==== 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 24-DEC-09 3L6R . COMPND 2 MOLECULE: SERINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.SMITH,V.MACK,A.EBNETH,A.CESURA,B.FELICETTI,J.BARKER . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 2 3 2 1 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 3 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 A 0 0 125 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.6 -9.5 6.4 -3.8 2 4 A Q + 0 0 180 4,-0.0 2,-0.2 2,-0.0 4,-0.1 -0.975 360.0 173.5-121.3 127.9 -5.9 6.3 -4.8 3 5 A Y - 0 0 51 2,-0.5 237,-0.1 -2,-0.5 236,-0.1 -0.521 52.9 -83.9-115.9-179.7 -4.6 8.1 -7.9 4 6 A D S S+ 0 0 78 235,-0.4 2,-0.3 -2,-0.2 236,-0.1 0.621 113.6 27.7 -70.8 -13.1 -1.1 8.6 -9.2 5 7 A I S S- 0 0 6 147,-0.1 -2,-0.5 148,-0.0 2,-0.3 -0.935 70.7-152.9-134.4 164.2 -0.6 11.6 -6.9 6 8 A S >> - 0 0 53 -2,-0.3 4,-1.1 -4,-0.1 3,-0.5 -0.832 36.1-102.3-126.4 167.0 -2.0 12.7 -3.6 7 9 A F H 3> S+ 0 0 41 -2,-0.3 4,-2.5 1,-0.2 3,-0.3 0.881 120.9 60.8 -54.2 -40.3 -2.6 16.0 -2.0 8 10 A A H 3> S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 99.2 56.0 -59.0 -35.7 0.5 15.4 0.1 9 11 A D H <> S+ 0 0 60 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.884 108.7 47.8 -59.7 -39.5 2.6 15.2 -3.1 10 12 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -2,-0.2 0.913 109.6 50.9 -70.0 -44.3 1.3 18.7 -4.0 11 13 A E H X S+ 0 0 95 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.932 112.9 47.6 -58.4 -44.0 2.0 20.2 -0.6 12 14 A K H X S+ 0 0 129 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.908 109.7 52.2 -63.2 -43.2 5.5 18.8 -0.8 13 15 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 5,-0.3 0.907 106.5 55.1 -60.0 -40.2 6.0 20.1 -4.3 14 16 A H H X S+ 0 0 29 -4,-2.3 4,-1.9 1,-0.2 3,-0.4 0.905 108.0 46.2 -61.9 -48.7 5.0 23.5 -3.2 15 17 A I H < S+ 0 0 80 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.915 114.5 50.8 -55.3 -40.8 7.5 23.7 -0.4 16 18 A N H < S+ 0 0 86 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.593 121.1 29.1 -80.9 -12.6 10.2 22.4 -2.8 17 19 A I H >X S+ 0 0 0 -4,-1.2 3,-2.4 -3,-0.4 4,-0.5 0.558 91.8 92.6-116.0 -14.8 9.5 24.8 -5.6 18 20 A R G >< S+ 0 0 125 -4,-1.9 3,-0.7 1,-0.3 -2,-0.1 0.809 85.1 53.0 -58.9 -29.8 8.2 28.0 -4.0 19 21 A D G 34 S+ 0 0 146 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.497 112.6 46.5 -83.5 1.0 11.6 29.6 -3.6 20 22 A S G <4 S+ 0 0 25 -3,-2.4 2,-0.3 2,-0.0 -1,-0.2 0.347 109.0 54.5-120.9 3.4 12.3 29.1 -7.3 21 23 A I S << S- 0 0 14 -3,-0.7 2,-0.4 -4,-0.5 27,-0.1 -0.797 84.6 -98.9-127.5 171.1 9.0 30.3 -8.8 22 24 A H - 0 0 89 -2,-0.3 2,-1.3 23,-0.1 -3,-0.1 -0.770 18.7-134.2 -92.9 140.6 6.8 33.4 -8.7 23 25 A L - 0 0 113 -2,-0.4 22,-0.0 -5,-0.1 -1,-0.0 -0.778 41.7-148.1 -85.6 88.7 3.8 33.7 -6.5 24 26 A T - 0 0 2 -2,-1.3 21,-0.1 1,-0.1 24,-0.0 -0.283 10.0-108.7 -71.4 152.0 1.8 35.1 -9.4 25 27 A P - 0 0 51 0, 0.0 19,-2.5 0, 0.0 2,-0.5 -0.219 13.1-129.3 -79.2 164.3 -0.9 37.6 -8.8 26 28 A V E -A 43 0A 35 17,-0.2 2,-0.2 139,-0.1 17,-0.2 -0.980 31.7-171.7-108.3 120.0 -4.6 37.4 -9.0 27 29 A L E -A 42 0A 66 15,-2.2 15,-3.0 -2,-0.5 2,-0.3 -0.697 6.3-150.9-112.8 157.9 -6.1 40.2 -11.1 28 30 A T - 0 0 87 -2,-0.2 2,-0.3 13,-0.2 13,-0.1 -0.880 5.5-157.2-128.2 163.0 -9.6 41.3 -11.8 29 31 A S > - 0 0 7 11,-0.4 4,-1.9 -2,-0.3 11,-0.2 -0.943 9.9-161.3-144.2 117.5 -11.7 43.0 -14.5 30 32 A S H > S+ 0 0 71 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.875 95.7 56.6 -69.8 -29.5 -14.9 44.8 -14.1 31 33 A I H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 109.0 45.1 -65.0 -44.0 -15.7 44.6 -17.8 32 34 A L H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 6,-0.3 0.875 110.6 54.8 -69.1 -36.0 -15.4 40.8 -17.7 33 35 A N H X S+ 0 0 36 -4,-1.9 4,-2.2 1,-0.2 5,-0.4 0.903 109.6 48.2 -58.8 -42.1 -17.5 40.7 -14.5 34 36 A Q H < S+ 0 0 149 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.889 109.8 51.7 -68.1 -39.6 -20.1 42.6 -16.4 35 37 A L H < S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.826 121.3 30.4 -66.9 -30.9 -20.0 40.4 -19.3 36 38 A T H < S- 0 0 28 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.678 93.2-129.1-104.0 -22.1 -20.5 37.2 -17.3 37 39 A G S < S+ 0 0 70 -4,-2.2 2,-0.2 1,-0.3 -3,-0.1 0.554 76.5 103.1 78.3 10.6 -22.5 38.2 -14.3 38 40 A R S S- 0 0 30 -5,-0.4 2,-0.7 -6,-0.3 -1,-0.3 -0.610 81.6-109.6-118.4 173.6 -19.9 36.5 -12.1 39 41 A N E - b 0 299A 46 259,-2.6 261,-2.3 -2,-0.2 2,-0.3 -0.935 45.6-164.0-110.4 95.8 -17.1 37.7 -9.9 40 42 A L E - b 0 300A 3 -2,-0.7 2,-0.4 -11,-0.2 -11,-0.4 -0.644 14.9-168.9 -91.0 146.8 -14.0 36.6 -11.9 41 43 A F E - b 0 301A 39 259,-2.3 261,-2.7 -2,-0.3 2,-0.6 -0.999 12.2-147.6-133.0 134.9 -10.4 36.3 -10.7 42 44 A F E -Ab 27 302A 0 -15,-3.0 -15,-2.2 -2,-0.4 2,-0.7 -0.907 2.4-152.1-113.3 112.6 -7.5 35.8 -13.0 43 45 A K E -Ab 26 303A 0 259,-2.0 261,-2.3 -2,-0.6 2,-1.7 -0.724 20.1-143.1 -81.7 109.3 -4.5 33.7 -11.8 44 46 A C E > + b 0 304A 0 -19,-2.5 3,-1.2 -2,-0.7 261,-0.1 -0.511 42.8 151.1 -86.4 74.0 -1.6 35.2 -13.8 45 47 A E G > + 0 0 0 -2,-1.7 3,-1.9 259,-1.1 262,-0.2 0.615 62.8 80.9 -74.7 -11.1 0.6 32.2 -14.6 46 48 A L G 3 S+ 0 0 18 258,-0.8 261,-0.2 260,-0.3 -1,-0.2 0.689 89.3 56.4 -62.3 -20.2 1.6 34.1 -17.8 47 49 A F G < S+ 0 0 93 -3,-1.2 -1,-0.3 -22,-0.1 -2,-0.2 0.337 85.8 114.6 -90.0 -0.4 3.9 36.0 -15.5 48 50 A Q S X S- 0 0 6 -3,-1.9 3,-2.1 1,-0.1 5,-0.1 -0.282 86.0 -76.0 -67.0 158.1 5.6 32.7 -14.3 49 51 A K G > S+ 0 0 59 1,-0.2 3,-0.6 2,-0.1 6,-0.4 -0.404 122.8 16.3 -53.1 130.5 9.2 32.0 -15.0 50 52 A T G 3 S- 0 0 18 1,-0.2 -1,-0.2 -3,-0.1 32,-0.1 0.345 127.2 -78.2 79.1 -0.7 9.5 30.9 -18.8 51 53 A G G < S+ 0 0 13 -3,-2.1 256,-2.6 1,-0.2 257,-0.4 0.413 107.1 54.6 96.0 -0.6 6.0 32.3 -19.6 52 54 A S B X S-F 306 0B 0 -3,-0.6 3,-1.1 254,-0.2 254,-0.2 -0.976 87.8-100.8-156.5 166.8 3.8 29.6 -18.3 53 55 A F T > S+ 0 0 0 252,-1.7 3,-2.2 -2,-0.3 4,-0.5 0.592 96.0 93.9 -62.6 -17.1 2.9 27.5 -15.3 54 56 A X T 3> + 0 0 14 1,-0.3 4,-1.7 251,-0.2 -1,-0.2 0.710 65.1 76.7 -60.4 -14.5 4.9 24.6 -16.6 55 57 A I H <> S+ 0 0 0 -3,-1.1 4,-2.6 -6,-0.4 -1,-0.3 0.788 89.2 61.8 -62.1 -26.5 8.0 25.7 -14.6 56 58 A R H <> S+ 0 0 0 -3,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.969 108.4 37.0 -60.9 -56.8 6.1 24.2 -11.6 57 59 A G H > S+ 0 0 0 -4,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.747 118.1 52.8 -69.3 -24.8 6.0 20.6 -12.9 58 60 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.917 109.5 45.5 -78.9 -46.8 9.4 20.9 -14.5 59 61 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.910 114.2 50.0 -61.3 -44.6 11.2 22.1 -11.4 60 62 A N H X S+ 0 0 17 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.917 113.1 46.5 -61.6 -40.7 9.5 19.5 -9.3 61 63 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.918 112.3 48.8 -66.5 -45.3 10.4 16.8 -11.7 62 64 A V H < S+ 0 0 14 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.934 114.9 44.9 -63.3 -44.4 14.0 17.8 -12.1 63 65 A R H < S+ 0 0 93 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.792 119.4 41.9 -66.5 -33.9 14.6 18.0 -8.4 64 66 A S H < S+ 0 0 68 -4,-1.4 2,-1.4 -5,-0.2 -1,-0.2 0.808 94.2 76.6 -87.4 -34.9 12.8 14.8 -7.6 65 67 A L < 0 0 62 -4,-2.4 -1,-0.1 -5,-0.2 76,-0.1 -0.649 360.0 360.0 -87.3 96.2 14.1 12.6 -10.4 66 68 A V 0 0 157 -2,-1.4 -1,-0.1 -3,-0.0 0, 0.0 -0.234 360.0 360.0 27.5 360.0 17.4 12.1 -8.7 67 ! 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 68 76 A P 0 0 85 0, 0.0 3,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 153.9 21.6 12.0 -15.2 69 77 A K - 0 0 126 70,-0.5 2,-0.3 1,-0.2 71,-0.2 0.889 360.0 -32.3 -68.7 -39.0 23.0 12.1 -18.7 70 78 A A - 0 0 2 69,-0.2 71,-2.4 22,-0.1 2,-0.4 -0.964 54.9-116.0-166.9 161.5 20.2 14.3 -20.1 71 79 A V E -gh 94 141C 7 22,-2.2 24,-2.4 -2,-0.3 2,-0.3 -0.909 30.0-167.1-108.0 148.9 16.5 15.0 -19.7 72 80 A V E +gh 95 142C 0 69,-2.2 71,-2.4 -2,-0.4 2,-0.3 -0.954 15.2 149.1-130.8 146.5 14.1 14.3 -22.6 73 81 A T E -g 96 0C 0 22,-1.5 24,-2.6 -2,-0.3 2,-0.3 -0.971 37.0-121.9-158.1 173.5 10.5 15.3 -23.3 74 82 A H E +g 97 0C 4 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.951 40.9 158.4-117.8 149.5 8.0 16.1 -26.0 75 83 A S - 0 0 3 22,-2.6 27,-0.1 -2,-0.3 -2,-0.0 -0.967 53.9-130.4-166.0 147.0 6.3 19.4 -26.0 76 84 A S S S- 0 0 14 -2,-0.3 30,-0.1 22,-0.2 31,-0.1 0.552 84.1 -80.3 -77.3 -4.0 4.4 22.0 -28.0 77 85 A G S > S+ 0 0 0 25,-0.1 4,-2.0 154,-0.1 5,-0.2 -0.054 115.7 73.9 142.7 -40.7 6.8 24.4 -26.4 78 86 A N H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.941 101.9 41.7 -76.9 -48.3 6.0 25.4 -22.9 79 87 A H H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.914 114.6 56.8 -60.6 -40.3 6.9 22.3 -21.0 80 88 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.906 109.3 42.1 -57.9 -45.7 10.0 22.1 -23.2 81 89 A Q H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.890 115.6 49.8 -71.7 -35.2 11.3 25.5 -22.3 82 90 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.919 111.8 47.8 -63.2 -45.8 10.5 25.0 -18.7 83 91 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.897 110.8 53.0 -61.0 -43.5 12.2 21.7 -18.5 84 92 A T H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.938 111.2 45.3 -56.8 -49.1 15.2 23.1 -20.3 85 93 A Y H X S+ 0 0 55 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.941 113.4 49.3 -59.3 -51.6 15.5 25.9 -17.9 86 94 A A H X S+ 0 0 1 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.893 113.9 45.9 -56.0 -41.6 15.0 23.6 -14.9 87 95 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-1.2 0.875 107.3 57.7 -70.0 -39.3 17.6 21.2 -16.2 88 96 A K H ><5S+ 0 0 124 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.861 97.2 62.4 -60.9 -38.5 20.1 24.0 -17.0 89 97 A L H 3<5S+ 0 0 87 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.779 110.4 39.9 -56.7 -28.8 20.0 25.1 -13.4 90 98 A E T <<5S- 0 0 104 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.184 119.6-108.4 -98.7 6.6 21.5 21.7 -12.5 91 99 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.795 71.9 140.9 65.4 33.8 23.8 21.5 -15.4 92 100 A I < - 0 0 25 -5,-2.5 -1,-0.2 -8,-0.1 -2,-0.1 -0.917 50.0-125.5-110.3 128.8 21.9 18.8 -17.2 93 101 A P - 0 0 69 0, 0.0 -22,-2.2 0, 0.0 2,-0.4 -0.373 24.9-146.1 -67.5 153.8 21.5 18.9 -21.0 94 102 A A E -g 71 0C 6 20,-0.3 22,-2.1 -24,-0.2 2,-0.5 -0.964 12.7-163.0-127.1 138.0 17.9 18.7 -22.5 95 103 A Y E -gi 72 116C 73 -24,-2.4 -22,-1.5 -2,-0.4 2,-0.5 -0.987 15.1-166.3-116.5 122.2 16.5 17.2 -25.6 96 104 A I E -gi 73 117C 0 20,-2.5 22,-2.4 -2,-0.5 2,-0.5 -0.943 11.5-153.3-119.1 119.1 13.1 18.5 -26.6 97 105 A V E +gi 74 118C 0 -24,-2.6 -22,-2.6 -2,-0.5 22,-0.2 -0.793 25.0 177.6 -88.3 121.1 10.9 16.8 -29.1 98 106 A V E - i 0 119C 0 20,-1.9 22,-2.1 -2,-0.5 -22,-0.2 -0.983 32.5-109.6-131.7 133.6 8.6 19.5 -30.7 99 107 A P E > - i 0 120C 11 0, 0.0 3,-2.1 0, 0.0 22,-0.2 -0.367 29.1-122.2 -61.7 142.5 6.0 19.2 -33.4 100 108 A Q T 3 S+ 0 0 97 20,-2.4 21,-0.1 1,-0.3 19,-0.1 0.729 109.9 56.0 -56.5 -25.3 7.0 21.0 -36.6 101 109 A T T 3 S+ 0 0 89 19,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.289 78.0 121.3 -96.8 8.6 4.0 23.1 -36.4 102 110 A A S < S- 0 0 9 -3,-2.1 -25,-0.1 1,-0.1 5,-0.1 -0.340 77.8 -79.7 -62.6 153.8 4.6 24.6 -33.0 103 111 A P >> - 0 0 23 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.246 33.1-128.9 -55.8 138.4 4.9 28.3 -32.7 104 112 A D H 3> S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.864 106.9 61.2 -52.3 -40.6 8.2 29.8 -33.7 105 113 A C H 3> S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.845 107.5 44.1 -61.5 -33.4 8.4 31.7 -30.5 106 114 A K H <> S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.883 112.3 51.8 -77.4 -42.1 8.3 28.5 -28.6 107 115 A K H X S+ 0 0 29 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.928 112.6 47.1 -57.0 -48.5 10.8 26.8 -30.9 108 116 A L H X S+ 0 0 111 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.883 109.1 51.9 -63.5 -39.2 13.2 29.7 -30.5 109 117 A A H X S+ 0 0 23 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.893 106.1 54.7 -64.8 -38.0 12.9 30.0 -26.7 110 118 A I H <>S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 -1,-0.2 0.920 111.8 44.7 -60.3 -41.7 13.7 26.3 -26.3 111 119 A Q H ><5S+ 0 0 88 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.904 108.1 57.7 -71.3 -37.3 16.9 26.9 -28.3 112 120 A A H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 102.3 54.8 -59.9 -33.1 17.7 30.0 -26.4 113 121 A Y T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.465 125.5-104.2 -80.5 -3.0 17.7 28.0 -23.1 114 122 A G T < 5 + 0 0 57 -3,-1.5 -20,-0.3 1,-0.2 -3,-0.2 0.604 69.0 146.1 95.4 14.6 20.2 25.7 -24.7 115 123 A A < - 0 0 12 -5,-1.8 2,-0.6 -22,-0.1 -1,-0.2 -0.415 53.3-119.7 -77.3 158.7 18.2 22.6 -25.6 116 124 A S E -i 95 0C 58 -22,-2.1 -20,-2.5 -2,-0.1 2,-0.3 -0.920 35.8-151.5 -88.5 117.6 18.7 20.4 -28.5 117 125 A I E -i 96 0C 34 -2,-0.6 2,-0.4 -22,-0.2 -20,-0.2 -0.730 12.8-169.3 -97.9 140.7 15.4 20.6 -30.3 118 126 A V E -i 97 0C 45 -22,-2.4 -20,-1.9 -2,-0.3 2,-0.2 -0.955 15.3-140.8-134.2 111.3 14.1 17.7 -32.4 119 127 A Y E +i 98 0C 99 -2,-0.4 2,-0.2 -22,-0.2 -22,-0.1 -0.498 24.6 173.5 -78.4 140.2 11.2 18.3 -34.6 120 128 A C E -i 99 0C 8 -22,-2.1 -20,-2.4 -2,-0.2 -19,-0.2 -0.679 38.7 -76.5-126.7 179.5 8.5 15.6 -35.0 121 129 A E - 0 0 109 -2,-0.2 2,-2.0 -22,-0.2 6,-0.2 -0.485 51.6-100.3 -76.3 158.3 5.1 15.4 -36.7 122 130 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.542 85.7 96.0 -83.2 78.6 2.2 17.0 -35.2 123 131 A S S > S- 0 0 36 -2,-2.0 4,-2.1 1,-0.1 5,-0.2 -0.962 77.9-120.1-154.8 156.1 0.5 14.0 -33.5 124 132 A D H > S+ 0 0 51 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.886 115.0 54.2 -59.4 -42.4 0.5 12.4 -30.1 125 133 A E H > S+ 0 0 142 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.911 110.1 45.1 -60.2 -44.1 1.9 9.3 -31.6 126 134 A S H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.901 112.4 51.5 -66.9 -44.6 4.8 11.0 -33.2 127 135 A R H X S+ 0 0 15 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.938 115.1 42.2 -55.1 -51.2 5.6 13.0 -30.1 128 136 A E H X S+ 0 0 80 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.906 116.1 46.7 -65.3 -45.1 5.6 9.9 -28.0 129 137 A N H X S+ 0 0 92 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.894 113.9 47.0 -68.0 -42.4 7.5 7.7 -30.3 130 138 A V H X S+ 0 0 40 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.933 111.3 50.6 -66.9 -41.2 10.2 10.2 -31.1 131 139 A A H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.868 109.2 52.6 -63.2 -34.1 10.7 11.0 -27.5 132 140 A K H X S+ 0 0 129 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.940 111.1 46.8 -65.7 -44.0 11.0 7.4 -26.7 133 141 A R H X S+ 0 0 164 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.914 112.9 48.2 -64.1 -43.9 13.6 6.9 -29.3 134 142 A V H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 6,-0.3 0.873 108.7 55.1 -64.0 -37.2 15.6 10.0 -28.2 135 143 A T H X>S+ 0 0 25 -4,-2.0 5,-1.2 -5,-0.2 4,-0.9 0.924 111.5 44.0 -59.4 -45.2 15.4 8.8 -24.7 136 144 A E H <5S+ 0 0 125 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.929 114.2 49.5 -66.4 -46.7 17.0 5.5 -25.7 137 145 A E H <5S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.822 119.2 36.2 -63.4 -36.7 19.6 7.1 -27.9 138 146 A T H <5S- 0 0 23 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.535 99.0-130.4 -92.5 -9.6 20.7 9.7 -25.3 139 147 A E T <5 + 0 0 133 -4,-0.9 -70,-0.5 -3,-0.4 -69,-0.2 0.834 60.9 148.3 55.9 34.6 20.3 7.4 -22.3 140 148 A G < - 0 0 11 -5,-1.2 2,-0.5 -6,-0.3 -69,-0.2 -0.276 53.4-100.0 -91.2 178.7 18.4 10.3 -20.8 141 149 A I E -h 71 0C 69 -71,-2.4 -69,-2.2 -3,-0.1 2,-0.3 -0.906 31.3-132.2-104.9 125.2 15.5 10.5 -18.4 142 150 A X E -h 72 0C 53 -2,-0.5 2,-0.4 -71,-0.2 -69,-0.2 -0.577 18.8-173.0 -77.2 128.7 12.1 11.1 -19.8 143 151 A V - 0 0 2 -71,-2.4 -69,-0.2 -2,-0.3 -60,-0.1 -0.885 20.2-145.9-121.9 92.5 10.0 13.8 -18.1 144 152 A H - 0 0 21 -2,-0.4 4,-0.4 1,-0.1 7,-0.1 -0.290 11.9-128.3 -64.3 143.5 6.5 13.6 -19.6 145 153 A P S S- 0 0 4 0, 0.0 -1,-0.1 0, 0.0 35,-0.1 0.683 94.4 -1.7 -69.4 -17.3 4.7 16.9 -20.0 146 154 A N S S+ 0 0 6 34,-0.1 91,-0.1 32,-0.1 -2,-0.0 0.540 124.0 57.3-147.8 -12.8 1.5 15.7 -18.3 147 155 A Q S S+ 0 0 20 92,-0.1 3,-0.0 89,-0.1 89,-0.0 0.559 75.1 104.1-106.0 -9.2 1.5 12.1 -17.1 148 156 A E >> - 0 0 49 -4,-0.4 4,-2.5 1,-0.1 3,-0.7 -0.573 69.4-138.0 -74.7 123.8 4.5 12.2 -14.9 149 157 A P H 3> S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.861 101.6 51.6 -52.0 -40.8 3.5 12.2 -11.2 150 158 A A H 3> S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 -89,-0.1 0.837 112.1 48.1 -67.0 -31.7 6.1 14.7 -10.2 151 159 A V H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.947 110.8 49.1 -71.3 -47.0 5.0 17.0 -12.9 152 160 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.914 111.1 51.1 -58.8 -42.8 1.3 16.7 -12.1 153 161 A A H < S+ 0 0 2 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.882 108.4 52.2 -64.9 -37.6 2.0 17.4 -8.5 154 162 A G H >< S+ 0 0 0 -4,-1.5 3,-1.2 1,-0.2 4,-0.3 0.918 108.4 49.8 -60.3 -48.0 3.9 20.5 -9.4 155 163 A Q H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 4,-0.2 0.879 100.8 65.4 -63.0 -33.0 1.1 21.9 -11.5 156 164 A G T >X S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.3 4,-0.8 0.667 80.2 80.5 -62.5 -17.7 -1.4 21.3 -8.7 157 165 A T H <> S+ 0 0 0 -3,-1.2 4,-1.6 -4,-0.4 -1,-0.3 0.736 75.3 75.3 -64.6 -23.3 0.4 23.9 -6.6 158 166 A I H <> S+ 0 0 0 -3,-1.6 4,-2.3 -4,-0.3 -1,-0.3 0.886 93.5 52.1 -50.0 -42.6 -1.5 26.5 -8.5 159 167 A A H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.2 5,-0.2 0.840 101.6 58.7 -70.7 -30.4 -4.6 25.6 -6.5 160 168 A L H X S+ 0 0 31 -4,-0.8 4,-1.0 -3,-0.2 -1,-0.2 0.907 111.0 43.0 -63.5 -39.9 -2.8 25.9 -3.2 161 169 A E H X S+ 0 0 9 -4,-1.6 4,-2.6 2,-0.2 3,-0.3 0.932 112.8 51.3 -69.0 -48.1 -2.1 29.5 -4.1 162 170 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 7,-0.2 0.903 106.9 52.6 -55.8 -46.5 -5.5 30.3 -5.5 163 171 A L H < S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 115.5 42.5 -62.9 -29.6 -7.3 29.0 -2.5 164 172 A N H < S+ 0 0 129 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.848 117.5 45.2 -80.7 -44.8 -5.2 31.3 -0.3 165 173 A Q H < S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.797 123.5 33.8 -68.9 -32.5 -5.3 34.3 -2.6 166 174 A V S >< S+ 0 0 5 -4,-2.6 3,-2.4 -5,-0.2 -1,-0.2 -0.721 71.4 176.0-125.1 75.6 -9.1 34.1 -3.3 167 175 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.768 78.7 51.5 -62.9 -23.1 -10.4 32.8 0.0 168 176 A L T 3 S+ 0 0 128 -3,-0.1 131,-0.3 2,-0.0 -5,-0.1 0.307 79.7 146.5 -94.2 12.0 -14.0 33.1 -1.1 169 177 A V < - 0 0 2 -3,-2.4 131,-0.2 -7,-0.2 3,-0.1 -0.135 26.7-178.0 -55.3 136.8 -13.5 31.2 -4.4 170 178 A D + 0 0 49 129,-3.0 27,-2.5 1,-0.3 2,-0.3 0.589 66.3 6.4-107.7 -22.3 -16.4 29.0 -5.6 171 179 A A E -cd 197 300A 0 128,-1.3 130,-2.5 25,-0.2 2,-0.4 -0.979 54.7-143.7-160.3 149.6 -14.8 27.5 -8.7 172 180 A L E -cd 198 301A 0 25,-2.4 27,-2.7 -2,-0.3 2,-0.5 -0.953 14.4-155.0-112.0 140.6 -11.6 27.2 -10.7 173 181 A V E -cd 199 302A 0 128,-2.4 130,-2.1 -2,-0.4 27,-0.2 -0.983 17.4-178.1-119.2 125.1 -11.6 27.1 -14.4 174 182 A V E -c 200 0A 0 25,-2.4 27,-2.0 -2,-0.5 2,-0.1 -0.981 26.3-125.7-129.4 125.5 -8.6 25.3 -16.0 175 183 A P E -c 201 0A 0 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.490 32.1-145.8 -67.5 141.9 -7.7 24.7 -19.7 176 184 A V + 0 0 0 25,-2.0 33,-0.1 -2,-0.1 60,-0.1 -0.948 40.8 135.7-121.8 128.4 -7.1 21.1 -20.5 177 185 A G S S- 0 0 0 -2,-0.4 55,-0.1 25,-0.1 -1,-0.1 0.300 92.8 -1.8-121.1 -97.5 -4.7 19.4 -22.8 178 186 A G S S- 0 0 0 58,-0.1 59,-0.9 -33,-0.1 62,-0.2 0.644 96.9-119.2 -73.3 -16.1 -3.0 16.4 -21.3 179 187 A G S > S+ 0 0 0 57,-0.2 4,-1.9 -4,-0.1 5,-0.2 0.592 76.2 125.2 90.5 13.6 -4.7 16.9 -18.0 180 188 A G H > S+ 0 0 0 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.941 81.6 35.8 -68.0 -49.6 -1.6 17.4 -15.9 181 189 A X H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.926 118.2 50.9 -69.4 -46.9 -2.7 20.8 -14.6 182 190 A L H > S+ 0 0 0 -7,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 113.2 47.1 -58.7 -43.2 -6.4 19.9 -14.4 183 191 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.931 112.5 47.4 -66.5 -45.4 -5.6 16.7 -12.5 184 192 A G H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.881 114.9 47.0 -63.0 -40.9 -3.2 18.3 -10.0 185 193 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.922 110.6 51.8 -67.0 -43.1 -5.6 21.1 -9.4 186 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.901 109.3 49.9 -60.2 -43.0 -8.5 18.7 -8.9 187 195 A I H X S+ 0 0 14 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.909 115.4 45.1 -58.0 -43.6 -6.6 16.6 -6.4 188 196 A T H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 5,-0.2 0.930 114.4 43.6 -71.2 -51.2 -5.7 19.7 -4.5 189 197 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 7,-0.2 0.914 113.7 51.1 -62.7 -44.4 -9.1 21.5 -4.4 190 198 A K H < S+ 0 0 35 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.746 111.0 50.0 -72.0 -20.5 -11.0 18.3 -3.6 191 199 A A H < S+ 0 0 58 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.873 121.1 31.8 -79.0 -39.2 -8.7 17.6 -0.7 192 200 A L H < S- 0 0 88 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.866 142.0 -5.8 -85.1 -42.5 -8.9 21.0 0.8 193 201 A K >< - 0 0 93 -4,-2.8 3,-2.1 -5,-0.2 -1,-0.2 -0.493 59.3-177.1-159.3 77.4 -12.4 22.2 0.0 194 202 A P T 3 S+ 0 0 80 0, 0.0 -4,-0.1 0, 0.0 4,-0.1 0.576 76.8 75.8 -65.3 -10.7 -14.3 20.0 -2.2 195 203 A S T 3 S+ 0 0 83 -6,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.744 77.6 93.0 -66.3 -22.5 -17.3 22.3 -2.3 196 204 A V S < S- 0 0 1 -3,-2.1 -25,-0.2 -7,-0.2 2,-0.2 -0.610 83.2-125.7 -75.0 130.0 -15.2 24.4 -4.7 197 205 A K E -c 171 0A 72 -27,-2.5 -25,-2.4 -2,-0.3 2,-0.5 -0.502 14.8-154.8 -79.2 145.2 -16.0 23.4 -8.3 198 206 A V E -c 172 0A 0 49,-0.2 51,-2.0 -27,-0.2 52,-0.8 -0.970 19.0-177.6-119.8 113.6 -13.2 22.4 -10.7 199 207 A Y E -ce 173 250A 15 -27,-2.7 -25,-2.4 -2,-0.5 2,-0.3 -0.927 15.7-144.5-115.1 135.7 -14.2 23.0 -14.3 200 208 A A E -ce 174 251A 0 50,-2.3 52,-2.5 -2,-0.4 2,-0.4 -0.704 6.4-154.5 -92.7 150.4 -12.2 22.2 -17.4 201 209 A A E +ce 175 252A 0 -27,-2.0 -25,-2.0 -2,-0.3 52,-0.2 -0.998 21.0 172.7-123.9 131.1 -12.2 24.3 -20.5 202 210 A E E - e 0 253A 2 50,-2.5 52,-2.0 -2,-0.4 2,-0.2 -0.985 35.0-107.6-144.6 141.2 -11.4 22.7 -23.8 203 211 A P E > - 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