==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-APR-10 3MKC . COMPND 2 MOLECULE: RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOVIBRIO SP. JE062; . AUTHOR S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEAR . 380 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.6 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 2 2 0 0 1 0 3 1 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 1 0 1 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 . 2 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 1 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 2 A S 0 0 155 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.4 34.6 23.7 -14.7 2 3 A L - 0 0 170 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.251 360.0 -96.8 -59.1 146.3 33.5 23.7 -11.1 3 4 A A - 0 0 99 1,-0.1 2,-0.2 3,-0.0 -1,-0.1 -0.336 34.1-122.2 -68.1 141.9 30.2 25.5 -10.3 4 5 A L - 0 0 160 1,-0.1 -1,-0.1 -3,-0.1 3,-0.0 -0.507 38.1 -88.7 -83.5 153.6 30.2 29.1 -9.0 5 6 A N > - 0 0 87 -2,-0.2 3,-1.2 1,-0.2 -1,-0.1 -0.470 30.8-156.7 -64.9 114.0 28.6 30.1 -5.7 6 7 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.748 86.7 70.1 -63.0 -25.2 24.9 30.9 -6.4 7 8 A A T 3 S+ 0 0 35 1,-0.2 2,-2.1 110,-0.1 29,-0.1 0.734 74.0 85.7 -66.6 -26.2 24.8 33.0 -3.2 8 9 A V < + 0 0 30 -3,-1.2 -1,-0.2 109,-0.1 106,-0.1 -0.570 68.7 169.0 -79.1 83.1 27.0 35.7 -4.6 9 10 A A - 0 0 8 -2,-2.1 3,-0.1 1,-0.1 -2,-0.1 -0.647 36.9 -92.0 -98.1 156.7 24.1 37.6 -6.3 10 11 A P - 0 0 37 0, 0.0 25,-1.9 0, 0.0 2,-0.3 -0.207 45.5 -96.4 -65.4 153.7 24.1 41.1 -7.8 11 12 A I E -A 34 0A 1 63,-2.4 62,-2.4 60,-0.4 23,-0.3 -0.534 37.9-177.8 -70.6 130.9 23.2 44.2 -5.9 12 13 A K E - 0 0 136 21,-3.2 2,-0.3 1,-0.3 22,-0.2 0.802 60.7 -0.8 -99.5 -39.5 19.6 45.0 -6.5 13 14 A S E -A 33 0A 50 20,-2.0 20,-2.4 58,-0.1 2,-0.4 -0.990 47.6-153.6-152.4 159.3 19.2 48.2 -4.4 14 15 A I E -A 32 0A 21 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.968 18.8-170.6-137.8 117.0 21.0 50.7 -2.2 15 16 A E E -A 31 0A 104 16,-2.7 16,-2.8 -2,-0.4 2,-0.6 -0.929 14.2-151.9-115.8 130.7 19.0 52.7 0.3 16 17 A F E -A 30 0A 14 -2,-0.4 14,-0.2 14,-0.2 27,-0.0 -0.893 17.0-164.4 -99.8 119.2 20.2 55.6 2.4 17 18 A I E -A 29 0A 35 12,-3.9 12,-2.5 -2,-0.6 10,-0.1 -0.844 9.0-147.0-114.4 99.9 18.2 55.8 5.6 18 19 A P E -A 28 0A 46 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.367 15.8-166.7 -61.1 132.4 18.4 59.0 7.7 19 20 A V E +A 27 0A 7 8,-3.0 8,-2.0 -2,-0.1 2,-0.4 -0.961 9.2 176.4-129.6 115.9 18.1 58.3 11.4 20 21 A N E -A 26 0A 94 -2,-0.5 2,-0.5 362,-0.2 6,-0.2 -0.972 12.2-160.7-122.5 129.0 17.5 61.1 13.9 21 22 A Y E A 25 0A 81 4,-2.3 4,-0.8 -2,-0.4 325,-0.0 -0.923 360.0 360.0-109.1 129.4 16.9 60.7 17.6 22 23 A Q 0 0 136 -2,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.807 360.0 360.0-104.9 360.0 15.3 63.5 19.6 23 ! 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 24 28 A S 0 0 139 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 132.6 21.6 65.9 18.5 25 29 A Q E +A 21 0A 61 -4,-0.8 -4,-2.3 -3,-0.1 2,-0.3 -0.815 360.0 137.4-100.9 137.3 22.3 62.3 17.6 26 30 A N E +A 20 0A 44 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.986 20.4 177.8-167.0 169.5 21.9 60.9 14.1 27 31 A T E -A 19 0A 0 -8,-2.0 -8,-3.0 -2,-0.3 2,-0.4 -0.947 30.0-116.0-164.6 178.1 23.3 58.8 11.4 28 32 A V E -AB 18 44A 0 16,-0.7 16,-2.1 -2,-0.3 2,-0.2 -0.915 26.4-150.4-132.7 103.9 22.6 57.6 7.9 29 33 A V E -AB 17 43A 1 -12,-2.5 -12,-3.9 -2,-0.4 2,-0.6 -0.552 6.4-152.3 -74.7 137.1 22.1 53.8 7.6 30 34 A V E -AB 16 42A 0 12,-3.0 12,-1.9 -2,-0.2 2,-0.6 -0.958 10.8-170.3-113.0 117.3 23.1 52.4 4.2 31 35 A K E -AB 15 41A 47 -16,-2.8 -16,-2.7 -2,-0.6 2,-0.6 -0.930 2.9-170.4-112.3 115.2 21.3 49.2 3.3 32 36 A V E -AB 14 40A 0 8,-2.3 8,-2.2 -2,-0.6 2,-0.4 -0.919 9.9-168.0-105.9 119.2 22.6 47.3 0.2 33 37 A T E -AB 13 39A 27 -20,-2.4 -21,-3.2 -2,-0.6 -20,-2.0 -0.882 7.4-146.7-111.3 137.2 20.2 44.5 -0.8 34 38 A D E > -A 11 0A 2 4,-3.2 3,-1.9 -2,-0.4 -23,-0.2 -0.373 37.6 -92.5 -93.0 177.6 21.0 41.8 -3.3 35 39 A E T 3 S+ 0 0 116 -25,-1.9 -24,-0.1 1,-0.3 -1,-0.1 0.558 124.8 54.7 -67.4 -7.8 18.6 40.1 -5.8 36 40 A N T 3 S- 0 0 110 -26,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.385 120.8-104.1-104.1 0.8 17.9 37.3 -3.2 37 41 A G S < S+ 0 0 48 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.417 76.6 135.8 93.2 -2.6 16.9 39.8 -0.5 38 42 A V - 0 0 49 -5,-0.0 -4,-3.2 75,-0.0 -1,-0.3 -0.577 35.5-166.7 -77.8 143.0 20.1 39.5 1.5 39 43 A Y E -B 33 0A 44 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.917 18.8-146.9-135.6 160.9 21.4 42.9 2.7 40 44 A G E -B 32 0A 0 -8,-2.2 -8,-2.3 -2,-0.3 2,-0.4 -0.942 16.3-142.0-123.5 146.7 24.4 44.6 4.2 41 45 A L E +B 31 0A 0 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.912 29.4 148.1-116.1 135.9 24.5 47.5 6.6 42 46 A G E -B 30 0A 0 -12,-1.9 -12,-3.0 -2,-0.4 2,-0.3 -0.814 28.0-137.7-145.1-179.4 26.8 50.4 6.8 43 47 A E E -B 29 0A 0 -14,-0.3 2,-0.3 -2,-0.3 -14,-0.2 -0.995 3.9-146.5-152.0 148.9 26.6 54.0 7.8 44 48 A A E -B 28 0A 0 -16,-2.1 -16,-0.7 -2,-0.3 242,-0.2 -0.885 15.6-130.2-116.3 146.4 27.7 57.4 6.6 45 49 A D + 0 0 36 240,-2.2 60,-0.1 -2,-0.3 -18,-0.1 -0.295 60.6 68.3 -83.8 174.0 28.7 60.6 8.5 46 50 A G S S- 0 0 15 -20,-0.1 -2,-0.1 -2,-0.1 5,-0.0 -0.155 96.8 -34.4 102.0 163.8 27.4 64.0 7.7 47 51 A S >> - 0 0 72 1,-0.2 4,-2.7 -2,-0.1 3,-0.7 -0.390 58.5-136.8 -57.0 119.5 24.0 65.8 8.0 48 52 A P H 3> S+ 0 0 5 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.873 101.9 50.0 -47.5 -45.1 21.5 63.1 7.3 49 53 A D H 3> S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.845 111.8 47.4 -66.5 -33.5 19.4 65.3 5.1 50 54 A A H <> S+ 0 0 38 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.908 113.5 49.0 -73.1 -40.8 22.4 66.5 3.0 51 55 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.930 110.1 50.3 -63.7 -46.3 23.6 62.9 2.7 52 56 A L H X S+ 0 0 61 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.927 111.7 48.8 -58.3 -44.3 20.2 61.7 1.5 53 57 A A H >< S+ 0 0 61 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.926 111.2 49.6 -62.2 -43.9 20.0 64.4 -1.1 54 58 A Y H >< S+ 0 0 18 -4,-2.4 3,-1.3 1,-0.3 13,-0.4 0.899 108.1 54.1 -61.2 -40.5 23.4 63.6 -2.3 55 59 A A H 3< S+ 0 0 5 -4,-2.5 13,-0.3 1,-0.2 -1,-0.3 0.638 110.7 47.8 -69.4 -14.4 22.5 60.0 -2.6 56 60 A N T << S+ 0 0 115 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.187 80.8 127.5-113.6 17.1 19.5 60.9 -4.7 57 61 A I < - 0 0 46 -3,-1.3 2,-0.4 -4,-0.1 -3,-0.0 -0.316 61.4-109.8 -72.5 157.6 21.1 63.2 -7.3 58 62 A E - 0 0 167 7,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.722 32.0-109.2 -91.4 138.9 20.6 62.7 -11.0 59 63 A T + 0 0 44 -2,-0.4 6,-0.2 1,-0.1 3,-0.1 -0.414 41.0 167.4 -65.6 133.2 23.5 61.6 -13.2 60 64 A E - 0 0 146 4,-3.2 2,-0.3 1,-0.4 5,-0.2 0.756 55.1 -14.3-115.5 -49.0 24.8 64.3 -15.5 61 65 A H B > S-C 64 0B 74 3,-0.9 3,-1.5 28,-0.2 -1,-0.4 -0.865 83.2 -69.0-148.0-177.0 28.1 63.4 -17.0 62 66 A K T 3 S+ 0 0 138 1,-0.3 29,-0.2 -2,-0.3 3,-0.2 0.802 131.6 31.8 -46.9 -40.3 31.1 61.0 -16.7 63 67 A W T 3 S+ 0 0 106 1,-0.2 29,-2.6 27,-0.1 30,-0.5 0.401 112.2 64.9-102.7 1.7 32.3 62.5 -13.5 64 68 A L B < S+C 61 0B 11 -3,-1.5 -4,-3.2 28,-0.2 -3,-0.9 -0.700 70.4 145.1-126.0 77.9 28.9 63.5 -12.0 65 69 A T - 0 0 6 24,-1.6 2,-0.2 -2,-0.4 -8,-0.1 -0.787 59.0 -96.2-114.7 154.5 27.1 60.3 -11.4 66 70 A N >> - 0 0 20 -2,-0.3 4,-0.6 1,-0.1 3,-0.5 -0.523 39.9-126.9 -66.0 137.4 24.6 59.2 -8.7 67 71 A I T 34 S+ 0 0 1 -13,-0.4 3,-0.4 1,-0.2 4,-0.2 0.863 104.5 47.8 -57.3 -41.5 26.8 57.3 -6.2 68 72 A T T >> S+ 0 0 24 -13,-0.3 4,-2.1 1,-0.2 3,-2.0 0.762 91.8 82.0 -73.8 -24.5 24.7 54.1 -6.1 69 73 A E T <4 S+ 0 0 90 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.863 90.6 48.1 -49.4 -46.3 24.5 53.8 -9.9 70 74 A K T 3< S+ 0 0 92 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 0.515 113.3 49.2 -77.4 -2.1 27.9 52.2 -10.4 71 75 A A T X4 S+ 0 0 0 -3,-2.0 3,-2.2 -4,-0.2 -60,-0.4 0.767 84.6 98.3-101.5 -38.5 27.2 49.6 -7.6 72 76 A I T 3< S+ 0 0 67 -4,-2.1 -60,-0.2 1,-0.3 3,-0.1 -0.270 93.1 17.5 -53.9 130.1 23.7 48.4 -8.7 73 77 A G T 3 S+ 0 0 43 -62,-2.4 -1,-0.3 1,-0.3 2,-0.1 0.142 99.2 119.0 93.8 -20.1 24.1 45.1 -10.6 74 78 A R S < S- 0 0 77 -3,-2.2 -63,-2.4 -64,-0.2 -1,-0.3 -0.394 73.3-105.1 -81.1 156.1 27.6 44.4 -9.4 75 79 A L > - 0 0 65 -65,-0.2 3,-2.2 1,-0.1 7,-0.1 -0.730 26.4-135.0 -82.3 122.9 28.6 41.3 -7.3 76 80 A P T 3 S+ 0 0 0 0, 0.0 38,-0.3 0, 0.0 3,-0.2 0.669 98.4 71.4 -48.6 -26.8 29.1 42.4 -3.7 77 81 A I T 3 S+ 0 0 70 1,-0.2 2,-1.4 37,-0.1 3,-0.3 0.745 81.5 72.5 -67.4 -24.9 32.3 40.4 -3.5 78 82 A E <> + 0 0 90 -3,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.359 58.4 148.9 -88.7 58.1 34.2 42.8 -5.8 79 83 A I H > + 0 0 11 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.882 68.1 50.5 -58.9 -42.8 34.4 45.5 -3.1 80 84 A N H > S+ 0 0 85 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.906 113.4 45.0 -63.5 -43.9 37.7 46.9 -4.3 81 85 A A H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.874 112.2 50.6 -69.5 -38.7 36.4 47.2 -7.9 82 86 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.891 107.2 56.0 -66.4 -37.4 33.1 48.7 -6.9 83 87 A W H X S+ 0 0 1 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.956 110.1 44.5 -56.7 -52.4 34.9 51.3 -4.8 84 88 A D H X S+ 0 0 71 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.874 112.6 52.6 -60.5 -39.4 36.9 52.4 -7.8 85 89 A A H X S+ 0 0 25 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.912 112.7 43.1 -64.6 -44.9 33.8 52.4 -10.0 86 90 A X H X S+ 0 0 0 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.940 116.4 47.8 -66.3 -48.2 31.9 54.6 -7.6 87 91 A Y H >< S+ 0 0 28 -4,-2.8 3,-1.2 -5,-0.3 4,-0.4 0.939 111.4 49.8 -58.4 -50.4 34.8 57.0 -7.0 88 92 A D H >< S+ 0 0 74 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.871 111.0 49.9 -58.0 -38.9 35.7 57.4 -10.6 89 93 A A H 3< S+ 0 0 3 -4,-1.7 -24,-1.6 1,-0.2 -1,-0.2 0.551 114.1 43.7 -80.3 -6.4 32.1 58.2 -11.6 90 94 A T T XX S+ 0 0 2 -3,-1.2 4,-2.2 -4,-0.7 3,-1.5 0.209 70.9 119.2-123.0 14.6 31.7 60.9 -8.9 91 95 A Q H <> + 0 0 54 -3,-0.7 4,-0.7 -4,-0.4 -27,-0.2 0.789 65.1 69.8 -51.9 -33.4 34.9 62.8 -9.1 92 96 A W H 34 S- 0 0 177 -29,-2.6 -1,-0.3 1,-0.2 -28,-0.2 0.847 127.1 -1.1 -58.2 -33.6 33.2 66.1 -10.0 93 97 A Q H <4 S+ 0 0 84 -3,-1.5 6,-0.5 -30,-0.5 -2,-0.2 0.315 130.1 55.1-140.1 11.2 31.7 66.4 -6.5 94 98 A G H < + 0 0 1 -4,-2.2 -3,-0.2 -7,-0.2 9,-0.1 0.333 65.3 100.9-131.3 12.7 32.7 63.4 -4.4 95 99 A X S < S+ 0 0 75 -4,-0.7 2,-0.3 -5,-0.3 -4,-0.1 0.767 99.3 3.7 -68.6 -26.1 36.5 63.1 -4.4 96 100 A R S > S+ 0 0 95 -5,-0.1 3,-0.6 166,-0.0 4,-0.2 -0.902 111.3 18.7-146.9 172.6 36.7 64.7 -1.0 97 101 A G T >> S- 0 0 32 -2,-0.3 3,-1.4 1,-0.2 4,-0.8 -0.218 115.7 -2.1 66.9-150.0 34.4 65.9 1.7 98 102 A L H >> S+ 0 0 67 1,-0.3 4,-1.4 2,-0.2 3,-1.2 0.832 125.5 61.6 -46.0 -48.1 30.7 65.0 2.1 99 103 A G H <> S+ 0 0 5 -3,-0.6 4,-1.8 -6,-0.5 -1,-0.3 0.853 100.7 55.1 -51.6 -37.3 30.6 62.8 -1.0 100 104 A X H <> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.2 -1,-0.3 0.784 98.5 60.9 -69.6 -26.8 33.1 60.5 0.5 101 105 A F H S+ 0 0 0 -4,-1.5 5,-2.2 -5,-0.3 4,-1.4 0.932 110.1 49.9 -66.2 -45.6 30.3 38.3 4.1 116 120 A K H <5S+ 0 0 65 -4,-2.2 -2,-0.2 252,-0.2 -1,-0.2 0.859 111.0 49.6 -63.0 -34.9 26.7 37.2 4.6 117 121 A Q H <5S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.932 119.4 37.4 -67.9 -44.9 26.5 35.8 1.1 118 122 A L H <5S- 0 0 59 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.518 107.6-124.8 -84.6 -6.8 29.7 33.8 1.6 119 123 A G T <5S+ 0 0 49 -4,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.894 70.4 120.0 64.2 39.7 28.9 33.0 5.2 120 124 A V < - 0 0 36 -5,-2.2 249,-2.5 -6,-0.1 -1,-0.2 -0.991 68.2-103.2-136.7 144.6 32.2 34.4 6.5 121 125 A P B >> -d 369 0C 13 0, 0.0 3,-1.2 0, 0.0 4,-1.0 -0.271 34.4-113.9 -63.2 152.0 33.0 37.3 8.9 122 126 A A H >> S+ 0 0 0 247,-2.7 4,-1.3 245,-0.3 3,-0.8 0.876 112.0 61.7 -54.9 -44.1 34.1 40.6 7.5 123 127 A Y H 34>S+ 0 0 14 246,-0.3 5,-2.5 1,-0.3 -1,-0.3 0.766 100.2 55.9 -58.9 -23.5 37.6 40.4 8.9 124 128 A Q H X45S+ 0 0 95 -3,-1.2 3,-1.3 3,-0.2 -1,-0.3 0.851 102.9 53.5 -77.5 -31.8 38.3 37.3 6.9 125 129 A L H <<5S+ 0 0 45 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.786 106.6 55.3 -69.6 -25.4 37.4 39.1 3.7 126 130 A L T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 197,-0.1 -2,-0.2 0.387 139.2 -77.5 -86.8 3.5 39.9 41.7 4.8 127 131 A G T < 5 - 0 0 59 -3,-1.3 -3,-0.2 2,-0.0 -2,-0.1 0.349 64.2-101.8 122.4 -8.1 42.6 39.0 5.1 128 132 A G < - 0 0 23 -5,-2.5 2,-0.3 -6,-0.1 -4,-0.0 -0.277 40.5-102.7 84.5-176.4 42.0 37.1 8.3 129 133 A T - 0 0 28 1,-0.1 198,-0.1 -2,-0.1 197,-0.1 -0.977 16.5-159.4-148.8 160.8 43.9 37.6 11.6 130 134 A N S S+ 0 0 177 196,-0.4 2,-0.4 -2,-0.3 197,-0.1 0.272 71.3 100.2-117.8 1.6 46.6 36.1 13.8 131 135 A K - 0 0 71 195,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.714 57.4-160.1 -88.2 137.1 45.4 38.0 16.9 132 136 A D S S+ 0 0 130 -2,-0.4 232,-0.6 1,-0.3 2,-0.3 0.738 78.3 7.7 -88.9 -19.1 43.3 36.0 19.2 133 137 A K E -E 363 0D 51 230,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.993 64.1-145.0-155.4 155.0 41.9 39.2 20.8 134 138 A V E -E 362 0D 4 228,-2.0 228,-2.9 -2,-0.3 199,-0.1 -0.908 9.9-148.2-123.2 153.1 41.9 43.0 20.3 135 139 A H - 0 0 37 197,-0.5 199,-0.3 -2,-0.3 226,-0.2 -0.967 11.1-160.4-125.2 119.8 41.8 45.8 22.8 136 140 A P - 0 0 2 0, 0.0 35,-0.5 0, 0.0 2,-0.4 -0.467 16.7-129.1 -92.0 166.2 40.1 49.2 22.2 137 141 A Y E -f 335 0E 0 197,-2.4 199,-1.8 -2,-0.1 2,-0.5 -0.904 27.7-133.5-107.9 143.0 40.7 52.4 24.0 138 142 A L E -fg 336 172E 1 33,-2.4 35,-2.2 -2,-0.4 2,-0.6 -0.877 6.6-136.6-104.2 131.2 37.5 54.0 25.3 139 143 A T E - g 0 173E 13 197,-1.1 2,-0.3 -2,-0.5 199,-0.2 -0.744 27.5-164.3 -86.1 123.2 36.7 57.6 24.7 140 144 A L + 0 0 1 33,-2.9 35,-0.3 -2,-0.6 202,-0.1 -0.837 21.0 160.3-113.3 147.3 35.3 59.2 27.9 141 145 A Y - 0 0 98 -2,-0.3 33,-0.0 200,-0.2 16,-0.0 -0.785 25.8-140.8-164.3 115.5 33.4 62.4 28.6 142 146 A P - 0 0 13 0, 0.0 2,-1.5 0, 0.0 15,-0.1 -0.178 35.4 -95.3 -73.1 169.8 31.2 63.2 31.6 143 147 A A S S+ 0 0 94 13,-0.2 14,-0.0 2,-0.0 -2,-0.0 -0.695 70.8 148.9 -86.3 86.9 27.9 65.2 31.5 144 148 A I 0 0 25 -2,-1.5 4,-0.2 4,-0.0 9,-0.0 -0.959 360.0 360.0-128.4 143.1 29.5 68.5 32.3 145 149 A P 0 0 124 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.784 360.0 360.0-131.5 360.0 28.6 72.2 31.5 146 ! 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 0.0 147 151 A D 0 0 57 0, 0.0 34,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 139.3 31.9 74.0 29.0 148 152 A A - 0 0 15 -4,-0.2 2,-0.3 1,-0.1 -4,-0.0 0.298 360.0 -96.5 -69.9-171.3 32.7 73.5 32.6 149 153 A S > - 0 0 61 31,-0.1 4,-3.2 -4,-0.1 5,-0.3 -0.713 41.4 -97.0-109.2 160.7 35.4 74.6 35.1 150 154 A L H > S+ 0 0 29 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.894 122.8 41.9 -43.9 -57.5 38.5 72.8 36.2 151 155 A D H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 116.9 48.1 -59.3 -45.4 37.0 71.3 39.4 152 156 A V H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 111.6 49.6 -63.5 -43.0 33.7 70.4 37.7 153 157 A A H X S+ 0 0 0 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.942 113.5 46.4 -61.9 -47.5 35.4 68.7 34.7 154 158 A I H X S+ 0 0 22 -4,-2.4 4,-2.6 -5,-0.3 3,-0.5 0.953 110.9 50.1 -60.3 -53.9 37.7 66.7 37.0 155 159 A K H < S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.898 110.5 52.8 -52.9 -42.5 35.0 65.5 39.4 156 160 A G H < S+ 0 0 19 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.3 0.851 111.6 44.1 -63.2 -36.7 32.9 64.5 36.3 157 161 A Y H >X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.5 3,-0.9 0.871 95.9 78.6 -76.4 -36.9 35.7 62.4 34.9 158 162 A A H 3X S+ 0 0 24 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.845 94.8 44.0 -39.1 -58.2 36.7 60.7 38.1 159 163 A P H 3> S+ 0 0 78 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.831 113.6 52.1 -62.9 -30.5 33.9 58.1 38.3 160 164 A L H <> S+ 0 0 39 -3,-0.9 4,-2.0 -4,-0.5 -2,-0.2 0.915 111.8 46.2 -70.0 -42.3 34.4 57.3 34.6 161 165 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.901 112.5 49.7 -66.5 -41.3 38.1 56.7 35.1 162 166 A E H X S+ 0 0 97 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.900 110.6 50.8 -64.7 -39.3 37.5 54.6 38.2 163 167 A K H X S+ 0 0 74 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.884 106.0 55.2 -65.2 -39.2 34.9 52.5 36.3 164 168 A A H <>S+ 0 0 1 -4,-2.0 5,-2.8 1,-0.2 3,-0.3 0.907 109.4 47.0 -60.8 -41.5 37.4 52.0 33.4 165 169 A K H ><5S+ 0 0 78 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.874 107.4 57.0 -67.3 -36.6 39.9 50.6 35.9 166 170 A A H 3<5S+ 0 0 75 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 111.2 43.3 -64.3 -27.8 37.2 48.4 37.5 167 171 A H T 3<5S- 0 0 73 -4,-1.4 -1,-0.3 -3,-0.3 193,-0.2 0.177 113.8-118.9-102.1 14.8 36.6 46.9 34.0 168 172 A N T < 5 - 0 0 94 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.854 43.6-179.2 49.4 42.1 40.3 46.6 33.3 169 173 A I < - 0 0 4 -5,-2.8 -1,-0.2 1,-0.1 3,-0.1 -0.603 22.5-145.6 -71.6 127.6 40.0 48.8 30.2 170 174 A R S S+ 0 0 88 190,-0.4 33,-2.0 -2,-0.4 2,-0.3 0.715 72.7 5.9 -70.3 -22.5 43.5 49.0 28.8 171 175 A A E - h 0 203E 0 -35,-0.5 -33,-2.4 31,-0.2 2,-0.3 -0.975 59.1-168.7-162.6 147.3 43.3 52.6 27.6 172 176 A V E -gh 138 204E 0 31,-2.2 33,-2.7 -2,-0.3 2,-0.4 -0.959 13.7-141.5-137.6 154.1 41.0 55.7 27.8 173 177 A K E -gh 139 205E 2 -35,-2.2 -33,-2.9 -2,-0.3 2,-0.3 -0.970 16.1-169.5-119.6 131.7 40.9 59.1 26.1 174 178 A V E - h 0 206E 0 31,-2.3 33,-2.4 -2,-0.4 2,-0.3 -0.716 10.8-141.9-111.5 165.4 39.9 62.2 27.9 175 179 A C E - h 0 207E 10 -35,-0.3 33,-0.2 -2,-0.3 31,-0.0 -0.906 14.0-125.9-129.4 158.1 39.1 65.6 26.3 176 180 A V - 0 0 0 31,-2.0 4,-0.1 -2,-0.3 35,-0.1 -0.916 46.4-109.3-100.6 112.9 39.7 69.3 27.2 177 181 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 -24,-0.0 -0.148 23.2-132.9 -45.6 128.7 36.2 70.9 27.0 178 182 A I T 3 S+ 0 0 111 1,-0.3 2,-0.1 3,-0.1 -2,-0.0 0.935 101.6 42.8 -48.7 -65.0 35.9 73.2 24.0 179 183 A K T 3 S+ 0 0 178 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.099 86.0 123.2 -76.4 26.3 34.4 76.3 25.6 180 184 A A < - 0 0 5 -3,-1.5 -31,-0.1 1,-0.1 -32,-0.1 -0.772 52.2-156.1 -88.5 130.1 36.8 76.0 28.6 181 185 A D + 0 0 143 -2,-0.5 -1,-0.1 -34,-0.1 -2,-0.1 0.216 41.3 144.6 -90.8 16.3 38.8 79.1 29.0 182 186 A W - 0 0 12 4,-0.1 -2,-0.1 1,-0.1 2,-0.0 -0.244 49.3-125.6 -57.2 138.4 41.6 77.3 30.8 183 187 A S > - 0 0 60 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.249 33.1 -98.2 -73.9 173.0 45.1 78.7 30.1 184 188 A T H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.866 126.7 54.8 -64.6 -33.2 47.7 76.2 28.9 185 189 A K H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 107.3 49.9 -66.4 -35.2 49.1 75.9 32.4 186 190 A E H > S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.866 107.8 53.5 -69.8 -36.5 45.6 75.0 33.7 187 191 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.899 108.1 50.6 -64.1 -39.7 45.3 72.4 31.0 188 192 A A H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.919 111.0 48.6 -62.8 -43.1 48.6 70.9 32.1 189 193 A Y H X S+ 0 0 107 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.941 110.3 53.0 -59.2 -49.0 47.2 70.9 35.7 190 194 A Y H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.923 110.0 45.0 -51.8 -55.2 44.0 69.2 34.5 191 195 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.820 110.5 55.9 -64.1 -30.5 45.8 66.4 32.7 192 196 A R H X S+ 0 0 80 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.887 108.9 47.1 -69.2 -36.6 48.0 65.9 35.7 193 197 A E H X S+ 0 0 75 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.904 112.8 47.9 -71.0 -41.0 45.0 65.5 37.9 194 198 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.893 112.7 48.4 -66.8 -39.8 43.3 63.0 35.6 195 199 A R H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.856 108.5 55.7 -67.4 -34.1 46.4 61.0 35.2 196 200 A G H < S+ 0 0 61 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.901 112.3 42.2 -63.8 -40.3 46.8 61.0 39.0 197 201 A I H < S+ 0 0 41 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.937 117.9 45.3 -69.8 -49.8 43.3 59.5 39.3 198 202 A L H < S- 0 0 2 -4,-2.9 4,-0.2 -5,-0.1 -2,-0.2 0.851 101.1-141.1 -65.0 -38.8 43.7 57.0 36.5 199 203 A G < - 0 0 24 -4,-2.7 3,-0.2 -5,-0.2 -1,-0.1 -0.226 24.8 -87.0 94.1 168.9 47.1 55.8 37.5 200 204 A H S S+ 0 0 97 1,-0.2 -1,-0.1 -4,-0.1 4,-0.1 0.524 111.8 79.1 -94.2 -6.3 49.9 54.9 35.1 201 205 A D S S+ 0 0 169 -3,-0.2 2,-0.5 2,-0.1 -1,-0.2 0.792 89.1 62.2 -70.1 -28.6 48.9 51.3 34.5 202 206 A T S S- 0 0 14 -3,-0.2 -31,-0.2 -4,-0.2 -32,-0.1 -0.855 91.6-119.2-102.5 130.6 46.2 52.4 32.0 203 207 A D E -h 171 0E 48 -33,-2.0 -31,-2.2 -2,-0.5 2,-0.5 -0.406 28.5-154.7 -66.1 143.5 47.2 54.2 28.8 204 208 A X E -h 172 0E 0 25,-0.3 27,-2.2 -33,-0.2 28,-0.5 -0.974 10.2-171.3-129.6 121.7 45.8 57.7 28.6 205 209 A X E -hi 173 232E 0 -33,-2.7 -31,-2.3 -2,-0.5 2,-0.4 -0.680 12.0-145.3-103.6 158.8 45.1 59.6 25.3 206 210 A V E -hi 174 233E 0 26,-1.6 28,-3.4 -2,-0.2 2,-0.6 -0.990 9.2-161.3-134.9 132.0 44.1 63.3 25.1 207 211 A D E -hi 175 234E 12 -33,-2.4 -31,-2.0 -2,-0.4 28,-0.2 -0.939 3.8-173.8-108.9 111.1 41.8 65.1 22.7 208 212 A Y > - 0 0 1 26,-3.0 3,-1.0 -2,-0.6 27,-0.2 0.464 32.1-135.5 -85.2 -0.5 42.5 68.9 22.8 209 213 A L T 3 - 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