==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-JUN-08 2VVO . COMPND 2 MOLECULE: RIBOSE-5-PHOSPHATE ISOMERASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.K.ROOS,S.MARIANO,E.KOWALINSKI,L.SALMON,S.L.MOWBRAY . 780 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 37 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 0 0 0 0 5 1 0 4 0 10 3 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 5 10 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 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 0 5 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 3 A G 0 0 91 0, 0.0 2,-0.4 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 109.7 26.3 -2.5 16.2 2 4 A M - 0 0 53 21,-0.1 27,-3.0 59,-0.0 2,-0.5 -0.828 360.0-127.5-105.1 144.0 28.8 -2.8 13.3 3 5 A R E -a 29 0A 42 -2,-0.4 59,-2.5 57,-0.3 2,-0.5 -0.812 31.2-170.3 -81.5 131.8 32.1 -1.1 12.8 4 6 A V E -ab 30 62A 0 25,-2.2 27,-2.7 -2,-0.5 2,-0.5 -0.976 14.0-151.3-132.9 114.5 32.0 0.6 9.4 5 7 A Y E -ab 31 63A 9 57,-2.6 59,-2.5 -2,-0.5 2,-0.4 -0.750 18.7-157.4 -81.8 126.2 35.1 2.2 7.8 6 8 A L E +ab 32 64A 0 25,-3.3 27,-3.3 -2,-0.5 28,-0.4 -0.926 15.2 176.7-113.3 135.3 34.1 5.0 5.5 7 9 A G E + b 0 65A 0 57,-2.4 59,-2.6 -2,-0.4 2,-0.3 -0.993 10.0 160.8-131.0 137.4 36.1 6.4 2.6 8 10 A A E - b 0 66A 0 26,-2.2 59,-0.2 -2,-0.4 2,-0.1 -0.994 27.7-142.7-151.0 149.4 35.1 9.1 0.1 9 11 A D >> - 0 0 8 57,-1.4 3,-0.9 -2,-0.3 4,-0.9 -0.321 56.6 -76.9 -89.1-173.9 36.5 11.6 -2.4 10 12 A H T 34 S+ 0 0 21 29,-0.4 4,-0.5 1,-0.2 3,-0.4 0.830 131.8 57.0 -51.7 -35.2 35.0 15.1 -2.8 11 13 A A T 34 S+ 0 0 24 1,-0.2 -1,-0.2 2,-0.1 56,-0.2 0.773 117.0 33.4 -72.5 -28.1 32.1 13.7 -4.8 12 14 A G T <> S+ 0 0 0 -3,-0.9 4,-2.6 54,-0.5 -1,-0.2 0.411 93.6 100.2-101.8 0.0 31.0 11.4 -1.9 13 15 A Y H X S+ 0 0 36 -4,-0.9 4,-2.0 -3,-0.4 -2,-0.1 0.892 82.0 42.2 -61.2 -50.1 32.1 13.8 0.8 14 16 A E H > S+ 0 0 127 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.903 116.6 49.8 -68.3 -38.9 28.8 15.3 1.9 15 17 A L H > S+ 0 0 19 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 107.5 54.8 -62.2 -40.4 27.0 11.9 1.7 16 18 A K H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.906 106.9 51.1 -57.0 -44.9 29.8 10.4 3.8 17 19 A Q H X S+ 0 0 60 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.924 111.2 47.4 -58.8 -45.6 29.1 13.0 6.5 18 20 A R H X S+ 0 0 130 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.865 111.9 50.6 -64.2 -38.0 25.4 12.2 6.4 19 21 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.865 106.5 54.4 -69.0 -37.1 26.1 8.4 6.6 20 22 A I H X S+ 0 0 19 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.967 112.1 44.5 -57.6 -51.3 28.4 9.0 9.6 21 23 A E H X S+ 0 0 109 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.917 114.1 50.1 -58.2 -48.0 25.6 10.8 11.4 22 24 A H H X S+ 0 0 29 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.901 111.0 47.6 -59.3 -47.5 23.1 8.1 10.4 23 25 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 3,-0.4 0.900 112.2 50.3 -62.3 -42.6 25.3 5.2 11.6 24 26 A K H ><5S+ 0 0 143 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.958 111.4 48.8 -56.6 -50.1 26.0 7.0 14.9 25 27 A Q H 3<5S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.664 110.6 51.9 -68.3 -17.4 22.2 7.6 15.4 26 28 A T T 3<5S- 0 0 65 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.237 122.9 -96.3-106.5 13.3 21.4 3.9 14.6 27 29 A G T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 1,-0.3 2,-0.1 0.538 83.2 120.2 94.1 8.8 23.8 2.3 17.0 28 30 A H < - 0 0 30 -5,-2.7 -1,-0.3 -27,-0.2 -25,-0.2 -0.415 62.0-119.7-102.8 176.7 26.8 1.6 14.7 29 31 A E E -a 3 0A 78 -27,-3.0 -25,-2.2 -2,-0.1 2,-0.2 -0.811 26.1-165.8-124.5 87.0 30.4 2.7 14.9 30 32 A P E -a 4 0A 20 0, 0.0 2,-0.5 0, 0.0 -25,-0.2 -0.523 1.4-164.0 -72.8 138.0 31.6 4.7 11.8 31 33 A I E -a 5 0A 37 -27,-2.7 -25,-3.3 -2,-0.2 2,-0.6 -0.984 14.2-141.0-123.6 116.6 35.3 5.3 11.4 32 34 A D E +a 6 0A 49 -2,-0.5 -25,-0.2 -27,-0.2 3,-0.1 -0.694 21.9 177.6 -86.5 118.2 36.2 8.0 8.9 33 35 A C - 0 0 13 -27,-3.3 3,-0.2 -2,-0.6 -26,-0.2 0.341 53.4-108.8 -95.8 -0.5 39.2 7.2 6.7 34 36 A G S S+ 0 0 2 -28,-0.4 -26,-2.2 1,-0.4 -1,-0.4 -0.198 83.1 157.2 102.9 167.8 38.9 10.5 4.8 35 37 A A - 0 0 5 -28,-0.3 -1,-0.4 2,-0.2 -2,-0.1 0.410 47.9-174.7 -63.7 138.9 38.5 12.7 2.9 36 38 A L + 0 0 114 -3,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.527 68.4 20.1 -86.4 -7.1 38.2 14.7 6.1 37 39 A R S S- 0 0 158 2,-0.0 2,-0.6 0, 0.0 -2,-0.2 -0.968 94.4 -86.1-146.3 168.8 37.3 17.9 4.2 38 40 A Y + 0 0 126 -2,-0.3 2,-0.4 -3,-0.0 -28,-0.0 -0.648 43.5 169.3 -78.8 118.9 36.0 18.9 0.8 39 41 A D > - 0 0 53 -2,-0.6 3,-2.3 1,-0.1 -29,-0.4 -0.909 23.4-154.0-129.4 104.6 38.8 19.1 -1.8 40 42 A A T 3 S+ 0 0 44 -2,-0.4 -1,-0.1 1,-0.3 -29,-0.1 0.662 91.1 44.0 -55.3 -25.7 37.3 19.5 -5.3 41 43 A D T 3 S+ 0 0 121 -31,-0.1 -1,-0.3 2,-0.1 -32,-0.0 0.312 83.9 130.0-103.1 5.8 40.3 18.0 -7.1 42 44 A D < - 0 0 18 -3,-2.3 2,-0.5 1,-0.1 -32,-0.1 -0.118 55.8-121.3 -72.0 162.9 41.0 15.1 -4.8 43 45 A D >> - 0 0 35 1,-0.1 3,-0.7 -34,-0.1 4,-0.5 -0.920 8.9-147.2-114.9 118.0 41.6 11.5 -6.1 44 46 A Y H >> S+ 0 0 20 -2,-0.5 4,-2.0 1,-0.2 3,-0.6 0.735 81.4 76.9 -56.9 -35.5 39.3 8.6 -4.9 45 47 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.867 91.1 53.2 -51.4 -43.5 41.8 5.7 -5.0 46 48 A A H <> S+ 0 0 12 -3,-0.7 4,-2.2 1,-0.2 -2,-0.1 0.889 112.9 43.9 -57.0 -43.8 43.7 6.5 -1.8 47 49 A F H < S+ 0 0 3 -4,-2.2 3,-0.9 1,-0.2 6,-0.4 0.927 112.5 44.6 -65.3 -49.0 38.1 -3.4 6.7 56 58 A V H 3< S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.5 54.0 -62.2 -33.6 40.1 -6.5 5.6 57 59 A A H 3< S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.607 108.6 52.4 -74.8 -12.8 42.6 -5.9 8.5 58 60 A D S X< S- 0 0 18 -3,-0.9 3,-2.4 -4,-0.7 -1,-0.2 -0.694 86.0-153.3-127.0 72.0 39.6 -5.9 11.0 59 61 A P T 3 S+ 0 0 32 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.238 81.6 33.8 -59.3 132.1 37.7 -9.1 10.3 60 62 A G T 3 S+ 0 0 47 1,-0.5 -57,-0.3 -5,-0.1 2,-0.1 0.162 98.1 104.9 103.6 -16.8 34.0 -8.7 11.2 61 63 A S < - 0 0 4 -3,-2.4 -1,-0.5 -6,-0.4 2,-0.3 -0.422 57.6-144.6 -87.5 171.6 33.9 -5.0 10.2 62 64 A L E -b 4 0A 4 -59,-2.5 -57,-2.6 -2,-0.1 2,-0.3 -0.819 8.2-153.1-129.2 168.2 32.3 -3.5 7.1 63 65 A G E -bc 5 105A 0 41,-2.3 43,-1.4 -2,-0.3 2,-0.4 -0.973 5.2-159.8-143.5 153.5 33.3 -0.6 4.9 64 66 A I E -bc 6 106A 0 -59,-2.5 -57,-2.4 -2,-0.3 2,-0.4 -0.996 6.7-162.6-134.0 131.2 31.6 1.9 2.5 65 67 A V E -bc 7 107A 0 41,-2.7 43,-1.9 -2,-0.4 2,-0.4 -0.960 11.6-167.0-117.7 134.6 33.3 3.8 -0.2 66 68 A L E +bc 8 108A 0 -59,-2.6 -57,-1.4 -2,-0.4 -54,-0.5 -0.963 23.2 126.5-129.6 133.2 31.6 6.9 -1.7 67 69 A G E - c 0 109A 0 41,-1.4 43,-2.9 -2,-0.4 44,-0.3 -0.674 68.0 -64.0-152.1-148.9 32.2 9.0 -4.8 68 70 A G S S+ 0 0 4 41,-0.2 43,-2.2 -2,-0.2 44,-0.4 0.966 124.8 8.7 -76.8 -57.3 30.2 10.3 -7.7 69 71 A S S S- 0 0 13 40,-0.2 40,-0.5 41,-0.1 -1,-0.1 0.598 87.4-132.7-101.8 -17.7 29.3 7.2 -9.6 70 72 A G S > S+ 0 0 0 38,-0.4 4,-2.1 1,-0.1 5,-0.2 0.020 84.7 92.1 85.8 -23.9 30.4 4.4 -7.2 71 73 A N H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 83.4 44.5 -77.6 -46.1 32.2 2.4 -9.9 72 74 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 114.4 54.0 -57.8 -42.5 35.7 3.8 -9.7 73 75 A E H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.895 111.0 42.9 -61.7 -43.9 35.5 3.5 -5.9 74 76 A Q H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 112.1 54.2 -72.7 -36.4 34.5 -0.2 -5.9 75 77 A I H X S+ 0 0 4 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.939 111.1 46.5 -58.6 -47.3 37.1 -1.0 -8.6 76 78 A A H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.919 111.8 50.3 -60.4 -50.5 39.8 0.6 -6.3 77 79 A A H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.888 104.3 59.0 -57.3 -41.6 38.5 -1.2 -3.2 78 80 A N H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.601 91.8 69.2 -66.0 -14.5 38.6 -4.6 -5.0 79 81 A K T << S+ 0 0 10 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.670 78.1 95.6 -76.2 -15.2 42.3 -4.2 -5.7 80 82 A V S X S- 0 0 0 -3,-1.6 3,-2.6 -4,-0.4 292,-0.0 -0.628 92.0-106.6 -76.1 123.2 43.0 -4.7 -2.0 81 83 A P T 3 S+ 0 0 24 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.263 103.1 12.5 -51.2 128.5 43.8 -8.4 -1.3 82 84 A G T 3 S+ 0 0 26 1,-0.3 2,-0.2 -4,-0.1 -4,-0.1 0.251 97.2 127.5 88.3 -11.7 41.0 -10.1 0.4 83 85 A A < - 0 0 0 -3,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.560 38.8-169.3 -83.6 141.9 38.5 -7.3 -0.2 84 86 A R - 0 0 41 -2,-0.2 21,-1.8 18,-0.1 20,-0.9 -0.953 11.6-177.9-127.6 106.1 35.1 -7.9 -1.8 85 87 A C E -d 105 0A 0 -2,-0.4 21,-0.2 -11,-0.2 2,-0.1 -0.928 5.6-165.5-114.2 110.9 33.4 -4.7 -2.8 86 88 A A E -d 106 0A 0 19,-2.2 21,-2.6 -2,-0.6 2,-0.7 -0.467 24.9-121.2 -82.6 155.4 29.9 -4.7 -4.3 87 89 A L E -d 107 0A 1 19,-0.2 2,-0.7 -2,-0.1 21,-0.2 -0.920 28.6-156.1 -93.5 114.9 28.3 -1.7 -6.1 88 90 A A + 0 0 1 19,-2.5 21,-0.4 -2,-0.7 3,-0.1 -0.828 31.1 154.7 -94.8 114.0 25.1 -1.1 -4.1 89 91 A W + 0 0 47 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.312 67.4 17.8-116.2 3.4 22.6 0.7 -6.2 90 92 A S S > S- 0 0 26 1,-0.1 4,-2.1 31,-0.1 5,-0.2 -0.973 82.7-100.4-160.4 164.9 19.4 -0.5 -4.4 91 93 A V H > S+ 0 0 74 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.917 122.4 52.4 -57.7 -41.9 18.3 -2.0 -1.1 92 94 A Q H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.895 109.4 46.9 -62.8 -44.8 18.1 -5.4 -2.9 93 95 A T H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 111.2 51.8 -70.3 -32.5 21.7 -5.2 -4.2 94 96 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.929 113.4 45.7 -63.7 -45.1 23.1 -4.1 -0.8 95 97 A A H X S+ 0 0 20 -4,-2.3 4,-3.0 1,-0.2 3,-0.3 0.945 113.0 48.3 -63.0 -49.0 21.3 -7.1 0.8 96 98 A L H X>S+ 0 0 29 -4,-2.7 4,-2.8 1,-0.2 5,-1.0 0.848 103.5 62.4 -61.4 -35.1 22.5 -9.5 -1.8 97 99 A A H X5S+ 0 0 1 -4,-2.0 6,-2.5 3,-0.2 4,-0.8 0.926 114.4 34.9 -56.5 -43.1 26.1 -8.2 -1.5 98 100 A R H X5S+ 0 0 26 -4,-1.4 4,-1.1 -3,-0.3 33,-0.3 0.954 121.8 45.0 -72.4 -51.2 26.0 -9.4 2.1 99 101 A E H <5S+ 0 0 79 -4,-3.0 32,-1.3 31,-0.2 34,-0.3 0.864 130.0 18.8 -67.7 -40.0 23.8 -12.5 1.7 100 102 A H H <5S+ 0 0 41 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.779 134.2 31.5-101.5 -38.4 25.5 -14.0 -1.4 101 103 A N H <> -c 67 0A 1 -40,-0.5 3,-2.1 -21,-0.4 4,-0.5 -0.783 12.9-159.8 -85.8 104.9 27.5 6.7 -6.2 110 112 A G T 34 S+ 0 0 23 -43,-2.9 3,-0.4 -2,-1.0 -42,-0.2 0.757 91.1 54.1 -55.0 -27.8 26.5 9.9 -4.3 111 113 A R T 34 S+ 0 0 163 -43,-2.2 -1,-0.3 -44,-0.3 -42,-0.1 0.518 102.8 59.1 -83.7 -6.6 25.3 11.4 -7.6 112 114 A M T <4 S+ 0 0 31 -3,-2.1 2,-0.3 -44,-0.4 -1,-0.2 0.526 105.7 40.0-100.4 -10.6 23.0 8.5 -8.4 113 115 A H S < S- 0 0 31 -4,-0.5 2,-0.1 -3,-0.4 -1,-0.1 -0.965 75.3-113.7-138.2 154.4 20.7 8.6 -5.4 114 116 A T > - 0 0 75 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.428 44.9-104.2 -70.7 163.2 18.9 10.9 -3.0 115 117 A V H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 122.3 52.2 -56.7 -44.2 20.1 10.9 0.6 116 118 A A H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 109.9 47.9 -61.7 -42.2 17.1 8.8 1.7 117 119 A E H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 112.6 49.8 -61.6 -47.2 17.7 6.2 -1.0 118 120 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 110.6 49.4 -60.3 -41.0 21.4 6.1 0.0 119 121 A L H X S+ 0 0 33 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.850 108.2 53.0 -70.1 -35.7 20.6 5.7 3.7 120 122 A A H X S+ 0 0 37 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.891 109.3 50.5 -60.1 -42.5 18.1 2.9 2.9 121 123 A I H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.949 109.9 49.7 -58.8 -49.0 21.0 1.2 1.0 122 124 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.900 109.2 52.9 -53.6 -47.8 23.3 1.6 4.0 123 125 A D H X S+ 0 0 62 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.911 109.7 46.8 -56.1 -47.7 20.6 0.1 6.3 124 126 A A H X S+ 0 0 11 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.934 113.5 50.9 -59.4 -46.3 20.2 -3.0 4.2 125 127 A F H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.916 113.2 41.6 -60.4 -46.1 24.0 -3.3 4.0 126 128 A V H < S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.679 121.5 40.4 -84.3 -10.7 24.7 -3.1 7.8 127 129 A T H < S+ 0 0 96 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.588 88.8 96.0-111.1 -13.3 21.8 -5.3 8.9 128 130 A T < - 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0 0 0 -3,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.590 38.3-171.8 -86.5 141.1 49.1 -6.6 29.6 555 86 D R - 0 0 40 -2,-0.3 21,-1.9 18,-0.1 20,-1.0 -0.955 11.5-178.3-127.7 110.2 52.4 -8.0 28.6 556 87 D C E -p 576 0D 0 -2,-0.4 21,-0.2 -11,-0.2 2,-0.1 -0.944 6.3-164.3-117.3 112.2 52.2 -11.7 28.0 557 88 D A E -p 577 0D 0 19,-2.1 21,-3.0 -2,-0.5 2,-0.7 -0.463 24.7-120.2 -84.7 155.3 55.3 -13.7 27.0 558 89 D L E -p 578 0D 2 19,-0.2 2,-0.7 -2,-0.1 21,-0.2 -0.929 28.7-154.9 -94.3 115.3 55.3 -17.2 25.5 559 90 D A + 0 0 0 19,-2.6 21,-0.4 -2,-0.7 3,-0.1 -0.842 32.6 152.8 -94.3 112.4 57.2 -19.4 28.1 560 91 D W + 0 0 46 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.280 68.2 19.5-118.1 6.9 58.7 -22.4 26.3 561 92 D S S > S- 0 0 26 1,-0.1 4,-2.3 31,-0.1 -1,-0.2 -0.969 82.6-102.8-165.6 159.1 61.7 -23.0 28.7 562 93 D V H > S+ 0 0 78 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.911 121.8 53.4 -57.4 -40.2 62.8 -22.1 32.2 563 94 D Q H > S+ 0 0 115 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.914 108.9 46.4 -63.0 -46.2 65.1 -19.4 30.7 564 95 D T H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 111.1 52.7 -69.9 -33.3 62.3 -17.7 28.7 565 96 D A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.950 113.4 44.5 -60.1 -45.8 60.0 -17.7 31.7 566 97 D A H X S+ 0 0 21 -4,-2.2 4,-2.7 1,-0.2 3,-0.3 0.923 112.8 49.9 -66.1 -44.2 62.7 -16.0 33.8 567 98 D L H X>S+ 0 0 30 -4,-2.8 4,-2.8 1,-0.2 5,-1.1 0.843 102.5 62.7 -63.9 -35.1 63.6 -13.5 31.0 568 99 D A H <5S+ 0 0 0 -4,-1.9 6,-2.5 -5,-0.2 4,-0.4 0.890 113.7 34.5 -56.5 -43.5 59.9 -12.6 30.7 569 100 D R H X5S+ 0 0 29 -4,-1.3 4,-1.1 -3,-0.3 33,-0.3 0.945 121.4 45.7 -71.9 -54.3 59.9 -11.3 34.3 570 101 D E H <5S+ 0 0 80 -4,-2.7 32,-1.3 31,-0.2 34,-0.4 0.865 130.1 18.5 -62.5 -40.6 63.5 -9.9 34.4 571 102 D H T <5S+ 0 0 35 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.842 134.8 30.7-100.8 -45.0 63.4 -8.1 31.1 572 103 D N T 4> -o 538 0D 1 -40,-0.5 3,-1.7 -2,-0.4 4,-0.5 -0.793 10.7-162.0 -85.3 106.2 51.5 -24.7 25.2 581 112 D G G >4 S+ 0 0 20 -43,-3.1 3,-0.6 -2,-0.9 -42,-0.2 0.805 91.1 54.9 -56.5 -32.8 50.2 -27.8 27.0 582 113 D R G 34 S+ 0 0 162 -43,-2.1 -1,-0.3 -44,-0.4 -42,-0.1 0.596 104.2 57.2 -76.8 -9.4 50.9 -29.9 23.9 583 114 D M G <4 S+ 0 0 30 -3,-1.7 2,-0.3 -44,-0.5 -1,-0.2 0.574 105.3 41.9 -98.2 -12.4 54.5 -28.7 23.8 584 115 D H S << S- 0 0 31 -3,-0.6 2,-0.1 -4,-0.5 -1,-0.0 -0.940 74.9-112.0-138.3 153.6 55.8 -29.8 27.3 585 116 D T > - 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0 0 6 -3,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.539 40.0-168.4 -86.7 142.4 74.1 12.7 7.4 712 86 E R - 0 0 53 -2,-0.2 21,-1.9 18,-0.1 20,-0.9 -0.951 11.4-177.3-127.8 110.5 72.6 15.8 6.0 713 87 E C E -t 733 0E 9 -2,-0.4 21,-0.2 -11,-0.2 2,-0.2 -0.941 5.8-164.4-116.3 110.9 75.2 18.6 5.7 714 88 E A E -t 734 0E 18 19,-2.1 21,-2.9 -2,-0.6 2,-0.7 -0.569 24.9-120.1 -82.9 150.8 74.0 22.1 4.4 715 89 E L E -t 735 0E 48 19,-0.2 2,-0.8 -2,-0.2 21,-0.2 -0.889 28.9-155.0 -88.0 117.5 76.5 24.7 3.2 716 90 E A + 0 0 0 19,-2.7 21,-0.3 -2,-0.7 3,-0.1 -0.878 32.6 153.6-101.2 107.5 75.8 27.7 5.6 717 91 E W + 0 0 164 -2,-0.8 2,-0.3 19,-0.1 -1,-0.1 0.358 67.5 18.1-110.3 0.9 76.8 30.9 3.9 718 92 E S S > S- 0 0 25 1,-0.1 4,-2.1 31,-0.1 5,-0.2 -0.957 81.6-101.1-157.6 169.8 74.4 33.2 5.8 719 93 E V H > S+ 0 0 77 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.923 122.9 52.2 -64.0 -41.1 72.2 33.4 8.9 720 94 E Q H > S+ 0 0 133 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.923 110.2 46.1 -61.1 -46.7 69.2 32.6 6.8 721 95 E T H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 111.5 51.7 -70.7 -33.6 70.8 29.5 5.2 722 96 E A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.931 113.4 45.8 -61.7 -46.6 72.0 28.2 8.6 723 97 E A H X S+ 0 0 21 -4,-2.3 4,-2.9 1,-0.2 3,-0.3 0.937 113.7 47.5 -62.6 -48.9 68.4 28.6 10.0 724 98 E L H X>S+ 0 0 57 -4,-2.8 4,-2.8 1,-0.2 5,-1.1 0.841 102.8 63.8 -62.6 -37.3 66.7 27.0 6.9 725 99 E A H X5S+ 0 0 2 -4,-2.0 6,-2.5 -5,-0.2 4,-0.7 0.923 114.7 32.9 -50.6 -46.2 69.2 24.1 7.0 726 100 E R H X5S+ 0 0 33 -4,-1.3 4,-1.2 -3,-0.3 33,-0.3 0.955 123.2 45.0 -72.9 -53.5 67.7 23.2 10.4 727 101 E E H <5S+ 0 0 81 -4,-2.9 32,-1.3 31,-0.2 34,-0.3 0.896 130.2 19.4 -64.0 -42.8 64.1 24.3 9.8 728 102 E H H <5S+ 0 0 60 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.781 135.3 30.2 -96.5 -39.1 63.6 22.7 6.4 729 103 E N H < -s 695 0E 1 -40,-0.5 3,-2.1 -2,-0.4 4,-0.4 -0.755 12.9-161.9 -82.6 102.0 83.9 28.3 4.3 738 112 E G T 3 S+ 0 0 23 -43,-3.0 3,-0.5 -2,-0.9 -42,-0.2 0.741 89.5 55.9 -57.1 -26.8 86.4 30.1 6.6 739 113 E R T 3 S+ 0 0 177 -43,-2.1 -1,-0.3 -44,-0.3 -42,-0.1 0.450 102.7 59.2 -82.1 -1.9 87.9 32.1 3.7 740 114 E M S < S+ 0 0 115 -3,-2.1 2,-0.3 -44,-0.3 -1,-0.2 0.554 105.2 38.4-104.6 -11.9 84.4 33.4 2.9 741 115 E H S S- 0 0 38 -3,-0.5 -1,-0.1 -4,-0.4 2,-0.0 -0.988 74.6-111.3-143.4 148.9 83.3 35.2 6.1 742 116 E T > - 0 0 78 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.330 44.2-106.0 -64.1 158.5 84.6 37.4 9.0 743 117 E V H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 123.1 54.9 -55.8 -34.6 84.8 35.7 12.4 744 118 E A H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 108.6 45.6 -66.3 -46.3 81.7 37.8 13.3 745 119 E E H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.885 113.7 50.9 -62.0 -41.9 79.6 36.6 10.3 746 120 E A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.914 109.0 49.7 -62.3 -45.2 80.7 33.0 11.1 747 121 E L H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.853 110.2 50.8 -67.3 -33.3 79.7 33.1 14.7 748 122 E A H X S+ 0 0 34 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.850 109.3 51.8 -64.3 -40.0 76.3 34.5 13.7 749 123 E I H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.952 110.6 48.0 -62.2 -47.0 75.9 31.6 11.3 750 124 E V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.900 109.6 53.1 -59.4 -45.3 76.8 29.2 14.1 751 125 E D H X S+ 0 0 63 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.907 109.7 47.8 -54.9 -49.5 74.3 30.9 16.5 752 126 E A H X S+ 0 0 11 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.889 114.2 49.1 -59.7 -41.7 71.5 30.5 13.8 753 127 E F H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.917 113.0 43.1 -64.9 -45.6 72.5 26.9 13.4 754 128 E V H < S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.612 122.0 38.4 -85.6 -7.3 72.6 25.8 17.0 755 129 E T H < S+ 0 0 97 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.530 88.5 97.0-117.5 -8.3 69.4 27.6 18.1 756 130 E T < - 0 0 24 -4,-1.3 2,-0.2 -5,-0.2 3,-0.0 -0.715 68.5-135.9 -85.5 124.7 67.0 27.2 15.1 757 131 E P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -27,-0.1 -0.503 18.1-107.9 -79.3 149.2 64.5 24.2 15.7 758 132 E W - 0 0 35 -2,-0.2 -31,-0.2 1,-0.1 -30,-0.1 -0.618 27.2-142.6 -64.8 129.9 63.6 21.6 13.1 759 133 E S - 0 0 53 -32,-1.3 -1,-0.1 -2,-0.3 3,-0.1 0.817 10.4-147.5 -69.1 -33.0 60.0 22.4 12.0 760 134 E K + 0 0 157 -33,-0.3 -1,-0.1 1,-0.2 -32,-0.1 0.605 35.3 167.9 67.4 15.6 58.9 18.8 11.7 761 135 E A > - 0 0 29 -34,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.335 43.0-120.5 -63.1 142.1 56.6 19.9 8.9 762 136 E Q H > S+ 0 0 158 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.830 107.9 48.6 -52.5 -45.6 55.1 17.0 6.9 763 137 E R H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 113.2 47.5 -70.0 -35.2 56.4 17.9 3.4 764 138 E H H > S+ 0 0 15 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.923 112.8 49.2 -69.1 -46.9 60.0 18.4 4.7 765 139 E Q H X S+ 0 0 68 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.902 110.1 52.6 -56.2 -43.4 59.8 15.1 6.6 766 140 E R H X S+ 0 0 115 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.913 109.8 47.7 -59.5 -44.1 58.5 13.4 3.4 767 141 E R H X S+ 0 0 132 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.911 111.6 49.2 -67.9 -42.8 61.4 14.7 1.4 768 142 E I H X S+ 0 0 18 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.876 112.2 50.6 -58.6 -40.9 64.0 13.7 4.0 769 143 E D H X S+ 0 0 85 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.871 107.4 52.0 -65.1 -42.2 62.4 10.2 4.0 770 144 E I H X S+ 0 0 82 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 112.9 46.1 -59.8 -45.9 62.5 9.9 0.3 771 145 E L H X S+ 0 0 98 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.921 110.6 51.8 -63.7 -45.2 66.2 10.7 0.4 772 146 E A H X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.912 109.2 51.7 -57.3 -42.7 66.8 8.3 3.3 773 147 E E H X S+ 0 0 85 -4,-2.4 4,-2.0 1,-0.2 6,-0.3 0.910 110.0 48.5 -62.4 -42.4 65.1 5.5 1.3 774 148 E Y H X S+ 0 0 97 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.911 109.8 52.5 -64.4 -39.7 67.3 6.2 -1.7 775 149 E E H < S+ 0 0 68 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.877 111.4 48.3 -61.9 -35.2 70.4 6.2 0.6 776 150 E R H < S+ 0 0 98 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.867 131.6 13.7 -70.1 -39.0 69.2 2.8 1.8 777 151 E T H < S- 0 0 38 -4,-2.0 -2,-0.2 2,-0.1 -3,-0.2 0.576 81.4-136.6-117.1 -18.0 68.6 1.2 -1.6 778 152 E H < + 0 0 135 -4,-3.3 2,-0.7 -5,-0.3 -4,-0.1 0.730 57.7 140.0 51.9 26.2 70.2 3.4 -4.3 779 153 E E - 0 0 141 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.895 55.8-128.0 -94.8 111.0 67.0 2.9 -6.3 780 154 E A - 0 0 81 -2,-0.7 3,-0.1 -3,-0.1 0, 0.0 -0.382 23.7-116.4 -61.5 128.7 66.3 6.3 -7.9 781 155 E P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.392 36.9-100.2 -63.5 150.6 62.8 7.4 -7.2 782 156 E P - 0 0 121 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.407 25.9-135.5 -73.5 144.7 60.7 7.9 -10.3 783 157 E V 0 0 133 -2,-0.1 -3,-0.0 1,-0.1 0, 0.0 -0.903 360.0 360.0 -99.0 131.3 60.1 11.3 -11.8 784 158 E P 0 0 181 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.057 360.0 360.0 -43.3 360.0 56.4 11.9 -12.7