==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 31-AUG-10 3OP2 . COMPND 2 MOLECULE: PUTATIVE MANDELATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR V.N.MALASHKEVICH,Y.PATSKOVSKY,U.RAMAGOPAL,R.TORO,J.M.SAUDER, . 743 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 39 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 6 0 2 0 0 5 2 1 0 5 3 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 7 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 2 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 2 A S 0 0 133 0, 0.0 2,-0.2 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 155.1 7.1 54.8 -4.0 2 3 A L - 0 0 23 40,-0.1 2,-0.4 41,-0.0 76,-0.2 -0.552 360.0-150.2 -90.7 161.5 7.1 51.6 -6.0 3 4 A K - 0 0 127 -2,-0.2 39,-2.4 73,-0.2 2,-0.3 -0.998 21.3-118.3-130.4 135.6 8.4 48.2 -4.9 4 5 A I E +A 41 0A 2 71,-2.8 70,-3.7 68,-0.4 37,-0.3 -0.563 32.6 172.5 -70.8 133.0 9.9 45.6 -7.2 5 6 A T E + 0 0 62 35,-2.1 2,-0.3 1,-0.3 36,-0.2 0.658 61.8 18.9-110.4 -28.7 7.8 42.4 -7.3 6 7 A E E -A 40 0A 82 34,-1.3 34,-2.6 66,-0.1 2,-0.4 -1.000 46.2-166.7-149.4 144.3 9.5 40.4 -10.1 7 8 A V E -A 39 0A 13 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.939 26.0-178.6-130.4 107.4 12.7 40.2 -12.1 8 9 A K E -A 38 0A 57 30,-3.4 30,-2.8 -2,-0.4 2,-0.4 -0.767 21.5-157.6-109.3 154.8 12.3 37.9 -15.1 9 10 A A E -A 37 0A 0 -2,-0.3 2,-0.8 28,-0.2 28,-0.2 -0.891 11.2-159.5-131.9 98.0 14.7 36.9 -17.8 10 11 A H E -A 36 0A 37 26,-2.6 26,-2.7 -2,-0.4 2,-0.5 -0.712 11.5-146.4 -78.7 110.9 13.0 35.8 -21.0 11 12 A A E -A 35 0A 14 -2,-0.8 359,-2.4 24,-0.2 2,-0.4 -0.696 22.3-170.7 -80.5 125.6 15.4 33.6 -23.0 12 13 A L E +AB 34 369A 2 22,-2.9 22,-1.9 -2,-0.5 2,-0.3 -0.945 12.6 179.5-125.5 143.5 14.7 34.2 -26.7 13 14 A S E -A 33 0A 8 355,-2.2 20,-0.2 -2,-0.4 360,-0.0 -0.990 5.0-172.9-147.3 129.0 16.0 32.4 -29.9 14 15 A T E -A 32 0A 1 18,-2.7 18,-2.8 -2,-0.3 318,-0.1 -0.992 30.0-114.4-126.8 132.3 15.3 33.0 -33.6 15 16 A P E -A 31 0A 87 0, 0.0 16,-0.3 0, 0.0 15,-0.1 -0.344 21.0-130.1 -69.5 138.9 16.5 30.7 -36.4 16 17 A I - 0 0 27 14,-3.0 4,-0.1 1,-0.2 314,-0.0 -0.790 15.2-161.8 -84.9 119.5 19.1 32.0 -38.9 17 18 A P + 0 0 93 0, 0.0 -1,-0.2 0, 0.0 14,-0.0 0.925 66.6 76.3 -68.6 -44.2 17.8 31.3 -42.5 18 19 A E S S- 0 0 74 1,-0.1 2,-0.9 2,-0.0 -2,-0.1 -0.305 85.8-118.6 -72.1 151.2 21.1 31.7 -44.3 19 20 A R + 0 0 226 9,-0.1 2,-0.5 -2,-0.0 -1,-0.1 -0.811 45.8 165.2 -90.4 104.9 23.9 29.0 -44.1 20 21 A X - 0 0 92 -2,-0.9 9,-2.9 9,-0.4 2,-0.1 -0.975 27.6-145.8-130.2 121.2 26.9 30.7 -42.5 21 22 A R B -D 28 0B 167 -2,-0.5 7,-0.3 7,-0.2 5,-0.1 -0.449 34.8 -99.9 -74.3 152.7 29.9 29.0 -41.0 22 23 A V - 0 0 35 5,-3.0 3,-0.2 3,-0.2 5,-0.2 -0.377 41.6 -97.7 -68.5 156.2 31.6 30.6 -38.0 23 24 A E S S- 0 0 76 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.822 105.4 -11.6 -47.3 -42.2 34.7 32.8 -38.6 24 25 A S S S+ 0 0 108 1,-0.1 -1,-0.2 3,-0.0 0, 0.0 -0.870 109.7 70.5-158.7 134.1 36.8 29.7 -37.7 25 26 A G S S- 0 0 58 -2,-0.3 -3,-0.2 -3,-0.2 -1,-0.1 0.669 90.4 -96.4 121.8 63.2 35.8 26.5 -36.1 26 27 A A S S+ 0 0 81 -3,-0.1 2,-0.3 -5,-0.1 -3,-0.1 0.407 85.2 107.0 1.5 75.7 33.8 24.1 -38.3 27 28 A G - 0 0 16 -5,-0.2 -5,-3.0 2,-0.0 2,-0.3 -0.951 62.3-116.9-164.9 152.9 30.3 25.1 -37.1 28 29 A L B -D 21 0B 64 348,-0.4 2,-0.9 -2,-0.3 -7,-0.2 -0.669 24.5-116.4 -96.4 149.9 27.3 27.1 -38.3 29 30 A K + 0 0 69 -9,-2.9 -9,-0.4 -2,-0.3 347,-0.2 -0.770 44.5 171.9 -79.5 107.3 25.6 30.2 -36.9 30 31 A L + 0 0 74 345,-2.5 -14,-3.0 -2,-0.9 2,-0.3 0.897 47.8 8.8 -92.2 -47.1 22.3 28.7 -36.0 31 32 A N E -A 15 0A 26 344,-1.1 2,-0.5 -16,-0.3 -1,-0.2 -0.975 57.5-127.8-140.2 146.8 20.2 31.2 -34.0 32 33 A R E -A 14 0A 56 -18,-2.8 -18,-2.7 -2,-0.3 2,-0.3 -0.863 41.9-171.1 -90.6 132.8 20.2 34.8 -32.9 33 34 A Q E +A 13 0A 26 -2,-0.5 2,-0.3 -20,-0.2 -20,-0.2 -0.919 17.2 158.5-132.9 150.8 19.7 34.8 -29.2 34 35 A X E -A 12 0A 2 -22,-1.9 -22,-2.9 -2,-0.3 2,-0.5 -0.978 34.1-123.5-159.2 158.5 19.0 37.3 -26.4 35 36 A I E -A 11 0A 0 17,-0.4 2,-0.8 -2,-0.3 17,-0.2 -0.952 19.4-155.0-100.3 129.0 17.7 37.7 -22.8 36 37 A L E -A 10 0A 0 -26,-2.7 -26,-2.6 -2,-0.5 2,-0.2 -0.913 15.2-151.6-100.0 105.4 14.8 40.1 -22.5 37 38 A V E -AC 9 49A 0 12,-2.3 12,-1.7 -2,-0.8 2,-0.4 -0.565 11.0-167.1 -73.1 138.3 15.0 41.2 -18.9 38 39 A E E -AC 8 48A 11 -30,-2.8 -30,-3.4 -2,-0.2 2,-0.5 -0.962 5.9-169.5-131.1 117.4 11.6 42.3 -17.4 39 40 A V E -AC 7 47A 0 8,-2.8 8,-2.1 -2,-0.4 2,-0.3 -0.919 12.2-167.2-104.2 123.3 11.4 44.1 -14.1 40 41 A R E -A 6 0A 64 -34,-2.6 -35,-2.1 -2,-0.5 -34,-1.3 -0.777 2.9-155.6-111.4 156.0 7.9 44.4 -12.6 41 42 A T E > -A 4 0A 8 -2,-0.3 3,-1.9 -37,-0.3 -37,-0.2 -0.863 32.2-108.0-127.7 161.1 6.5 46.6 -9.8 42 43 A D T 3 S+ 0 0 82 -39,-2.4 -38,-0.1 -2,-0.3 -40,-0.1 0.813 119.8 48.2 -56.6 -34.0 3.6 46.5 -7.3 43 44 A E T 3 S- 0 0 138 -40,-0.2 -1,-0.3 2,-0.1 -41,-0.0 0.263 121.6-104.1 -94.1 13.4 1.8 49.4 -9.2 44 45 A G S < S+ 0 0 58 -3,-1.9 2,-0.6 1,-0.2 -2,-0.1 0.722 70.3 144.6 77.5 21.2 2.3 47.8 -12.6 45 46 A V - 0 0 37 2,-0.0 2,-0.4 71,-0.0 -1,-0.2 -0.859 31.5-164.5 -92.5 122.8 5.2 49.9 -14.0 46 47 A T - 0 0 29 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.853 14.8-170.3-116.7 141.1 7.4 47.7 -16.1 47 48 A G E -C 39 0A 0 -8,-2.1 -8,-2.8 -2,-0.4 2,-0.3 -0.959 8.1-157.0-124.9 146.9 11.0 48.1 -17.4 48 49 A V E +C 38 0A 9 -2,-0.3 2,-0.3 -10,-0.2 63,-0.2 -0.914 14.5 168.7-123.6 151.9 12.9 45.9 -19.9 49 50 A G E -C 37 0A 0 -12,-1.7 -12,-2.3 -2,-0.3 55,-0.2 -0.897 22.6-140.0-148.0 174.5 16.5 45.4 -20.6 50 51 A S - 0 0 0 -2,-0.3 -14,-0.1 -14,-0.2 3,-0.1 -0.966 6.3-156.5-144.4 129.1 19.0 43.2 -22.5 51 52 A P - 0 0 0 0, 0.0 52,-0.1 0, 0.0 53,-0.1 0.023 45.8-129.8 -89.7 25.8 22.4 41.9 -21.2 52 53 A S + 0 0 2 -17,-0.2 -17,-0.4 51,-0.1 3,-0.2 -0.137 41.5 111.3 64.4-155.3 23.7 41.5 -24.8 53 54 A G S S- 0 0 3 248,-0.3 3,-0.0 1,-0.2 -19,-0.0 -0.933 78.4-118.5 160.5 178.2 25.3 38.4 -26.2 54 55 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.254 76.9 127.5 -75.4 123.1 26.3 35.8 -27.4 55 56 A Y S S- 0 0 32 -3,-0.2 2,-0.3 -2,-0.0 409,-0.1 -0.937 72.6 -77.2-135.9 160.7 26.4 34.3 -23.9 56 57 A D > - 0 0 35 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.444 38.6-147.3 -62.1 119.6 24.9 31.1 -22.6 57 58 A L H > S+ 0 0 4 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.813 95.7 51.0 -62.7 -36.0 21.1 31.8 -22.1 58 59 A A H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 108.3 52.4 -67.7 -44.0 20.8 29.5 -19.1 59 60 A V H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.939 114.3 43.4 -55.4 -48.2 23.7 31.1 -17.4 60 61 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.903 112.5 50.6 -68.3 -44.2 22.2 34.5 -17.9 61 62 A K H X S+ 0 0 70 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.910 113.1 47.1 -59.1 -44.2 18.6 33.5 -16.9 62 63 A R H X>S+ 0 0 62 -4,-2.5 4,-2.7 2,-0.2 5,-0.6 0.942 114.2 46.5 -63.2 -49.8 19.9 31.9 -13.7 63 64 A A H X>S+ 0 0 6 -4,-2.4 5,-2.5 -5,-0.2 4,-1.0 0.908 118.1 42.2 -61.6 -43.3 22.1 34.9 -12.8 64 65 A I H <>S+ 0 0 0 -4,-2.8 5,-2.1 3,-0.2 -2,-0.2 0.965 125.9 30.6 -68.8 -51.5 19.3 37.5 -13.5 65 66 A E H <5S+ 0 0 52 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.828 132.1 28.2 -78.6 -33.8 16.4 35.6 -11.9 66 67 A D H <5S+ 0 0 76 -4,-2.7 -3,-0.2 -5,-0.4 -1,-0.1 0.579 129.0 29.7-113.4 -11.4 18.0 33.7 -9.1 67 68 A V T <>> - 0 0 40 -73,-0.2 3,-1.0 1,-0.1 -73,-0.2 -0.718 25.6-153.4 -74.3 119.4 12.3 50.7 -4.5 77 78 A P T 3 S+ 0 0 4 0, 0.0 3,-0.2 0, 0.0 36,-0.1 0.669 84.6 76.2 -70.8 -21.0 13.4 50.7 -8.2 78 79 A A T 3 S+ 0 0 45 1,-0.2 2,-1.4 -76,-0.2 3,-0.3 0.756 80.7 71.8 -62.4 -28.2 13.9 54.5 -8.2 79 80 A N <> + 0 0 84 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 -0.446 56.0 154.8 -88.9 63.4 17.2 54.2 -6.3 80 81 A I H > S+ 0 0 4 -2,-1.4 4,-3.0 1,-0.2 5,-0.2 0.895 71.2 54.3 -59.4 -41.4 19.2 52.7 -9.2 81 82 A N H > S+ 0 0 108 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.917 110.9 44.7 -60.1 -45.7 22.4 54.0 -7.8 82 83 A Y H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 115.4 47.9 -62.9 -45.0 21.8 52.3 -4.4 83 84 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.901 105.3 57.6 -66.2 -41.6 20.7 49.0 -6.1 84 85 A W H X S+ 0 0 21 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.912 114.6 39.4 -53.7 -43.9 23.6 48.9 -8.5 85 86 A H H X S+ 0 0 86 -4,-1.4 4,-1.9 -5,-0.2 5,-0.3 0.782 109.8 58.4 -80.5 -29.0 25.9 48.9 -5.5 86 87 A K H X S+ 0 0 65 -4,-2.1 4,-0.9 2,-0.2 5,-0.2 0.914 117.0 36.3 -60.4 -44.0 23.8 46.6 -3.3 87 88 A V H X S+ 0 0 7 -4,-2.7 4,-2.4 3,-0.2 6,-0.4 0.959 118.5 48.0 -71.7 -54.0 24.1 44.0 -6.0 88 89 A F H < S+ 0 0 31 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.833 124.2 30.5 -62.1 -38.2 27.7 44.6 -7.1 89 90 A H H < S+ 0 0 112 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.634 121.6 51.1 -98.6 -16.2 29.1 44.7 -3.6 90 91 A G H < S- 0 0 59 -4,-0.9 -3,-0.2 -5,-0.3 -2,-0.2 0.939 127.3 -23.8 -81.4 -52.7 26.7 42.3 -2.0 91 92 A E S >< S+ 0 0 77 -4,-2.4 3,-1.0 -5,-0.2 -3,-0.1 0.667 116.4 59.7-128.1 -82.9 26.8 39.3 -4.4 92 93 A V T 3 S+ 0 0 25 -5,-0.4 -4,-0.1 1,-0.3 6,-0.1 0.460 98.0 74.1 -53.6 2.4 27.7 39.0 -8.1 93 94 A S T 3 0 0 51 -6,-0.4 -1,-0.3 -5,-0.1 -4,-0.1 0.980 360.0 360.0 -71.6 -68.6 31.1 40.3 -7.1 94 95 A R < 0 0 102 -3,-1.0 -2,-0.2 -4,-0.1 -1,-0.1 -0.115 360.0 360.0-116.2 360.0 32.5 37.1 -5.4 95 ! 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 96 101 A S > 0 0 35 0, 0.0 4,-1.3 0, 0.0 369,-0.0 0.000 360.0 360.0 360.0-166.5 32.0 39.1 -16.8 97 102 A V H > + 0 0 26 2,-0.2 4,-1.9 3,-0.2 -34,-0.0 0.584 360.0 57.7 -82.0 -15.0 28.7 37.3 -17.2 98 103 A G H > S+ 0 0 8 2,-0.2 4,-2.0 3,-0.1 -1,-0.1 0.899 109.4 41.2 -75.6 -47.9 28.0 38.7 -13.7 99 104 A I H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 178,-0.3 0.848 114.1 55.1 -63.7 -38.7 28.5 42.2 -14.9 100 105 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.953 107.5 48.5 -59.6 -49.3 26.6 41.2 -18.1 101 106 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.909 112.6 48.8 -56.4 -43.7 23.7 40.0 -16.0 102 107 A X H X S+ 0 0 7 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.874 106.0 58.4 -62.4 -39.3 23.8 43.3 -14.0 103 108 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 176,-0.3 0.906 105.2 47.6 -60.7 -46.4 23.8 45.4 -17.2 104 109 A G H X S+ 0 0 0 -4,-1.9 4,-1.6 170,-0.2 -1,-0.2 0.891 114.9 47.3 -61.3 -40.5 20.6 43.9 -18.5 105 110 A V H X S+ 0 0 6 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.909 110.5 51.1 -67.8 -43.1 18.9 44.6 -15.1 106 111 A D H X S+ 0 0 4 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.901 108.2 52.2 -62.0 -43.3 20.3 48.1 -14.9 107 112 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.897 108.6 51.6 -59.2 -40.1 19.0 49.0 -18.4 108 113 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.844 107.8 52.5 -66.3 -33.4 15.5 47.7 -17.3 109 114 A L H X S+ 0 0 7 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.895 110.5 46.5 -69.6 -39.3 15.7 49.9 -14.2 110 115 A W H X S+ 0 0 29 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.885 113.6 49.0 -66.5 -41.9 16.4 53.0 -16.3 111 116 A D H X S+ 0 0 6 -4,-2.4 4,-2.2 -63,-0.2 -2,-0.2 0.926 111.7 49.7 -60.3 -46.0 13.6 52.0 -18.7 112 117 A L H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.933 111.3 49.8 -56.3 -46.9 11.3 51.5 -15.7 113 118 A K H X S+ 0 0 42 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.921 111.0 47.0 -59.1 -50.5 12.4 55.0 -14.4 114 119 A G H <>S+ 0 0 0 -4,-2.5 5,-3.7 1,-0.2 -1,-0.2 0.860 114.4 48.1 -61.9 -37.4 11.7 56.8 -17.7 115 120 A R H ><5S+ 0 0 83 -4,-2.2 3,-1.1 239,-0.3 -2,-0.2 0.917 108.7 53.4 -69.0 -42.7 8.4 55.1 -18.0 116 121 A A H 3<5S+ 0 0 58 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.891 117.7 37.8 -56.0 -40.9 7.5 56.0 -14.4 117 122 A X T 3<5S- 0 0 104 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.391 110.5-124.0 -90.4 0.4 8.3 59.6 -15.3 118 123 A N T < 5S+ 0 0 111 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.893 72.3 119.1 52.9 46.0 6.8 59.3 -18.8 119 124 A Q < - 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0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.606 52.9-120.1 -64.2 127.9 58.8 31.9 1.1 693 326 B A + 0 0 15 -2,-0.4 2,-0.1 -3,-0.1 -24,-0.1 -0.527 47.6 157.5 -82.5 136.3 55.7 29.9 2.2 694 327 B X - 0 0 2 -2,-0.3 2,-0.5 -26,-0.1 -186,-0.2 -0.601 29.1-168.2-147.2 80.3 52.7 31.3 4.1 695 328 B F E -v 508 0J 1 -188,-3.2 -186,-2.9 -2,-0.1 2,-0.3 -0.627 18.0-128.5 -92.8 120.1 50.1 28.7 3.2 696 329 B E E -v 509 0J 2 -26,-0.7 2,-0.5 -2,-0.5 -186,-0.2 -0.445 24.4-174.5 -65.7 121.2 46.4 29.3 4.0 697 330 B W E -v 510 0J 11 -188,-2.5 -186,-2.7 -2,-0.3 2,-0.3 -0.949 22.0-135.4-119.9 109.5 44.8 26.5 5.9 698 331 B D E +v 511 0J 5 -2,-0.5 -186,-0.2 -188,-0.2 4,-0.1 -0.444 26.3 175.1 -56.6 116.4 41.0 26.8 6.5 699 332 B I + 0 0 29 -188,-2.6 -187,-0.2 -2,-0.3 -1,-0.2 0.318 41.6 110.3-108.3 4.5 40.4 25.8 10.1 700 333 B T S S- 0 0 32 -189,-0.6 2,-0.6 1,-0.1 -189,-0.0 -0.234 90.0 -77.2 -73.2 167.5 36.7 26.6 10.2 701 334 B H S S+ 0 0 83 -304,-0.1 2,-0.3 -307,-0.1 -1,-0.1 -0.593 71.4 154.0 -68.5 114.2 34.0 23.9 10.4 702 335 B N >> - 0 0 4 -2,-0.6 3,-1.6 -4,-0.1 4,-1.4 -0.809 37.1-169.3-154.3 103.4 34.0 22.6 6.9 703 336 B D H 3>>S+ 0 0 19 -2,-0.3 4,-2.3 1,-0.3 5,-1.1 0.733 92.5 66.2 -62.1 -25.3 33.0 19.0 5.7 704 337 B L H 345S+ 0 0 0 1,-0.2 -28,-2.3 3,-0.2 -27,-0.3 0.614 106.1 42.8 -73.0 -13.2 34.4 19.9 2.3 705 338 B X H <45S+ 0 0 9 -3,-1.6 -2,-0.2 -30,-0.3 -1,-0.2 0.793 127.9 23.9 -93.5 -40.7 37.9 20.1 3.9 706 339 B T H <5S+ 0 0 84 -4,-1.4 -2,-0.2 2,-0.1 -3,-0.2 0.698 127.5 34.9-107.5 -24.8 37.7 17.0 6.2 707 340 B R T <5S+ 0 0 133 -4,-2.3 -3,-0.2 -5,-0.2 29,-0.2 0.665 97.5 74.2-110.4 -22.9 35.2 14.6 4.8 708 341 B L S S-U 719 0I 112 3,-2.3 3,-1.6 -2,-0.4 -2,-0.0 -0.958 81.4 -23.6-131.0 112.5 55.0 19.0 11.8 717 350 B N T 3 S- 0 0 147 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.856 129.0 -49.3 48.8 42.7 56.8 21.9 13.3 718 351 B G T 3 S+ 0 0 3 1,-0.2 -210,-2.0 -185,-0.2 2,-0.3 0.393 117.4 116.5 86.8 -2.0 54.3 24.3 11.8 719 352 B L E < -TU 507 716I 27 -3,-1.6 -3,-2.3 -212,-0.2 2,-0.3 -0.766 47.6-158.8-111.4 142.8 54.6 22.7 8.4 720 353 B V E -T 506 0I 1 -214,-2.9 -214,-3.2 -2,-0.3 -5,-0.1 -0.808 10.8-146.0-107.9 157.9 52.2 20.7 6.1 721 354 B Q - 0 0 70 -7,-0.4 -7,-0.1 -2,-0.3 3,-0.1 -0.961 23.4-111.9-120.5 141.3 53.2 18.3 3.2 722 355 B P - 0 0 6 0, 0.0 7,-0.1 0, 0.0 -42,-0.0 -0.243 49.2 -80.9 -63.3 161.7 51.2 17.9 -0.0 723 356 B P - 0 0 4 0, 0.0 7,-0.1 0, 0.0 -12,-0.0 -0.337 35.2-148.5 -64.5 145.9 49.4 14.6 -0.6 724 357 B Q + 0 0 169 5,-0.3 5,-0.1 -3,-0.1 6,-0.1 0.426 63.2 96.7 -99.6 2.4 51.7 11.9 -1.9 725 358 B G S S- 0 0 21 4,-1.3 -232,-0.1 1,-0.2 2,-0.1 -0.068 88.3 -63.7 -77.1-175.7 49.3 9.9 -4.1 726 359 B P S > S- 0 0 34 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.444 102.7 -14.5 -72.7 146.2 48.8 10.3 -7.9 727 360 B G B 3 S+s 492 0H 0 -236,-3.0 -234,-1.9 1,-0.3 -233,-0.3 -0.439 148.6 0.2 63.9-132.7 47.5 13.6 -9.3 728 361 B L T 3 S- 0 0 1 -236,-0.2 -1,-0.3 -308,-0.1 -3,-0.2 0.759 109.3-122.4 -57.5 -24.4 46.0 15.7 -6.5 729 362 B G S < S+ 0 0 11 -3,-2.0 -4,-1.3 1,-0.3 -5,-0.3 0.624 71.6 71.9 100.1 16.3 47.1 12.7 -4.4 730 363 B F S S- 0 0 13 -4,-0.3 2,-0.4 -7,-0.1 -1,-0.3 -0.908 73.3-102.0-148.4 175.7 44.1 11.3 -2.6 731 364 B E - 0 0 106 -2,-0.3 -21,-1.5 -3,-0.1 2,-0.3 -0.838 31.2-121.5-106.9 142.3 40.8 9.4 -3.1 732 365 B I B -C 709 0K 22 -2,-0.4 2,-1.4 -23,-0.2 -23,-0.2 -0.633 14.9-132.6 -79.1 134.2 37.4 11.0 -3.2 733 366 B D > - 0 0 71 -25,-3.1 4,-1.9 -2,-0.3 3,-0.4 -0.741 27.8-178.3 -81.1 89.6 34.8 9.7 -0.8 734 367 B W H > S+ 0 0 102 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.698 77.5 61.6 -69.4 -21.0 32.0 9.3 -3.4 735 368 B D H > S+ 0 0 137 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.920 106.1 47.0 -64.9 -44.4 29.6 8.2 -0.7 736 369 B F H > S+ 0 0 15 -3,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.920 110.7 54.0 -60.7 -44.1 30.0 11.7 0.9 737 370 B V H >< S+ 0 0 8 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.966 110.3 43.7 -53.7 -60.1 29.6 13.2 -2.6 738 371 B A H >< S+ 0 0 79 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.775 108.3 61.5 -58.9 -29.1 26.3 11.5 -3.3 739 372 B A H 3< S+ 0 0 67 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.615 108.6 41.5 -72.1 -14.7 25.1 12.3 0.2 740 373 B H T << S+ 0 0 46 -3,-1.9 -350,-2.1 -4,-0.6 -1,-0.2 0.096 71.7 153.5-129.4 24.7 25.4 16.1 -0.3 741 374 B A B < -Q 389 0G 46 -3,-0.8 -352,-0.3 -352,-0.2 2,-0.1 -0.258 53.8-102.1 -53.1 138.0 24.0 16.8 -3.8 742 375 B W + 0 0 53 -354,-2.3 -1,-0.1 1,-0.1 -354,-0.1 -0.412 36.4 180.0 -67.1 137.6 22.7 20.4 -4.0 743 376 B K S S- 0 0 177 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.433 72.1 -63.6-115.8 -7.4 18.9 20.8 -3.9 744 377 B G S S+ 0 0 44 1,-0.2 -2,-0.1 -354,-0.0 -314,-0.0 0.382 80.8 153.3 138.2 2.9 18.7 24.6 -4.2 745 378 B E - 0 0 50 -355,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.288 26.9-152.9 -63.2 137.8 20.4 26.0 -1.1 746 379 B P 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -318,-0.0 -0.559 360.0 360.0 -99.4 172.3 22.1 29.4 -1.1 747 380 B A 0 0 62 -2,-0.2 -343,-0.1 -345,-0.2 -357,-0.0 0.243 360.0 360.0-130.3 360.0 25.0 30.8 1.0