47 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.553 121.8 87.2 71.6 7.5 19.8 13.1 15.7 34 48 A V E < -D 31 0B 45 -3,-2.4 -3,-2.8 2,-0.0 2,-0.3 -0.728 63.5-142.6-123.1-177.1 21.8 15.2 13.3 35 49 A Q E -D 30 0B 62 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.998 1.1-150.0-150.3 142.5 25.5 15.3 12.4 36 50 A G E -D 29 0B 0 -7,-2.7 -7,-3.1 -2,-0.3 2,-0.3 -0.913 17.0-161.4-115.3 146.9 28.0 17.9 11.5 37 51 A V E +D 28 0B 7 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.930 11.5 172.1-132.2 149.0 31.0 17.2 9.2 38 52 A A E -D 27 0B 0 -11,-1.9 -11,-2.4 -2,-0.3 2,-0.4 -0.982 22.4-128.7-158.2 161.6 34.3 19.0 8.5 39 53 A E E -D 26 0B 8 -2,-0.3 -13,-0.2 -13,-0.2 2,-0.2 -0.927 18.2-128.1-124.1 124.5 37.6 18.4 6.6 40 54 A G - 0 0 0 -15,-3.3 52,-0.1 -2,-0.4 250,-0.1 -0.486 12.5-165.5 -66.0 137.5 41.2 18.7 7.8 41 55 A T + 0 0 7 -2,-0.2 -1,-0.1 50,-0.1 2,-0.1 0.376 53.9 110.0-103.2 7.9 43.4 20.9 5.7 42 56 A M - 0 0 5 10,-0.1 2,-0.2 -17,-0.1 10,-0.2 -0.480 60.8-137.1 -76.7 151.9 46.7 19.7 7.2 43 57 A E B -e 52 0C 65 8,-0.6 10,-1.2 2,-0.3 -2,-0.1 -0.682 25.4-103.8-106.1 161.4 48.9 17.6 4.9 44 58 A A S S+ 0 0 53 -2,-0.2 10,-0.3 8,-0.2 -1,-0.1 0.870 112.9 30.2 -48.4 -42.9 50.9 14.3 5.7 45 59 A R S S- 0 0 96 7,-0.1 2,-1.4 8,-0.1 3,-0.3 -0.808 98.9-103.5-114.9 158.9 54.1 16.5 5.8 46 60 A P + 0 0 0 0, 0.0 765,-2.9 0, 0.0 6,-0.1 -0.613 69.5 129.2 -87.7 82.5 54.3 20.2 6.9 47 61 A M S S+ 0 0 97 -2,-1.4 3,-0.1 763,-0.2 -3,-0.0 0.883 74.4 30.6-103.4 -54.5 54.6 22.0 3.6 48 62 A Y S S- 0 0 30 -3,-0.3 2,-0.2 3,-0.1 -6,-0.1 0.864 137.4 -18.8 -73.6 -40.8 52.0 24.8 3.4 49 63 A R S S- 0 0 31 2,-0.3 762,-0.4 762,-0.1 -6,-0.1 -0.768 82.5 -77.9-149.7-157.5 52.1 25.3 7.2 50 64 A E S S+ 0 0 22 -2,-0.2 -8,-0.0 760,-0.1 760,-0.0 0.743 87.0 89.1 -90.6 -26.6 53.2 23.5 10.3 51 65 A E - 0 0 14 -6,-0.1 -8,-0.6 4,-0.0 2,-0.3 -0.254 54.0-159.1 -74.7 157.9 50.6 21.0 11.3 52 66 A T B > -e 43 0C 6 -10,-0.2 4,-3.8 -6,-0.1 5,-0.2 -0.969 27.7-118.5-132.5 157.0 50.5 17.3 10.1 53 67 A I H > S+ 0 0 21 -10,-1.2 4,-3.2 -2,-0.3 5,-0.4 0.924 115.1 49.2 -55.6 -51.2 47.8 14.6 9.8 54 68 A A H > S+ 0 0 31 -10,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.931 117.3 44.0 -55.6 -45.0 49.5 12.2 12.2 55 69 A G H > S+ 0 0 4 2,-0.2 4,-2.1 723,-0.2 -2,-0.2 0.932 116.4 44.4 -63.1 -50.9 49.8 15.1 14.7 56 70 A A H X S+ 0 0 1 -4,-3.8 4,-2.4 2,-0.2 -2,-0.2 0.924 114.1 49.1 -66.1 -44.6 46.3 16.5 14.2 57 71 A L H X S+ 0 0 11 -4,-3.2 4,-2.7 -5,-0.2 5,-0.4 0.900 110.5 50.1 -63.0 -41.0 44.6 13.1 14.3 58 72 A D H X S+ 0 0 55 -4,-1.8 4,-2.6 -5,-0.4 5,-0.3 0.933 111.8 49.2 -62.2 -42.7 46.4 12.1 17.5 59 73 A L H X>S+ 0 0 1 -4,-2.1 5,-2.5 3,-0.2 4,-1.6 0.889 113.1 48.5 -60.1 -40.6 45.4 15.4 19.0 60 74 A L H <>S+ 0 0 0 -4,-2.4 5,-3.1 3,-0.2 -2,-0.2 0.971 119.9 33.6 -65.4 -55.4 41.8 14.8 17.9 61 75 A R H <5S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.806 127.5 39.1 -76.7 -28.3 41.4 11.3 19.2 62 76 A G H <5S+ 0 0 27 -4,-2.6 -1,-0.2 -5,-0.4 -3,-0.2 0.683 135.2 5.3 -94.3 -18.6 43.6 11.7 22.3 63 77 A T T X5S+ 0 0 12 -4,-1.6 4,-0.7 -5,-0.3 -3,-0.2 0.666 123.9 43.4-133.0 -47.3 42.7 15.2 23.4 64 78 A F H >> S- 0 0 52 -72,-0.1 4,-1.1 -73,-0.1 3,-0.4 -0.939 74.3 -83.4-162.0 172.1 26.9 26.9 20.8 76 90 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.846 122.4 61.0 -57.0 -34.5 30.1 26.3 18.7 77 91 A E H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 100.8 53.4 -63.6 -37.0 32.0 28.9 20.6 78 92 A A H > S+ 0 0 28 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.807 106.3 54.1 -65.5 -29.3 31.4 26.9 23.8 79 93 A V H < S+ 0 0 0 -4,-1.1 3,-0.4 -3,-0.3 4,-0.4 0.968 109.3 46.3 -67.5 -53.8 32.9 23.9 22.0 80 94 A S H >X S+ 0 0 28 -4,-2.4 3,-3.0 1,-0.2 4,-0.6 0.966 110.4 53.5 -46.8 -58.2 36.1 25.8 21.1 81 95 A D H 3< S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 99.3 63.3 -54.3 -30.6 36.3 27.2 24.7 82 96 A A T 3< S+ 0 0 39 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.548 111.8 37.1 -72.9 -7.1 36.2 23.6 26.0 83 97 A L T <4 S+ 0 0 8 -3,-3.0 2,-2.7 -4,-0.4 -2,-0.2 0.707 86.0 117.9 -93.7 -89.8 39.4 22.8 24.2 84 98 A G < + 0 0 42 -4,-0.6 -2,-0.1 1,-0.3 -3,-0.1 -0.156 50.0 73.9 81.1 -47.8 41.1 26.1 24.8 85 99 A S S S+ 0 0 100 -2,-2.7 -1,-0.3 -4,-0.1 -4,-0.0 0.822 76.4 94.1 -74.7 -30.6 44.2 25.4 26.8 86 100 A Y S S- 0 0 60 1,-0.1 2,-0.3 3,-0.0 685,-0.2 -0.195 72.5-123.1 -74.6 156.5 46.3 23.9 24.0 87 101 A R - 0 0 37 683,-2.5 686,-0.1 686,-0.4 -1,-0.1 -0.751 60.2 -26.5-106.4 146.1 48.7 25.8 21.9 88 102 A G S S+ 0 0 14 -2,-0.3 5,-0.1 1,-0.1 687,-0.0 -0.178 76.5 117.3 55.5-148.3 48.7 26.2 18.1 89 103 A N > + 0 0 12 3,-0.1 4,-2.4 1,-0.1 5,-0.2 0.898 33.0 161.8 57.5 47.4 47.2 23.4 16.0 90 104 A R H > + 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.868 67.7 53.6 -74.9 -36.2 44.5 25.6 14.6 91 105 A M H > S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.916 109.7 49.8 -61.2 -42.9 43.6 23.3 11.7 92 106 A A H >> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.957 113.6 45.1 -61.2 -51.3 43.1 20.4 14.1 93 107 A R H 3X S+ 0 0 40 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.854 106.5 61.3 -59.9 -33.6 40.8 22.6 16.3 94 108 A A H 3X S+ 0 0 0 -4,-2.5 4,-3.6 163,-0.3 5,-0.4 0.879 95.7 60.7 -63.4 -33.0 39.1 23.9 13.2 95 109 A M H X S+ 0 0 42 -4,-3.2 4,-1.0 1,-0.3 3,-0.8 0.926 112.8 47.0 -39.6 -65.7 24.6 23.4 15.6 105 119 A A H >X>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.3 4,-1.3 0.839 110.7 53.7 -49.4 -38.5 23.1 24.9 12.5 106 120 A R H 3<5S+ 0 0 55 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.868 102.9 55.1 -70.8 -32.4 21.5 21.6 11.6 107 121 A T H <<5S+ 0 0 48 -4,-2.3 -1,-0.2 -3,-0.8 -2,-0.2 0.720 115.7 41.7 -68.7 -19.4 19.8 21.3 15.0 108 122 A L H <<5S- 0 0 75 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.606 108.0-124.4 -99.7 -16.9 18.3 24.7 14.2 109 123 A G T <5 + 0 0 51 -4,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.646 66.1 134.3 81.1 18.5 17.5 24.0 10.5 110 124 A V < - 0 0 39 -5,-2.1 229,-2.6 -6,-0.2 -1,-0.3 -0.842 62.0-111.9-111.6 134.7 19.5 27.1 9.5 111 125 A P B > -f 339 0D 45 0, 0.0 4,-1.7 0, 0.0 229,-0.2 -0.291 31.7-123.1 -51.5 144.7 22.1 27.5 6.6 112 126 A L H > S+ 0 0 0 227,-2.6 4,-1.3 1,-0.2 5,-0.2 0.901 107.9 54.5 -63.7 -44.5 25.6 28.0 8.1 113 127 A G H >>>S+ 0 0 2 226,-0.3 5,-2.6 1,-0.2 3,-0.6 0.901 105.7 54.6 -58.1 -44.1 26.3 31.3 6.3 114 128 A T H >45S+ 0 0 81 1,-0.3 3,-1.6 3,-0.2 -1,-0.2 0.925 105.7 50.9 -52.8 -53.2 23.1 32.7 7.7 115 129 A L H 3<5S+ 0 0 48 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.741 109.3 52.1 -58.9 -25.3 24.1 31.9 11.3 116 130 A L H <<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.495 125.4-105.9 -93.4 -5.0 27.4 33.6 10.7 117 131 A G T <<5S+ 0 0 55 -3,-1.6 -3,-0.2 -4,-0.5 184,-0.1 0.470 73.7 134.4 104.1 5.5 25.5 36.6 9.5 118 132 A G < - 0 0 7 -5,-2.6 -1,-0.3 -6,-0.2 182,-0.2 -0.431 28.2-179.2 -82.3 158.4 26.0 36.5 5.8 119 133 A H + 0 0 163 180,-1.1 2,-0.3 -2,-0.1 181,-0.1 0.159 36.0 121.5-148.8 30.5 23.3 37.0 3.2 120 134 A K - 0 0 84 179,-0.5 3,-0.1 1,-0.1 179,-0.1 -0.644 43.0-159.9 -83.5 151.7 24.7 36.6 -0.3 121 135 A E S S+ 0 0 165 1,-0.3 213,-2.6 -2,-0.3 2,-0.3 0.652 80.3 29.2-102.3 -23.9 23.1 33.9 -2.4 122 136 A Q E S-G 333 0E 92 211,-0.3 2,-0.4 177,-0.1 -1,-0.3 -0.949 71.9-152.1-131.6 148.2 26.0 33.6 -4.8 123 137 A V E -G 332 0E 6 209,-2.7 209,-3.1 -2,-0.3 2,-0.2 -0.971 21.5-117.6-123.8 145.7 29.7 34.3 -4.2 124 138 A E E -G 331 0E 80 -2,-0.4 183,-2.1 207,-0.2 2,-0.3 -0.531 31.8-160.6 -81.9 148.9 32.2 35.5 -6.8 125 139 A V B -i 307 0F 0 205,-2.0 26,-2.5 181,-0.3 27,-0.4 -0.902 10.8-167.1-135.0 153.6 35.2 33.3 -7.7 126 140 A G - 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0 0 26 -5,-1.9 -24,-0.2 1,-0.1 -1,-0.2 -0.399 29.5-141.9 -54.4 143.6 36.2 34.1 -13.6 151 165 A R S S+ 0 0 79 -26,-2.5 26,-0.3 1,-0.2 2,-0.3 0.475 76.9 30.3-102.6 -4.3 36.3 37.4 -11.8 152 166 A R - 0 0 4 -27,-0.4 -25,-2.0 155,-0.1 2,-0.5 -0.965 66.3-149.6-147.2 144.1 39.9 37.5 -10.7 153 167 A I E -jk 127 178G 3 24,-2.8 26,-3.1 -2,-0.3 2,-0.5 -0.956 11.1-167.1-112.7 127.9 43.0 36.0 -12.1 154 168 A K E -jk 128 179G 8 -27,-2.4 -25,-3.7 -2,-0.5 2,-0.5 -0.952 3.7-160.9-117.0 123.5 45.9 35.0 -9.9 155 169 A L E -jk 129 180G 5 24,-2.3 26,-3.0 -2,-0.5 2,-0.3 -0.873 16.4-133.6-105.8 128.1 49.3 34.2 -11.3 156 170 A K E - k 0 181G 83 -27,-3.0 2,-0.3 -2,-0.5 -24,-0.2 -0.579 35.4-179.5 -63.4 134.9 52.0 32.1 -9.6 157 171 A I - 0 0 0 24,-2.3 5,-0.2 -2,-0.3 28,-0.1 -0.928 12.6-179.3-133.1 162.3 55.3 34.0 -9.9 158 172 A K B > -Q 161 0H 102 3,-2.2 3,-2.8 -2,-0.3 25,-0.1 -0.958 48.1 -66.6-149.8 169.5 58.8 33.4 -8.8 159 173 A P T 3 S+ 0 0 61 0, 0.0 27,-0.0 0, 0.0 31,-0.0 -0.346 127.3 25.2 -59.7 140.2 62.2 35.2 -9.0 160 174 A G T 3 S+ 0 0 58 -3,-0.0 2,-0.2 0, 0.0 4,-0.1 0.124 122.8 60.2 89.3 -19.9 63.1 35.2 -12.7 161 175 A W B < S+Q 158 0H 45 -3,-2.8 -3,-2.2 3,-0.1 -27,-0.0 -0.690 77.7 77.6-144.1 83.5 59.4 34.9 -13.7 162 176 A D S > S+ 0 0 0 -2,-0.2 4,-1.9 -5,-0.2 5,-0.2 0.318 85.6 47.0-149.2 -64.3 57.2 37.8 -12.6 163 177 A V H > S+ 0 0 5 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.901 112.8 55.6 -56.3 -39.5 57.4 41.0 -14.5 164 178 A Q H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.975 109.9 38.9 -64.2 -58.9 57.1 39.0 -17.7 165 179 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.849 120.0 50.1 -61.4 -29.6 53.9 37.0 -17.2 166 180 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.950 112.1 45.0 -73.5 -47.9 52.4 40.1 -15.6 167 181 A R H X S+ 0 0 73 -4,-3.3 4,-2.2 -5,-0.2 5,-0.3 0.991 115.0 47.8 -55.1 -62.2 53.3 42.5 -18.3 168 182 A A H X S+ 0 0 8 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.873 115.5 46.7 -50.0 -41.5 52.2 40.1 -21.0 169 183 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.922 112.0 47.2 -66.2 -45.6 48.9 39.5 -19.1 170 184 A R H < S+ 0 0 28 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.801 109.2 56.8 -70.1 -25.5 48.0 43.2 -18.4 171 185 A E H < S+ 0 0 140 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.902 113.8 38.1 -68.0 -43.3 48.8 44.1 -22.0 172 186 A A H < S+ 0 0 35 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.753 130.6 31.6 -81.2 -25.3 46.3 41.6 -23.3 173 187 A F >< + 0 0 18 -4,-1.9 3,-0.6 -5,-0.1 -1,-0.3 -0.637 64.4 170.2-137.5 75.9 43.8 42.4 -20.5 174 188 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.750 78.9 37.7 -67.2 -21.5 44.1 46.0 -19.4 175 189 A D T 3 S+ 0 0 152 2,-0.1 -5,-0.1 0, 0.0 3,-0.1 0.613 84.0 112.5-107.9 -14.3 41.0 45.9 -17.1 176 190 A I S < S- 0 0 36 -3,-0.6 2,-0.8 1,-0.1 -24,-0.1 -0.207 74.9-105.5 -66.3 153.1 40.8 42.5 -15.4 177 191 A R - 0 0 105 -26,-0.3 -24,-2.8 25,-0.1 2,-0.4 -0.690 51.4-178.4 -73.0 109.6 41.2 42.1 -11.7 178 192 A L E +k 153 0G 0 -2,-0.8 25,-2.6 23,-0.4 26,-0.5 -0.943 12.7 168.3-123.6 132.3 44.7 40.5 -11.5 179 193 A T E -kl 154 204G 1 -26,-3.1 -24,-2.3 -2,-0.4 2,-0.3 -0.874 20.1-138.2-129.9 167.5 46.8 39.4 -8.5 180 194 A V E -kl 155 205G 0 24,-1.8 26,-2.7 -2,-0.3 2,-0.7 -0.970 7.7-140.3-127.1 149.6 50.0 37.4 -8.1 181 195 A D E -kl 156 206G 33 -26,-3.0 -24,-2.3 -2,-0.3 26,-0.1 -0.910 15.6-177.8-103.0 106.0 51.1 34.6 -5.7 182 196 A A > - 0 0 0 24,-1.6 3,-1.9 -2,-0.7 25,-0.1 0.615 23.7-151.9 -85.1 -10.5 54.6 35.3 -4.7 183 197 A N T 3 - 0 0 62 23,-0.6 24,-0.1 1,-0.3 28,-0.1 0.831 54.0 -69.8 53.4 40.3 54.6 32.1 -2.6 184 198 A S T 3 S+ 0 0 27 23,-3.2 -1,-0.3 22,-0.4 27,-0.1 0.723 103.1 123.7 53.4 27.9 57.3 33.2 -0.0 185 199 A A < + 0 0 43 -3,-1.9 2,-0.2 22,-0.2 24,-0.1 0.440 51.6 72.5-102.5 -3.2 60.0 33.0 -2.7 186 200 A Y - 0 0 9 22,-2.2 2,-0.3 -4,-0.1 24,-0.1 -0.579 57.9-153.5-107.6 171.9 61.4 36.5 -2.5 187 201 A T > - 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0 0 76 -2,-0.2 3,-2.1 22,-0.1 4,-0.1 -0.801 42.3 -94.2-129.1 176.7 19.8 -5.4 -33.8 550 202 B L G > S+ 0 0 46 1,-0.3 3,-2.6 -2,-0.2 4,-0.2 0.827 119.9 71.4 -65.8 -29.1 16.0 -5.7 -34.4 551 203 B A G 3 S+ 0 0 93 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.707 91.5 61.5 -52.8 -20.0 15.9 -8.5 -31.9 552 204 B D G <> + 0 0 42 -3,-2.1 4,-2.7 1,-0.2 3,-0.3 0.407 68.2 107.2 -92.2 4.7 16.4 -5.7 -29.4 553 205 B A H <> S+ 0 0 11 -3,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.898 80.2 49.1 -47.0 -47.8 13.2 -4.0 -30.3 554 206 B G H > S+ 0 0 47 -3,-0.4 4,-0.9 -4,-0.2 -1,-0.2 0.857 111.3 48.2 -63.3 -39.7 11.6 -5.1 -26.9 555 207 B R H >4 S+ 0 0 82 -3,-0.3 3,-0.5 -4,-0.2 -1,-0.2 0.916 113.9 46.4 -66.4 -42.1 14.5 -4.0 -24.8 556 208 B L H >< S+ 0 0 0 -4,-2.7 3,-2.7 1,-0.2 4,-0.3 0.895 103.2 63.8 -71.1 -35.1 14.6 -0.6 -26.5 557 209 B R H >< S+ 0 0 104 -4,-2.8 3,-2.3 -5,-0.3 4,-0.4 0.849 89.9 69.0 -52.8 -32.1 10.8 -0.3 -26.1 558 210 B Q T << S+ 0 0 101 -4,-0.9 -1,-0.3 -3,-0.5 3,-0.3 0.634 89.4 64.4 -64.7 -12.5 11.5 -0.3 -22.4 559 211 B L T X S+ 0 0 0 -3,-2.7 3,-1.9 1,-0.2 5,-0.4 0.666 80.3 84.5 -81.1 -17.1 13.0 3.1 -22.9 560 212 B D G X S+ 0 0 25 -3,-2.3 3,-1.8 -4,-0.3 -1,-0.2 0.851 80.3 58.9 -57.8 -42.4 9.7 4.6 -24.0 561 213 B E G 3 S+ 0 0 133 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.655 96.7 65.4 -67.0 -10.8 8.3 5.4 -20.6 562 214 B Y G < S- 0 0 28 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.359 99.6-130.7 -96.2 6.7 11.4 7.6 -19.9 563 215 B D < - 0 0 118 -3,-1.8 -23,-0.4 1,-0.1 2,-0.2 0.893 32.7-175.2 49.1 54.8 10.5 10.2 -22.5 564 216 B L - 0 0 9 -5,-0.4 -23,-0.2 1,-0.1 -1,-0.1 -0.559 32.7-130.2 -74.3 142.9 13.9 10.4 -24.2 565 217 B T S S- 0 0 41 -25,-3.1 2,-0.3 1,-0.3 -24,-0.2 0.912 81.7 -35.0 -61.5 -38.4 14.1 13.1 -26.9 566 218 B C - 0 0 0 -26,-0.5 -24,-1.7 22,-0.1 2,-0.5 -0.970 48.6-117.7-169.6 164.1 15.5 10.3 -29.1 567 219 B I E -ef 542 590Q 0 22,-2.5 24,-2.4 -2,-0.3 2,-0.3 -0.980 41.3-131.7-107.0 125.0 17.7 7.2 -29.4 568 220 B E E -ef 543 591Q 1 -26,-3.3 -24,-1.3 -2,-0.5 -22,-0.4 -0.616 60.8 -35.8 -90.6 130.3 20.7 7.8 -31.7 569 221 B Q + 0 0 0 22,-3.5 -23,-2.8 -2,-0.3 -1,-0.2 0.748 67.7 171.7 27.1 64.8 21.7 5.5 -34.5 570 222 B P + 0 0 0 0, 0.0 -22,-2.5 0, 0.0 -1,-0.1 0.758 60.1 38.6 -66.3 -30.5 20.8 2.1 -32.7 571 223 B L S S- 0 0 7 1,-0.3 -22,-0.1 -24,-0.2 -25,-0.1 -0.225 111.9 -18.5-112.6-160.6 21.3 -0.1 -35.8 572 224 B A > - 0 0 42 1,-0.1 3,-1.1 -2,-0.1 -1,-0.3 -0.031 56.1-128.3 -50.6 142.0 23.8 -0.3 -38.7 573 225 B W T 3 S+ 0 0 45 1,-0.2 -1,-0.1 -27,-0.2 20,-0.1 0.692 109.5 38.8 -59.3 -26.0 25.8 2.9 -39.5 574 226 B D T 3 S+ 0 0 67 21,-0.1 -1,-0.2 22,-0.0 2,-0.2 0.405 97.1 109.7-105.4 3.1 24.8 2.8 -43.1 575 227 B D < + 0 0 2 -3,-1.1 20,-0.1 1,-0.2 -4,-0.1 -0.556 22.1 153.2 -89.1 144.0 21.2 1.7 -42.7 576 228 B L S > S+ 0 0 25 -2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.556 75.0 59.4-116.3 -41.8 17.8 3.5 -43.2 577 229 B V H > S+ 0 0 38 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.850 107.0 44.5 -62.6 -40.8 15.4 0.7 -44.0 578 230 B D H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.864 110.3 56.3 -72.3 -35.3 15.9 -1.3 -40.7 579 231 B H H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 -2,-0.2 0.902 104.9 52.5 -59.7 -46.4 15.7 1.8 -38.6 580 232 B A H X S+ 0 0 5 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.901 108.4 51.2 -54.2 -42.3 12.3 2.6 -40.1 581 233 B E H >X S+ 0 0 55 -4,-1.3 3,-1.0 1,-0.2 4,-0.7 0.968 111.6 46.8 -64.2 -46.2 11.3 -0.9 -39.1 582 234 B L H >X S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 4,-1.2 0.908 103.3 61.7 -60.5 -42.6 12.5 -0.2 -35.6 583 235 B A H 3< S+ 0 0 34 -4,-3.4 -1,-0.3 1,-0.3 3,-0.2 0.806 101.9 55.6 -56.6 -26.5 10.7 3.1 -35.5 584 236 B R H << S+ 0 0 165 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.705 107.4 47.7 -75.6 -20.2 7.5 1.2 -36.0 585 237 B R H << S+ 0 0 92 -3,-1.8 2,-0.3 -4,-0.7 -2,-0.2 0.595 113.8 42.8-101.7 -9.7 8.1 -1.1 -33.0 586 238 B I < - 0 0 7 -4,-1.2 -1,-0.1 -3,-0.2 -29,-0.1 -0.981 64.0-143.6-137.5 150.9 9.0 1.6 -30.4 587 239 B R S S+ 0 0 192 -2,-0.3 -1,-0.1 -30,-0.2 3,-0.1 0.667 71.9 98.8 -89.1 -17.3 7.6 5.1 -29.5 588 240 B T S S- 0 0 8 -32,-0.1 -2,-0.1 1,-0.1 -21,-0.1 -0.539 84.0-109.5 -68.3 126.6 10.8 6.8 -28.7 589 241 B P - 0 0 59 0, 0.0 -22,-2.5 0, 0.0 2,-0.4 -0.245 27.6-132.7 -52.6 146.1 12.0 8.9 -31.7 590 242 B L E -f 567 0Q 2 -24,-0.2 22,-2.2 19,-0.1 23,-1.2 -0.846 13.1-153.5-100.4 142.8 15.1 7.6 -33.6 591 243 B C E -fg 568 613Q 0 -24,-2.4 -22,-3.5 -2,-0.4 2,-0.4 -0.957 9.6-141.6-115.7 131.1 17.9 10.0 -34.5 592 244 B L E + g 0 614Q 0 21,-2.2 23,-2.9 -2,-0.5 -24,-0.1 -0.762 31.6 154.5 -94.2 139.3 20.2 9.3 -37.5 593 245 B D S > S+ 0 0 7 -2,-0.4 3,-1.6 21,-0.2 24,-0.2 0.462 76.1 20.1-122.0 -87.4 23.9 10.0 -37.3 594 246 B E T 3 S+ 0 0 8 1,-0.3 -21,-0.1 -25,-0.1 -2,-0.1 0.791 116.0 67.6 -59.3 -30.6 26.1 8.0 -39.7 595 247 B S T 3 S+ 0 0 6 1,-0.2 2,-0.8 -20,-0.1 -1,-0.3 0.634 89.0 70.1 -68.5 -16.1 23.2 7.1 -42.0 596 248 B V < + 0 0 0 -3,-1.6 -1,-0.2 19,-0.2 3,-0.1 -0.839 45.4 147.5-110.4 97.1 22.7 10.7 -43.2 597 249 B A + 0 0 5 -2,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.310 66.7 19.9-108.6 8.2 25.5 11.9 -45.5 598 250 B S S > S- 0 0 2 1,-0.1 4,-2.3 29,-0.0 3,-0.2 -0.987 82.5 -96.4-163.7 162.9 23.5 14.1 -47.8 599 251 B A H > S+ 0 0 15 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.923 124.6 49.5 -48.5 -48.4 20.4 16.1 -48.3 600 252 B S H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.785 106.9 54.8 -70.5 -27.2 18.9 13.2 -50.2 601 253 B D H > S+ 0 0 22 -3,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.939 110.4 47.4 -61.7 -48.4 19.9 10.8 -47.5 602 254 B A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.959 111.4 48.9 -60.0 -52.8 17.9 13.1 -45.2 603 255 B R H X S+ 0 0 81 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.950 115.0 45.9 -49.8 -53.5 14.9 13.2 -47.5 604 256 B K H X S+ 0 0 16 -4,-2.5 4,-2.1 1,-0.2 6,-0.3 0.930 113.2 49.6 -57.1 -48.2 15.0 9.4 -47.8 605 257 B A H X>S+ 0 0 0 -4,-3.4 5,-2.6 2,-0.2 6,-0.8 0.930 113.8 43.7 -54.0 -52.6 15.4 9.0 -44.0 606 258 B L H <5S+ 0 0 19 -4,-3.0 3,-0.3 1,-0.2 -1,-0.2 0.864 116.6 46.8 -68.3 -34.5 12.5 11.3 -43.0 607 259 B A H <5S+ 0 0 69 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.744 111.4 49.7 -78.9 -28.1 10.1 9.9 -45.6 608 260 B L H <5S- 0 0 53 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.580 112.2-121.8 -77.2 -9.7 10.9 6.3 -44.8 609 261 B G T <5 + 0 0 36 -4,-0.6 -3,-0.2 -3,-0.3 -26,-0.2 0.769 66.0 145.1 67.3 28.1 10.3 7.1 -41.1 610 262 B A S - 0 0 23 -2,-0.6 4,-1.4 26,-0.2 5,-0.2 -0.955 18.3-149.7-115.2 115.4 27.8 16.7 -38.8 618 270 B V T 4>S+ 0 0 4 -2,-0.6 5,-3.6 1,-0.2 4,-0.5 0.794 94.4 45.1 -53.5 -43.3 29.0 19.3 -41.4 619 271 B A T >45S+ 0 0 5 3,-0.2 3,-1.1 1,-0.2 -163,-0.3 0.905 107.9 58.9 -68.6 -42.3 32.1 17.4 -42.7 620 272 B R T 345S+ 0 0 4 1,-0.3 -2,-0.2 -3,-0.2 -1,-0.2 0.828 110.2 42.5 -56.0 -35.4 30.2 14.1 -42.8 621 273 B V T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -169,-0.1 -2,-0.2 0.505 128.5 -93.5 -93.6 -5.5 27.7 15.5 -45.3 622 274 B G T < 5S- 0 0 11 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.2 0.619 73.7 -54.8 107.0 14.6 30.3 17.3 -47.4 623 275 B G S > S+ 0 0 0 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.869 124.4 51.2 -64.1 -46.8 28.3 23.9 -45.2 625 277 B A H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.951 115.6 42.6 -57.6 -51.1 26.2 24.2 -48.3 626 278 B E H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.874 113.9 54.2 -65.5 -33.7 25.2 20.5 -48.2 627 279 B S H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 -2,-0.2 0.927 106.5 49.6 -64.4 -45.6 24.6 20.9 -44.4 628 280 B R H X S+ 0 0 68 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.917 110.2 53.1 -60.0 -39.3 22.3 23.8 -44.9 629 281 B R H X S+ 0 0 111 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.939 109.4 47.2 -58.4 -47.4 20.5 21.6 -47.5 630 282 B V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.972 112.0 51.1 -56.9 -52.2 20.2 18.9 -44.9 631 283 B H H X S+ 0 0 5 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.852 112.9 46.1 -51.3 -41.2 19.0 21.5 -42.4 632 284 B D H X S+ 0 0 70 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.925 109.9 51.2 -74.3 -41.1 16.4 22.7 -44.9 633 285 B V H X S+ 0 0 34 -4,-3.0 4,-0.9 2,-0.2 -2,-0.2 0.955 112.5 48.2 -58.7 -46.6 15.1 19.3 -45.9 634 286 B A H ><>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.3 3,-1.7 0.960 110.9 49.7 -58.0 -52.3 14.7 18.4 -42.3 635 287 B Q H ><5S+ 0 0 72 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.881 104.6 59.3 -52.0 -40.8 12.8 21.7 -41.5 636 288 B S H 3<5S+ 0 0 95 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.732 109.4 43.2 -66.0 -23.5 10.6 21.0 -44.5 637 289 B F T <<5S- 0 0 91 -3,-1.7 -1,-0.3 -4,-0.9 -2,-0.2 0.232 117.7-115.8 -93.9 4.5 9.5 17.8 -42.7 638 290 B G T < 5S+ 0 0 65 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.771 71.4 139.9 63.4 23.7 9.3 19.6 -39.4 639 291 B A < - 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