==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 06-NOV-12 4HVJ . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 319 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.7 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 2 0.6 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 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 0 2 3 1 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A S 0 0 116 0, 0.0 85,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.6 5.5 33.3 94.5 2 1 A M E -a 86 0A 62 83,-0.2 2,-0.5 85,-0.0 85,-0.2 -0.934 360.0-163.9-116.2 138.4 3.6 30.2 93.4 3 2 A V E -a 87 0A 24 83,-2.7 85,-2.7 -2,-0.4 2,-0.4 -0.981 8.1-148.5-125.0 124.7 3.3 29.1 89.8 4 3 A R E -a 88 0A 68 -2,-0.5 24,-1.7 83,-0.2 2,-0.4 -0.825 10.1-166.2 -91.6 132.5 0.8 26.5 88.6 5 4 A Y E -aB 89 27A 0 83,-3.2 85,-2.4 -2,-0.4 2,-0.5 -0.973 4.6-158.4-117.6 136.1 1.5 24.3 85.6 6 5 A F E +aB 90 26A 0 20,-3.1 20,-2.8 -2,-0.4 2,-0.3 -0.941 22.4 172.1-111.2 130.2 -1.1 22.2 83.8 7 6 A Y E - B 0 25A 3 83,-2.1 85,-0.4 -2,-0.5 2,-0.3 -0.914 19.8-172.7-139.6 164.4 0.1 19.2 81.9 8 7 A D E - B 0 24A 16 16,-1.9 16,-2.2 -2,-0.3 2,-0.3 -0.978 10.8-157.6-150.0 151.0 -1.0 16.1 79.9 9 8 A T E - B 0 23A 4 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.949 10.6-148.0-130.3 154.8 0.8 13.2 78.4 10 9 A E E + B 0 22A 20 12,-2.0 11,-2.7 -2,-0.3 12,-1.8 -0.943 35.7 152.5-110.4 143.7 0.2 10.6 75.7 11 10 A F E - B 0 20A 30 -2,-0.4 2,-0.5 9,-0.3 9,-0.2 -0.961 46.9-113.6-157.6 172.6 1.8 7.2 76.2 12 11 A I E + B 0 19A 18 7,-1.9 7,-2.9 -2,-0.3 2,-0.4 -0.988 39.2 178.7-112.7 115.8 1.8 3.4 75.6 13 12 A E E - B 0 18A 29 -2,-0.5 5,-0.2 5,-0.2 253,-0.2 -0.991 20.0-178.9-126.4 140.5 1.1 1.5 78.8 14 13 A D - 0 0 85 3,-1.2 4,-0.1 -2,-0.4 -1,-0.1 -0.083 65.0 -86.5-125.1 28.4 0.8 -2.2 79.1 15 14 A G S S+ 0 0 1 2,-0.3 249,-0.2 249,-0.3 3,-0.1 0.431 124.3 51.9 74.1 -1.3 0.1 -2.6 82.8 16 15 A H S S+ 0 0 103 1,-0.5 160,-0.3 159,-0.1 2,-0.2 0.589 111.0 18.5-122.8 -57.4 3.8 -2.6 83.6 17 16 A T - 0 0 30 158,-0.1 -3,-1.2 2,-0.0 -1,-0.5 -0.713 59.8-138.4-116.2 168.1 5.6 0.3 82.1 18 17 A I E -B 13 0A 10 156,-0.4 2,-0.8 -2,-0.2 -5,-0.2 -0.971 17.1-159.5-127.3 108.7 4.5 3.7 80.7 19 18 A E E -B 12 0A 80 -7,-2.9 -7,-1.9 -2,-0.5 2,-0.2 -0.827 21.1-129.9 -95.9 110.2 6.3 4.6 77.5 20 19 A L E +B 11 0A 3 -2,-0.8 20,-0.3 -9,-0.2 -9,-0.3 -0.421 32.5 171.5 -66.1 123.5 6.1 8.3 77.0 21 20 A I E - 0 0 0 -11,-2.7 16,-2.3 1,-0.4 2,-0.3 0.846 65.5 -19.0 -88.9 -52.5 4.9 9.5 73.6 22 21 A S E -BC 10 36A 0 -12,-1.8 -12,-2.0 14,-0.2 -1,-0.4 -0.981 50.7-153.2-154.7 162.4 4.4 13.2 74.3 23 22 A I E -BC 9 35A 0 12,-2.3 12,-2.1 -2,-0.3 2,-0.4 -0.997 4.2-169.3-142.4 141.0 4.0 15.8 76.9 24 23 A G E -BC 8 34A 0 -16,-2.2 -16,-1.9 -2,-0.3 2,-0.4 -0.994 8.1-175.9-129.0 132.6 2.4 19.3 76.9 25 24 A V E -BC 7 33A 4 8,-2.6 8,-3.0 -2,-0.4 2,-0.4 -0.997 4.1-173.8-131.8 134.9 2.8 21.7 79.7 26 25 A V E -BC 6 32A 3 -20,-2.8 -20,-3.1 -2,-0.4 6,-0.2 -0.997 12.2-149.4-129.0 126.8 1.1 25.1 80.1 27 26 A A E > -B 5 0A 0 4,-2.4 3,-1.7 -2,-0.4 -22,-0.2 -0.599 28.0-114.3 -86.8 161.7 1.9 27.6 82.9 28 27 A E T 3 S+ 0 0 49 -24,-1.7 -23,-0.1 1,-0.3 -1,-0.1 0.705 115.4 62.9 -65.5 -24.1 -0.6 30.1 84.3 29 28 A D T 3 S- 0 0 91 -25,-0.2 -1,-0.3 2,-0.1 -26,-0.0 0.413 125.1 -99.5 -83.8 0.5 1.4 33.0 82.9 30 29 A G S < S+ 0 0 45 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.0 0.290 75.3 142.0 101.1 -11.8 0.7 31.6 79.3 31 30 A R - 0 0 53 47,-0.1 -4,-2.4 -5,-0.1 2,-0.4 -0.369 31.7-161.4 -66.5 148.0 4.0 29.8 78.7 32 31 A E E -C 26 0A 91 -6,-0.2 2,-0.4 2,-0.0 -6,-0.2 -0.991 13.6-173.9-135.7 139.1 3.8 26.5 76.8 33 32 A Y E +C 25 0A 20 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.3 -0.993 8.2 171.2-128.0 143.4 6.0 23.5 76.3 34 33 A Y E +C 24 0A 24 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.975 3.4 163.7-148.1 134.1 5.4 20.5 74.0 35 34 A A E -C 23 0A 0 -12,-2.1 -12,-2.3 -2,-0.3 2,-0.4 -0.995 23.9-148.6-148.3 156.5 7.6 17.6 73.0 36 35 A V E -Cd 22 65A 0 28,-2.1 30,-3.2 -2,-0.3 2,-0.3 -0.979 29.5-120.9-121.1 130.6 7.4 14.2 71.4 37 36 A S E - d 0 66A 1 -16,-2.3 3,-0.4 -2,-0.4 30,-0.2 -0.553 9.4-158.1 -77.7 133.0 9.9 11.4 72.5 38 37 A T S S+ 0 0 78 28,-1.9 29,-0.1 -2,-0.3 -1,-0.1 0.364 87.5 68.1 -82.9 1.5 12.1 9.9 69.9 39 38 A E S S+ 0 0 109 27,-0.3 -1,-0.2 -19,-0.2 2,-0.1 0.567 70.9 94.9-107.0 -10.7 12.5 6.9 72.3 40 39 A F S S- 0 0 16 -3,-0.4 -19,-0.0 -20,-0.3 -20,-0.0 -0.510 73.2-126.2 -74.3 155.0 9.0 5.2 72.4 41 40 A D > - 0 0 94 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.877 13.6-162.2-104.9 107.9 8.5 2.3 70.0 42 41 A P G > S+ 0 0 64 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.771 87.1 69.0 -65.1 -21.7 5.4 2.8 67.8 43 42 A E G 3 S+ 0 0 68 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.781 96.2 56.4 -59.9 -28.3 5.2 -0.9 66.9 44 43 A R G < S+ 0 0 64 -3,-1.9 -1,-0.3 2,-0.0 2,-0.2 0.532 83.5 111.9 -86.5 -4.2 4.3 -1.5 70.5 45 44 A A < - 0 0 3 -3,-1.5 -33,-0.1 -4,-0.3 0, 0.0 -0.471 66.2-127.4 -71.0 135.7 1.2 0.8 70.4 46 45 A G > - 0 0 47 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.168 34.4 -94.4 -71.5 173.1 -2.2 -0.7 70.6 47 46 A S H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.871 123.4 55.4 -62.3 -37.3 -4.9 -0.0 68.0 48 47 A W H > S+ 0 0 125 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.931 112.0 41.6 -62.5 -45.6 -6.4 2.9 70.0 49 48 A V H >>S+ 0 0 21 1,-0.2 5,-2.3 2,-0.2 4,-2.1 0.901 112.0 58.2 -67.3 -40.1 -3.1 4.8 70.3 50 49 A R H <5S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.806 117.0 31.6 -55.0 -36.5 -2.4 3.9 66.6 51 50 A T H <5S+ 0 0 85 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.792 130.2 30.1 -98.4 -32.9 -5.5 5.6 65.4 52 51 A H H <5S+ 0 0 75 -4,-2.4 87,-0.4 -5,-0.2 -3,-0.2 0.676 127.9 26.7-102.1 -23.1 -6.1 8.4 67.9 53 52 A V T ><5S+ 0 0 1 -4,-2.1 3,-1.4 -5,-0.4 4,-0.3 0.844 112.0 52.2-109.1 -56.0 -2.6 9.5 69.1 54 53 A L G > - 0 0 94 0, 0.0 3,-1.9 0, 0.0 6,-0.2 -0.231 48.2-105.0 -60.5 159.6 6.2 15.2 61.1 60 59 A P T 3 S+ 0 0 120 0, 0.0 5,-0.1 0, 0.0 -3,-0.0 0.750 116.5 54.2 -65.4 -28.2 9.4 13.3 61.7 61 60 A A T 3 S+ 0 0 100 3,-0.0 2,-0.1 2,-0.0 0, 0.0 0.473 80.0 116.9 -87.4 -0.2 11.8 16.2 60.9 62 61 A S X - 0 0 36 -3,-1.9 3,-1.7 1,-0.1 0, 0.0 -0.441 68.9-135.2 -63.2 136.8 10.1 18.6 63.3 63 62 A Q T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.454 98.0 84.9 -71.2 -4.0 12.4 19.7 66.2 64 63 A L T 3 S+ 0 0 61 -5,-0.2 -28,-2.1 -29,-0.1 2,-0.4 0.765 71.7 89.5 -62.6 -25.7 9.5 19.1 68.4 65 64 A W E < +d 36 0A 60 -3,-1.7 2,-0.3 -6,-0.2 -28,-0.2 -0.635 63.8 165.5 -72.3 122.5 10.8 15.5 68.4 66 65 A R E -d 37 0A 64 -30,-3.2 -28,-1.9 -2,-0.4 -27,-0.3 -0.962 37.9-105.2-140.0 159.6 13.3 15.2 71.3 67 66 A S > - 0 0 28 -2,-0.3 4,-2.1 -30,-0.2 5,-0.2 -0.349 39.1-108.4 -77.0 164.0 15.2 12.6 73.3 68 67 A R H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 121.0 51.9 -61.4 -42.0 14.1 11.8 76.8 69 68 A Q H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 108.8 50.3 -59.4 -44.1 17.2 13.5 78.2 70 69 A Q H > S+ 0 0 102 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.880 109.8 51.0 -61.8 -38.3 16.4 16.7 76.2 71 70 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 109.8 49.9 -67.4 -39.6 12.8 16.7 77.5 72 71 A R H X S+ 0 0 70 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.951 114.4 43.8 -59.9 -50.7 14.0 16.4 81.1 73 72 A L H X S+ 0 0 92 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.919 112.4 53.5 -62.7 -41.6 16.5 19.3 80.6 74 73 A D H X S+ 0 0 33 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.898 110.7 47.7 -57.7 -41.6 13.8 21.2 78.7 75 74 A L H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.848 105.6 55.7 -71.9 -35.4 11.4 20.7 81.7 76 75 A E H <>S+ 0 0 43 -4,-2.2 5,-1.9 2,-0.2 6,-0.4 0.882 114.6 42.4 -64.3 -36.6 13.9 21.7 84.3 77 76 A E H ><5S+ 0 0 151 -4,-1.8 3,-1.1 3,-0.2 -2,-0.2 0.945 115.8 47.0 -70.0 -51.4 14.3 25.0 82.4 78 77 A F H 3<5S+ 0 0 21 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.866 114.9 46.2 -62.3 -39.7 10.5 25.5 81.7 79 78 A L T 3<5S- 0 0 4 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.512 104.2-134.4 -79.3 -5.7 9.6 24.8 85.3 80 79 A R T X 5 + 0 0 107 -3,-1.1 3,-1.9 -4,-0.2 5,-0.4 0.901 38.0 170.1 56.4 49.4 12.4 27.1 86.5 81 80 A I T 3 + 0 0 4 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.032 26.5 114.0-110.0 24.4 -3.5 12.4 86.1 95 94 A A H > S+ 0 0 10 180,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.953 90.9 38.9 -61.1 -47.6 -2.2 9.4 88.0 96 95 A Y H > S+ 0 0 16 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.844 113.4 57.5 -74.2 -33.7 -0.4 7.9 85.0 97 96 A D H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.879 105.1 50.6 -57.4 -46.9 0.6 11.4 83.8 98 97 A H H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.906 111.7 46.8 -61.6 -44.8 2.4 12.0 87.1 99 98 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.928 112.5 50.6 -61.2 -44.8 4.3 8.7 86.9 100 99 A A H < S+ 0 0 2 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.918 112.6 46.8 -60.3 -42.4 5.2 9.4 83.2 101 100 A L H >< S+ 0 0 5 -4,-2.6 3,-1.3 1,-0.2 4,-0.3 0.938 113.2 47.4 -62.2 -51.8 6.5 12.9 84.2 102 101 A C H >X S+ 0 0 1 -4,-2.7 3,-2.5 1,-0.3 4,-1.5 0.866 101.7 65.0 -61.0 -36.5 8.5 11.6 87.2 103 102 A Q T 3< S+ 0 0 16 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.658 83.9 75.6 -67.8 -11.5 10.0 8.8 85.1 104 103 A L T <4 S+ 0 0 13 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.748 108.1 32.1 -63.1 -25.3 11.7 11.4 83.0 105 104 A W T <4 S- 0 0 35 -3,-2.5 -2,-0.2 1,-0.4 -1,-0.2 0.702 119.1-113.8-100.3 -27.7 14.1 11.8 86.0 106 105 A G S < S+ 0 0 14 -4,-1.5 -1,-0.4 67,-0.1 67,-0.3 -0.994 77.4 10.6 133.3-142.0 14.0 8.1 87.3 107 106 A P S > S- 0 0 43 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.315 89.1-103.0 -60.0 159.6 12.5 6.9 90.6 108 107 A M G > S+ 0 0 40 1,-0.3 3,-1.4 2,-0.2 64,-0.1 0.749 121.1 68.7 -66.1 -19.0 10.5 9.7 92.2 109 108 A T G 3 S+ 0 0 124 1,-0.2 -1,-0.3 8,-0.0 8,-0.0 0.748 91.9 61.8 -67.2 -22.7 13.4 10.3 94.7 110 109 A A G < S+ 0 0 47 -3,-2.1 -1,-0.2 -8,-0.1 -2,-0.2 0.497 77.4 118.0 -77.7 -7.2 15.4 11.5 91.6 111 110 A L S < S- 0 0 6 -3,-1.4 6,-0.0 -4,-0.3 -9,-0.0 -0.302 81.0 -94.3 -58.4 142.1 12.9 14.4 91.1 112 111 A P > - 0 0 9 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.316 39.4-108.1 -57.6 146.5 14.5 17.8 91.5 113 112 A P T 3 S+ 0 0 125 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.746 115.2 45.9 -49.2 -33.7 14.1 19.2 95.0 114 113 A T T 3 S+ 0 0 59 -33,-0.1 -27,-0.5 2,-0.1 -32,-0.0 0.509 87.5 96.3 -94.8 -3.1 11.5 21.9 94.1 115 114 A V S < S- 0 0 1 -3,-2.1 -27,-0.1 -29,-0.1 -4,-0.0 -0.717 82.3-115.1 -84.0 131.9 9.2 19.7 91.9 116 115 A P - 0 0 21 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.321 8.6-134.0 -70.1 155.2 6.3 18.5 93.9 117 116 A R S S+ 0 0 90 -6,-0.0 2,-0.3 2,-0.0 -9,-0.0 0.167 87.2 47.6 -90.9 12.0 5.9 14.8 94.6 118 117 A F S S- 0 0 20 135,-0.1 2,-0.5 -20,-0.0 -29,-0.4 -0.984 71.6-137.2-148.9 154.9 2.2 14.9 93.7 119 118 A T - 0 0 7 -2,-0.3 -29,-0.2 132,-0.3 2,-0.1 -0.974 29.2-120.4-113.1 126.5 0.1 16.3 91.0 120 119 A R E -e 90 0A 16 -31,-2.7 -29,-2.3 -2,-0.5 2,-0.8 -0.430 25.5-122.3 -66.7 140.3 -3.2 18.0 92.0 121 120 A E E >> -e 91 0A 7 -31,-0.2 4,-1.7 1,-0.2 3,-0.6 -0.766 19.2-166.6 -96.5 105.6 -6.3 16.4 90.5 122 121 A L H 3> S+ 0 0 0 -31,-3.5 4,-2.4 -2,-0.8 -30,-0.2 0.826 87.9 58.7 -63.7 -29.6 -8.3 18.9 88.5 123 122 A R H 3> S+ 0 0 80 -32,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.821 103.6 52.3 -69.9 -29.2 -11.3 16.7 88.4 124 123 A Q H <> S+ 0 0 1 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.935 109.9 48.3 -71.1 -43.7 -11.5 16.6 92.2 125 124 A L H X S+ 0 0 5 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.916 109.7 53.7 -58.8 -46.0 -11.4 20.5 92.3 126 125 A W H ><>S+ 0 0 49 -4,-2.4 5,-2.3 1,-0.2 3,-0.7 0.942 111.8 43.0 -51.7 -53.1 -14.1 20.6 89.6 127 126 A E H ><5S+ 0 0 46 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.851 110.7 57.2 -66.6 -34.4 -16.5 18.3 91.6 128 127 A D H 3<5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.740 104.6 52.3 -67.4 -23.8 -15.6 20.2 94.8 129 128 A R T <<5S- 0 0 121 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.177 131.6 -91.5 -96.9 17.4 -16.8 23.5 93.2 130 129 A G T < 5 - 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0 0 82 -2,-0.2 3,-1.3 1,-0.1 4,-0.6 -0.842 14.2-160.0 -95.9 107.2 11.3 -9.9 94.5 200 41 B P G >4 S+ 0 0 68 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.724 87.9 66.0 -57.2 -26.5 12.7 -8.8 97.9 201 42 B E G 34 S+ 0 0 66 1,-0.2 7,-0.1 -3,-0.1 -3,-0.0 0.821 95.7 56.8 -66.6 -33.0 16.2 -8.7 96.6 202 43 B R G <4 S+ 0 0 105 -3,-1.3 -1,-0.2 -32,-0.0 -4,-0.0 0.753 81.8 114.6 -70.4 -24.8 15.3 -5.8 94.3 203 44 B A << - 0 0 4 -4,-0.6 -33,-0.1 -3,-0.5 2,-0.0 -0.146 66.6-126.1 -49.8 133.2 14.2 -3.7 97.2 204 45 B G > - 0 0 41 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.226 33.3 -92.3 -69.8 171.2 16.3 -0.6 97.9 205 46 B S H > S+ 0 0 95 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.858 124.2 53.0 -54.7 -41.1 17.8 0.1 101.2 206 47 B W H > S+ 0 0 146 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.910 110.9 44.7 -69.2 -43.2 14.9 2.2 102.4 207 48 B V H >>S+ 0 0 19 1,-0.2 5,-2.4 3,-0.2 4,-1.4 0.869 109.1 59.5 -64.5 -38.5 12.3 -0.5 101.6 208 49 B R H <5S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 117.5 29.0 -59.0 -32.4 14.5 -3.2 103.2 209 50 B T H <5S+ 0 0 87 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.758 130.6 31.9-101.8 -33.7 14.6 -1.4 106.6 210 51 B H H <5S+ 0 0 82 -4,-2.2 90,-0.3 -5,-0.2 -3,-0.2 0.790 128.3 23.6 -96.5 -35.9 11.2 0.4 106.8 211 52 B V T ><5S+ 0 0 1 -4,-1.4 3,-1.0 -5,-0.4 4,-0.2 0.900 113.8 53.4-100.8 -52.9 8.7 -1.7 104.8 212 53 B L G > - 0 0 93 0, 0.0 3,-2.9 0, 0.0 6,-0.2 -0.305 44.5-110.4 -55.6 145.7 5.2 -14.2 108.6 218 59 B P T 3 S+ 0 0 123 0, 0.0 5,-0.1 0, 0.0 -3,-0.0 0.623 116.9 61.9 -60.9 -18.5 5.3 -16.2 105.3 219 60 B A T 3 S+ 0 0 98 3,-0.0 0, 0.0 2,-0.0 0, 0.0 0.626 80.2 114.6 -75.5 -15.6 2.8 -18.7 106.7 220 61 B S S X S- 0 0 37 -3,-2.9 3,-1.7 1,-0.2 0, 0.0 -0.293 70.2-137.3 -62.0 137.8 0.2 -15.9 106.9 221 62 B Q T 3 S+ 0 0 80 1,-0.3 -1,-0.2 -28,-0.0 -2,-0.0 0.488 97.6 82.6 -69.9 -1.4 -2.8 -16.2 104.7 222 63 B L T 3 S+ 0 0 56 -5,-0.2 -28,-2.2 -29,-0.1 2,-0.5 0.733 70.4 89.3 -72.9 -21.3 -2.3 -12.5 104.1 223 64 B W E < +i 194 0B 68 -3,-1.7 2,-0.3 -6,-0.2 -28,-0.2 -0.699 63.0 163.2 -79.6 121.0 0.3 -13.5 101.5 224 65 B R E -i 195 0B 71 -30,-2.6 -28,-2.2 -2,-0.5 -27,-0.3 -0.917 40.4-102.7-138.9 156.2 -1.5 -13.8 98.1 225 66 B S > - 0 0 45 -2,-0.3 4,-2.0 -30,-0.2 5,-0.1 -0.398 38.5-111.7 -72.3 163.7 -0.9 -14.0 94.4 226 67 B R H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.871 119.6 53.2 -65.4 -40.6 -1.6 -10.9 92.3 227 68 B Q H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 108.8 50.5 -59.2 -41.5 -4.5 -12.6 90.6 228 69 B Q H > S+ 0 0 82 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.924 108.7 50.7 -64.9 -41.4 -6.0 -13.5 94.0 229 70 B I H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.909 108.9 52.7 -61.5 -41.5 -5.7 -9.8 95.2 230 71 B R H X S+ 0 0 48 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.949 111.9 44.9 -58.7 -51.1 -7.5 -8.7 92.1 231 72 B L H X S+ 0 0 78 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.923 111.7 52.8 -59.7 -45.0 -10.3 -11.1 92.8 232 73 B D H X S+ 0 0 14 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.883 110.6 48.1 -55.9 -42.6 -10.4 -10.1 96.4 233 74 B L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.861 104.9 57.2 -71.3 -34.6 -10.6 -6.4 95.4 234 75 B E H <>S+ 0 0 46 -4,-2.3 5,-2.1 1,-0.2 4,-0.3 0.938 115.4 39.4 -59.4 -43.7 -13.4 -7.0 92.9 235 76 B E H ><5S+ 0 0 152 -4,-1.9 3,-0.7 3,-0.2 -2,-0.2 0.909 117.2 48.9 -66.8 -47.9 -15.4 -8.6 95.8 236 77 B F H 3<5S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.908 115.4 42.6 -65.4 -42.7 -14.3 -6.0 98.4 237 78 B L T 3<5S- 0 0 4 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.530 104.7-133.4 -78.0 -6.7 -15.0 -3.0 96.3 238 79 B R T X 5 - 0 0 121 -3,-0.7 3,-1.5 -4,-0.3 -3,-0.2 0.949 31.0-179.1 51.1 60.2 -18.4 -4.6 95.2 239 80 B I T 3 + 0 0 2 -87,-0.2 3,-2.6 26,-0.1 -1,-0.2 -0.589 56.2 106.2 68.4-116.0 -2.8 8.5 94.4 253 94 B A T 3> S+ 0 0 9 -2,-0.5 4,-2.4 1,-0.3 3,-0.3 -0.334 97.1 17.4 37.3-106.1 -0.3 8.8 91.6 254 95 B Y H 3> S+ 0 0 6 1,-0.2 4,-2.5 -2,-0.2 -1,-0.3 0.857 131.5 52.8 -56.6 -35.5 2.0 5.8 92.2 255 96 B D H <> S+ 0 0 19 -3,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.887 108.5 48.0 -64.3 -44.4 -0.6 4.3 94.5 256 97 B H H > S+ 0 0 1 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.905 113.5 47.6 -62.2 -44.8 -3.4 4.5 91.9 257 98 B V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.944 111.3 51.2 -64.9 -45.1 -1.2 3.0 89.2 258 99 B A H < S+ 0 0 3 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.929 114.5 43.8 -55.8 -48.0 -0.1 0.2 91.6 259 100 B L H >< S+ 0 0 5 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.957 116.5 45.5 -59.7 -52.2 -3.7 -0.6 92.4 260 101 B C H >< S+ 0 0 4 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.828 99.3 68.9 -67.6 -29.4 -5.0 -0.3 88.9 261 102 B Q G >< S+ 0 0 12 -4,-2.9 3,-1.6 1,-0.3 -1,-0.3 0.643 79.3 81.0 -65.7 -12.4 -2.1 -2.5 87.5 262 103 B L G < S+ 0 0 9 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.669 97.3 43.4 -60.8 -19.6 -3.7 -5.4 89.3 263 104 B W G < S- 0 0 23 -3,-2.2 -1,-0.3 1,-0.4 -2,-0.2 0.330 114.7-124.5-101.3 1.2 -6.0 -5.5 86.3 264 105 B G S < S+ 0 0 19 -3,-1.6 -1,-0.4 -249,-0.2 -249,-0.3 -0.718 72.3 17.3 87.3-136.2 -3.3 -5.0 83.7 265 106 B P S > S- 0 0 47 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.139 83.7-102.9 -69.6 170.0 -3.7 -2.1 81.3 266 107 B M G > S+ 0 0 72 1,-0.3 3,-1.6 2,-0.2 -252,-0.1 0.847 119.3 62.7 -59.2 -36.6 -6.1 0.9 81.8 267 108 B T G 3 S+ 0 0 129 1,-0.3 -1,-0.3 0, 0.0 -3,-0.1 0.762 99.9 54.8 -59.3 -28.5 -8.5 -0.6 79.3 268 109 B A G < S+ 0 0 49 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.383 76.2 117.9 -90.6 3.8 -9.0 -3.7 81.5 269 110 B L S < S- 0 0 9 -3,-1.6 -9,-0.0 -4,-0.2 6,-0.0 -0.497 81.0 -96.6 -73.3 139.0 -10.0 -1.8 84.7 270 111 B P > - 0 0 12 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.308 35.1-119.8 -56.2 140.0 -13.6 -2.7 85.8 271 112 B P T 3 S+ 0 0 122 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 0.685 109.9 52.9 -55.2 -26.7 -16.0 -0.0 84.4 272 113 B T T 3 S+ 0 0 68 -33,-0.1 -27,-0.6 2,-0.1 -32,-0.0 0.519 85.7 95.5 -91.0 -6.0 -17.2 1.0 87.9 273 114 B V S < S- 0 0 2 -3,-2.4 -27,-0.1 -29,-0.1 -4,-0.0 -0.744 84.3-115.9 -84.6 126.5 -13.7 1.6 89.3 274 115 B P - 0 0 18 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.335 8.6-138.5 -62.6 142.9 -12.8 5.3 89.0 275 116 B R S S+ 0 0 93 -4,-0.1 2,-0.3 -6,-0.0 -180,-0.3 0.361 86.2 50.1 -79.8 0.4 -9.9 6.2 86.8 276 117 B F S S- 0 0 8 -182,-0.1 2,-0.5 -181,-0.1 -29,-0.5 -0.977 73.5-136.8-139.1 155.1 -8.7 8.7 89.3 277 118 B T - 0 0 6 -2,-0.3 2,-0.3 -26,-0.1 -29,-0.2 -0.916 23.9-125.6-108.8 129.5 -8.0 8.7 93.0 278 119 B R E -j 248 0B 23 -31,-2.7 -29,-2.2 -2,-0.5 2,-0.6 -0.662 29.1-131.0 -71.2 137.0 -9.2 11.7 95.1 279 120 B E E > -j 249 0B 8 -2,-0.3 4,-2.1 -31,-0.2 3,-0.4 -0.813 15.5-161.7-103.4 117.2 -6.3 13.0 97.0 280 121 B L H > S+ 0 0 0 -31,-2.9 4,-2.8 -2,-0.6 5,-0.2 0.867 93.3 60.8 -59.1 -39.9 -6.5 13.7 100.7 281 122 B R H > S+ 0 0 58 -31,-2.2 4,-1.8 -32,-0.3 -1,-0.2 0.851 106.3 46.3 -52.2 -42.3 -3.5 16.0 100.6 282 123 B Q H > S+ 0 0 3 -32,-0.4 4,-3.1 -3,-0.4 -2,-0.2 0.938 113.0 49.5 -68.7 -50.3 -5.4 18.3 98.2 283 124 B L H X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.897 109.3 51.9 -51.3 -47.9 -8.6 18.2 100.3 284 125 B W H <>S+ 0 0 61 -4,-2.8 5,-2.2 2,-0.2 3,-0.4 0.943 113.3 44.4 -57.2 -48.6 -6.6 19.0 103.5 285 126 B E H ><5S+ 0 0 65 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.930 108.3 57.6 -64.6 -44.1 -5.0 22.0 101.7 286 127 B D H 3<5S+ 0 0 52 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 104.1 54.3 -54.0 -33.5 -8.4 23.0 100.3 287 128 B R T 3<5S- 0 0 110 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.100 130.3 -92.0 -89.1 22.4 -9.7 23.2 103.9 288 129 B G T < 5 - 0 0 65 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.646 64.0 -79.2 82.0 15.1 -7.0 25.6 105.1 289 130 B C < - 0 0 54 -5,-2.2 -1,-0.2 -6,-0.2 -4,-0.2 0.933 59.3-149.7 59.9 52.3 -4.5 23.0 106.3 290 131 B P - 0 0 42 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.091 26.8 -96.4 -45.7 145.8 -6.1 22.2 109.7 291 132 B R - 0 0 107 1,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.528 53.0-160.4 -60.1 135.8 -3.8 21.1 112.5 292 133 B M - 0 0 45 -2,-0.2 3,-0.1 1,-0.1 20,-0.0 -0.813 22.0 -87.8-121.2 161.3 -4.0 17.3 112.3 293 134 B P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 19,-0.0 -0.251 58.2 -86.9 -62.7 161.7 -3.3 14.5 114.8 294 135 B P - 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.217 51.2 -89.0 -67.5 158.2 0.3 13.2 114.8 295 136 B R - 0 0 86 1,-0.1 4,-0.1 -3,-0.1 -3,-0.0 -0.474 50.8-107.1 -70.2 135.6 1.4 10.3 112.5 296 137 B P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.035 23.6-111.5 -64.3 170.2 0.9 6.8 113.9 297 138 B R S S+ 0 0 107 1,-0.2 2,-1.9 2,-0.1 3,-0.2 0.880 108.0 63.0 -73.2 -45.0 3.7 4.5 115.2 298 139 B D S > S+ 0 0 38 1,-0.2 3,-1.1 2,-0.0 -1,-0.2 -0.557 72.5 174.9 -79.0 75.5 3.6 1.8 112.5 299 140 B V T 3 + 0 0 69 -2,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.860 66.0 35.9 -58.2 -46.1 4.5 4.3 109.8 300 141 B H T 3 S+ 0 0 12 -90,-0.3 2,-0.5 -3,-0.2 -1,-0.2 -0.165 80.0 114.8-112.2 39.7 4.9 2.0 106.7 301 142 B D <> - 0 0 33 -3,-1.1 4,-2.7 1,-0.1 5,-0.2 -0.949 60.7-142.1-104.0 124.8 2.2 -0.7 107.2 302 143 B A H > S+ 0 0 0 -2,-0.5 4,-2.4 1,-0.2 -120,-0.3 0.843 97.1 45.8 -65.0 -36.9 -0.3 -0.3 104.3 303 144 B L H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.903 112.9 49.2 -70.3 -43.8 -3.4 -1.1 106.4 304 145 B V H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.920 112.8 50.0 -58.9 -44.1 -2.4 1.1 109.4 305 146 B D H X S+ 0 0 40 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.955 110.4 48.7 -59.4 -53.1 -1.8 3.9 106.8 306 147 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.904 110.9 50.6 -55.3 -49.9 -5.2 3.4 105.1 307 148 B R H X S+ 0 0 102 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.908 109.2 50.6 -49.2 -49.3 -7.0 3.5 108.5 308 149 B D H X S+ 0 0 27 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.880 106.6 55.6 -64.9 -35.4 -5.3 6.6 109.5 309 150 B Q H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.883 106.9 49.2 -63.3 -40.3 -6.3 8.2 106.2 310 151 B L H X S+ 0 0 18 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.938 109.6 53.5 -64.6 -42.4 -9.9 7.4 106.9 311 152 B R H X S+ 0 0 137 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.936 111.7 44.2 -53.7 -50.3 -9.5 9.0 110.3 312 153 B R H X S+ 0 0 25 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.866 109.4 55.4 -65.4 -40.4 -8.1 12.2 108.8 313 154 B F H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.937 108.5 49.4 -56.3 -45.6 -10.7 12.3 106.1 314 155 B R H X S+ 0 0 106 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.956 113.3 46.0 -61.2 -48.3 -13.4 12.2 108.9 315 156 B L H < S+ 0 0 87 -4,-2.3 3,-0.4 1,-0.2 4,-0.2 0.893 113.3 49.1 -58.3 -44.1 -11.7 15.0 110.8 316 157 B I H < S+ 0 0 2 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.877 121.0 34.9 -66.2 -35.5 -11.2 17.1 107.7 317 158 B T H < S+ 0 0 50 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.399 108.2 63.1 -98.7 -4.5 -14.8 16.8 106.6 318 159 B S S < S+ 0 0 90 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 0.266 80.3 122.8-107.9 11.7 -16.6 16.7 110.0 319 160 B T S S- 0 0 67 -3,-0.3 -3,-0.1 -4,-0.2 -2,-0.0 0.199 82.0-101.8 -54.8 175.6 -15.4 20.2 110.7 320 161 B D 0 0 160 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.727 360.0 360.0 -75.6 -21.6 -17.8 23.2 111.4 321 162 B D 0 0 116 -34,-0.1 -34,-0.0 0, 0.0 0, 0.0 -0.044 360.0 360.0 -70.4 360.0 -17.4 24.5 107.8