==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-FEB-07 2JFU . COMPND 2 MOLECULE: GLUTAMATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR T.LUNDQVIST . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 15.5 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 . 18 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 3 1 1 1 2 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 4 2 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 . 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 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 1 A M 0 0 211 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.3 25.6 33.0 -16.4 2 2 A I - 0 0 126 2,-0.0 2,-0.6 225,-0.0 0, 0.0 -0.748 360.0-157.3 -89.6 118.7 22.0 33.9 -17.1 3 3 A R - 0 0 136 -2,-0.6 2,-0.3 225,-0.0 221,-0.0 -0.844 14.5-148.6 -96.3 123.2 20.9 37.4 -16.1 4 4 A L - 0 0 99 -2,-0.6 2,-0.7 223,-0.1 225,-0.2 -0.710 7.9-139.5 -97.1 142.7 17.1 37.6 -15.6 5 5 A T + 0 0 90 -2,-0.3 2,-0.5 223,-0.1 225,-0.2 -0.889 25.7 178.0 -98.1 115.8 14.9 40.7 -16.2 6 6 A D + 0 0 25 223,-2.4 65,-0.1 -2,-0.7 -2,-0.0 -0.937 13.7 179.7-122.9 106.2 12.4 40.8 -13.4 7 7 A N + 0 0 90 -2,-0.5 230,-0.2 223,-0.1 223,-0.1 0.340 41.8 124.3 -88.9 8.4 10.0 43.8 -13.6 8 8 A R - 0 0 102 1,-0.1 26,-0.4 221,-0.1 62,-0.1 -0.372 67.1-105.9 -64.1 148.0 8.1 42.8 -10.5 9 9 A P - 0 0 12 0, 0.0 62,-2.3 0, 0.0 63,-0.6 -0.279 18.5-121.1 -75.8 161.1 8.1 45.6 -7.9 10 10 A I E -ab 35 72A 0 24,-2.6 26,-2.0 60,-0.2 2,-0.3 -0.868 34.1-137.0 -97.0 134.7 10.1 45.8 -4.7 11 11 A G E -ab 36 73A 0 61,-3.2 63,-2.5 -2,-0.5 2,-0.4 -0.717 18.2-169.3 -99.7 148.0 7.7 46.1 -1.7 12 12 A F E -ab 37 74A 1 24,-2.0 26,-2.3 -2,-0.3 2,-0.4 -1.000 5.5-169.7-132.2 131.7 8.1 48.4 1.3 13 13 A I E +ab 38 75A 0 61,-2.2 63,-2.3 -2,-0.4 64,-0.5 -0.949 10.8 163.8-125.5 147.8 5.9 48.2 4.4 14 14 A D E -a 39 0A 5 24,-1.8 26,-2.6 -2,-0.4 27,-0.1 -0.988 42.6-132.3-156.9 149.8 5.6 50.5 7.4 15 15 A S S S+ 0 0 13 -2,-0.3 28,-0.3 24,-0.2 29,-0.3 0.829 96.3 3.2 -73.9 -29.3 3.2 51.2 10.2 16 16 A G S S- 0 0 4 23,-0.1 25,-0.1 22,-0.1 3,-0.1 -0.280 95.3 -74.0-129.5-146.1 3.3 54.9 9.3 17 17 A V S > S+ 0 0 7 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 0.494 96.6 92.6-101.5 -7.5 4.8 57.4 6.8 18 18 A G T > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.886 74.8 69.0 -54.2 -41.0 8.4 57.4 7.9 19 19 A G T >> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 3,-1.0 0.593 75.4 86.3 -55.8 -11.3 9.3 54.7 5.4 20 20 A L H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.3 -1,-0.3 0.784 82.5 59.1 -62.5 -25.2 8.7 57.2 2.6 21 21 A T H <> S+ 0 0 5 -3,-2.3 4,-1.5 2,-0.2 -1,-0.3 0.783 102.7 52.3 -74.1 -24.6 12.3 58.3 3.1 22 22 A V H <> S+ 0 0 0 -3,-1.0 4,-1.8 -4,-0.3 -2,-0.2 0.897 110.2 48.2 -74.3 -39.7 13.4 54.8 2.3 23 23 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.903 106.7 57.4 -63.7 -40.9 11.3 54.9 -0.8 24 24 A K H X S+ 0 0 86 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.899 108.7 45.9 -56.7 -41.1 12.9 58.3 -1.7 25 25 A E H X S+ 0 0 30 -4,-1.5 4,-3.2 1,-0.2 5,-0.3 0.832 109.8 54.4 -71.3 -33.1 16.3 56.6 -1.5 26 26 A A H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 7,-0.2 0.901 104.6 54.0 -67.6 -39.8 15.1 53.7 -3.6 27 27 A L H < S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 117.3 38.1 -61.6 -34.9 13.9 56.1 -6.4 28 28 A K H < S+ 0 0 147 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.912 123.6 36.8 -82.6 -47.2 17.4 57.6 -6.5 29 29 A Q H < S+ 0 0 72 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.781 127.1 35.6 -78.1 -28.6 19.6 54.6 -6.0 30 30 A L >< + 0 0 15 -4,-2.5 3,-1.9 -5,-0.3 -1,-0.2 -0.560 67.0 167.3-126.3 67.4 17.5 52.1 -8.0 31 31 A P T 3 S+ 0 0 73 0, 0.0 205,-0.8 0, 0.0 -1,-0.1 0.661 75.9 50.6 -55.0 -21.5 16.0 54.2 -10.9 32 32 A N T 3 S+ 0 0 54 203,-0.2 2,-0.3 198,-0.1 205,-0.2 0.420 88.3 101.9-101.0 2.8 14.8 51.2 -12.9 33 33 A E < - 0 0 8 -3,-1.9 2,-0.2 -7,-0.2 203,-0.1 -0.694 66.4-130.9 -95.2 138.2 13.0 49.4 -10.1 34 34 A N - 0 0 3 -26,-0.4 -24,-2.6 -2,-0.3 2,-0.4 -0.533 27.1-148.8 -80.7 151.6 9.2 49.4 -9.6 35 35 A I E -ac 10 239A 2 203,-2.6 205,-2.2 -26,-0.3 2,-0.4 -0.974 21.9-179.5-132.8 138.3 7.9 50.2 -6.2 36 36 A L E -ac 11 240A 4 -26,-2.0 -24,-2.0 -2,-0.4 2,-0.4 -0.997 14.4-175.9-130.5 134.0 4.9 49.3 -4.0 37 37 A F E -ac 12 241A 0 203,-1.9 205,-2.8 -2,-0.4 2,-0.4 -0.998 9.9-165.9-135.8 135.7 4.5 50.8 -0.5 38 38 A V E -ac 13 242A 0 -26,-2.3 -24,-1.8 -2,-0.4 2,-0.5 -0.986 0.6-169.8-121.9 130.3 2.0 50.2 2.2 39 39 A G E -ac 14 243A 0 203,-2.4 2,-1.7 -2,-0.4 205,-1.7 -0.965 12.2-155.4-119.5 111.9 1.5 52.5 5.2 40 40 A D > + 0 0 1 -26,-2.6 3,-2.5 -2,-0.5 4,-0.4 -0.276 35.7 152.6 -82.0 53.4 -0.7 51.0 7.9 41 41 A T T 3 + 0 0 43 -2,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.679 60.9 70.9 -59.2 -18.6 -1.6 54.5 9.2 42 42 A A T 3 S+ 0 0 63 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.673 113.9 27.0 -71.4 -16.3 -4.9 53.3 10.5 43 43 A R S < S+ 0 0 37 -3,-2.5 -1,-0.2 -28,-0.3 -2,-0.2 0.225 95.5 166.1-129.9 13.4 -3.0 51.3 13.2 44 44 A C + 0 0 51 -3,-0.4 2,-0.1 -4,-0.4 -28,-0.1 -0.526 45.7 49.0 -74.4 141.1 0.2 53.4 13.6 45 45 A P + 0 0 79 0, 0.0 4,-0.1 0, 0.0 -4,-0.0 0.586 52.2 178.6 -91.9 164.2 2.2 53.2 15.8 46 46 A Y > + 0 0 1 1,-0.1 3,-1.8 2,-0.1 8,-0.1 0.727 63.3 88.3 -92.3 -28.7 3.2 49.6 16.4 47 47 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.1 7,-0.0 7,-0.1 0.830 88.6 43.7 -37.3 -59.5 5.7 50.2 19.2 48 48 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.599 96.4 100.9 -67.9 -12.8 3.3 50.1 22.2 49 49 A R S < S- 0 0 72 -3,-1.8 -3,-0.0 1,-0.1 2,-0.0 -0.373 83.5 -98.3 -78.3 152.9 1.5 47.0 20.9 50 50 A P >> - 0 0 67 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.370 36.8-111.6 -65.6 147.4 2.1 43.4 22.1 51 51 A A H 3> S+ 0 0 42 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.837 116.9 62.5 -48.3 -37.9 4.4 41.4 19.8 52 52 A E H 3> S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.892 107.2 42.1 -57.4 -42.9 1.4 39.3 18.8 53 53 A Q H <> S+ 0 0 64 -3,-1.1 4,-3.1 2,-0.2 5,-0.3 0.918 112.5 53.0 -70.9 -44.9 -0.4 42.3 17.3 54 54 A V H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.924 111.7 46.5 -55.9 -46.9 2.7 43.7 15.6 55 55 A I H X S+ 0 0 35 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.919 112.8 49.8 -62.9 -44.2 3.4 40.4 14.0 56 56 A Q H X S+ 0 0 96 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.947 114.6 43.3 -59.9 -50.4 -0.2 40.0 12.9 57 57 A Y H X S+ 0 0 25 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.894 113.0 51.1 -64.9 -41.2 -0.4 43.5 11.4 58 58 A T H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.899 109.6 51.9 -63.9 -37.8 3.0 43.2 9.7 59 59 A W H X S+ 0 0 48 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.866 106.0 54.7 -65.3 -36.6 1.9 39.9 8.2 60 60 A E H X S+ 0 0 35 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.924 110.9 44.0 -64.4 -42.2 -1.3 41.6 6.8 61 61 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.909 115.2 50.1 -67.0 -41.6 0.8 44.2 5.0 62 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.949 110.1 48.6 -60.3 -51.9 3.2 41.6 3.8 63 63 A D H X S+ 0 0 79 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.873 109.1 55.2 -57.3 -39.2 0.5 39.3 2.4 64 64 A Y H X S+ 0 0 45 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.934 113.0 39.7 -61.7 -47.4 -1.1 42.3 0.7 65 65 A L H <>S+ 0 0 0 -4,-2.0 5,-1.7 2,-0.2 3,-0.4 0.871 111.8 56.0 -72.1 -36.9 2.1 43.2 -1.2 66 66 A V H ><5S+ 0 0 59 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.931 108.6 49.4 -59.4 -41.6 3.0 39.6 -1.9 67 67 A E H 3<5S+ 0 0 152 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.730 104.8 58.5 -68.9 -21.6 -0.4 39.2 -3.6 68 68 A Q T 3<5S- 0 0 83 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.424 126.7-101.2 -85.6 -0.7 0.3 42.4 -5.5 69 69 A G T < 5 + 0 0 27 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.682 57.3 168.9 94.7 21.6 3.3 40.6 -7.0 70 70 A I < - 0 0 5 -5,-1.7 -60,-0.2 -62,-0.1 -1,-0.2 -0.318 23.0-161.9 -68.9 151.9 6.4 41.9 -5.1 71 71 A K S S+ 0 0 1 -62,-2.3 2,-0.3 1,-0.3 -61,-0.2 0.490 76.8 20.7-107.1 -9.5 9.8 40.1 -5.6 72 72 A M E S-b 10 0A 1 -63,-0.6 -61,-3.2 22,-0.2 2,-0.4 -0.972 71.0-140.9-158.5 146.3 11.5 41.4 -2.5 73 73 A L E -bd 11 96A 0 22,-2.8 24,-2.4 -2,-0.3 2,-0.5 -0.950 7.6-167.6-123.0 134.2 10.3 43.0 0.7 74 74 A V E -bd 12 97A 0 -63,-2.5 -61,-2.2 -2,-0.4 2,-1.0 -0.975 12.4-153.0-116.5 120.4 11.7 45.9 2.8 75 75 A I E -b 13 0A 0 22,-2.7 24,-0.5 -2,-0.5 -61,-0.2 -0.858 16.7-173.1 -93.6 104.9 10.3 46.3 6.3 76 76 A A + 0 0 0 -63,-2.3 2,-0.3 -2,-1.0 -62,-0.2 0.554 51.1 74.9 -81.0 -12.2 10.9 50.0 6.7 77 77 A C S > S- 0 0 12 -64,-0.5 4,-1.9 1,-0.1 22,-0.2 -0.800 74.3-128.7-108.6 151.2 9.9 50.6 10.4 78 78 A N H > S+ 0 0 23 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.871 102.6 50.4 -59.9 -45.8 11.9 49.8 13.5 79 79 A T H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.942 112.9 45.5 -63.1 -47.3 9.2 47.9 15.5 80 80 A A H >>S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-1.8 0.886 113.7 51.7 -63.0 -37.8 8.3 45.5 12.7 81 81 A T H <5S+ 0 0 18 -4,-1.9 5,-0.4 3,-0.2 4,-0.3 0.938 115.8 39.7 -63.6 -46.9 12.0 44.9 11.9 82 82 A A H <5S+ 0 0 69 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.848 129.3 28.7 -72.5 -34.3 12.8 44.1 15.6 83 83 A V H <5S+ 0 0 57 -4,-2.8 4,-0.2 -5,-0.2 -3,-0.2 0.879 132.0 18.1 -97.0 -43.6 9.7 42.1 16.2 84 84 A A T X5S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.4 3,-0.3 0.649 95.3 88.4-108.3 -17.0 8.3 40.4 13.0 85 85 A L H > S+ 0 0 134 -5,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.903 112.2 46.1 -58.1 -42.5 12.7 37.1 11.5 87 87 A E H > S+ 0 0 95 -3,-0.3 4,-1.4 -4,-0.2 -1,-0.2 0.917 116.7 44.0 -66.1 -44.4 9.4 35.2 11.3 88 88 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.922 112.7 51.6 -66.8 -44.7 8.4 36.7 8.0 89 89 A K H < S+ 0 0 105 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.882 110.6 49.5 -60.2 -38.8 11.9 36.2 6.5 90 90 A A H < S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.812 115.3 43.2 -71.6 -30.0 11.9 32.6 7.5 91 91 A A H < S+ 0 0 66 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.824 102.4 73.4 -86.4 -34.0 8.4 31.9 6.0 92 92 A L < - 0 0 36 -4,-2.6 4,-0.1 -5,-0.1 0, 0.0 -0.412 64.7-147.6 -82.8 158.7 8.7 33.8 2.7 93 93 A S S S+ 0 0 131 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.599 78.7 82.6 -96.3 -15.1 10.7 32.7 -0.4 94 94 A I S S- 0 0 32 1,-0.1 -22,-0.2 -24,-0.0 -2,-0.1 -0.541 95.3 -92.4 -88.0 154.9 11.4 36.3 -1.4 95 95 A P - 0 0 19 0, 0.0 -22,-2.8 0, 0.0 2,-0.4 -0.378 40.9-163.3 -65.5 145.5 14.3 38.2 0.2 96 96 A V E -d 73 0A 6 -24,-0.2 2,-0.4 -4,-0.1 -22,-0.2 -0.998 8.0-177.5-134.1 128.7 13.3 40.3 3.2 97 97 A I E -d 74 0A 7 -24,-2.4 -22,-2.7 -2,-0.4 2,-0.2 -0.970 8.5-154.1-131.1 146.4 15.5 43.1 4.6 98 98 A G - 0 0 7 -2,-0.4 -22,-0.1 -24,-0.2 -20,-0.1 -0.472 24.0-115.5-107.8-178.8 15.1 45.5 7.6 99 99 A V S S+ 0 0 1 -24,-0.5 -21,-0.1 -22,-0.2 116,-0.1 -0.097 94.8 61.3-112.5 34.2 16.3 48.9 8.6 100 100 A I S > S+ 0 0 16 3,-0.1 4,-2.1 -19,-0.1 5,-0.2 0.680 97.1 47.1-120.1 -53.6 18.6 48.4 11.5 101 101 A L H > S+ 0 0 89 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.890 108.0 55.7 -61.2 -42.7 21.6 46.2 10.5 102 102 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.936 112.2 43.2 -56.8 -44.6 22.4 48.0 7.3 103 103 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.886 114.0 51.5 -66.7 -38.1 22.7 51.3 9.2 104 104 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.936 108.9 50.5 -63.1 -47.6 24.7 49.6 12.0 105 105 A R H X S+ 0 0 92 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.918 111.6 48.6 -56.4 -46.5 27.1 48.0 9.5 106 106 A A H X S+ 0 0 10 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.881 109.3 52.0 -63.6 -39.8 27.7 51.4 7.9 107 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.919 108.4 50.9 -63.2 -44.6 28.3 53.2 11.2 108 108 A V H < S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 111.6 49.1 -60.7 -38.2 30.9 50.6 12.2 109 109 A K H < S+ 0 0 164 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.808 115.0 42.8 -72.7 -30.9 32.7 51.1 8.9 110 110 A K H < S+ 0 0 96 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.751 87.5 98.5 -90.2 -25.5 32.7 54.9 9.0 111 111 A T < + 0 0 16 -4,-2.1 5,-0.1 -5,-0.2 72,-0.0 -0.368 39.1 176.0 -67.2 142.2 33.7 55.6 12.7 112 112 A Q S S+ 0 0 157 3,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.713 81.5 36.5-113.0 -38.8 37.4 56.4 13.3 113 113 A N S S- 0 0 64 2,-0.2 3,-0.1 67,-0.1 -2,-0.1 0.304 104.1-121.6 -99.4 8.4 37.5 57.3 17.0 114 114 A K S S+ 0 0 91 1,-0.2 28,-2.6 27,-0.1 2,-0.9 0.614 71.4 131.3 62.4 15.0 34.9 54.7 17.9 115 115 A Q E +f 142 0B 51 65,-0.2 67,-2.0 26,-0.2 68,-1.0 -0.851 34.9 175.7 -99.4 101.1 32.6 57.3 19.4 116 116 A V E -fg 143 183B 0 26,-1.9 28,-2.2 -2,-0.9 2,-0.3 -0.890 13.4-167.3-114.6 139.0 29.2 56.5 17.8 117 117 A G E -fg 144 184B 0 66,-3.1 68,-3.1 -2,-0.4 2,-0.3 -0.822 3.2-166.5-119.5 159.1 25.8 58.1 18.5 118 118 A I E -fg 145 185B 2 26,-2.0 28,-2.6 -2,-0.3 2,-0.4 -0.983 3.2-167.3-145.9 131.5 22.3 57.2 17.5 119 119 A I E +fg 146 186B 0 66,-2.4 68,-2.3 -2,-0.3 2,-0.3 -0.921 28.8 115.4-119.1 147.9 19.2 59.3 17.7 120 120 A G E -f 147 0B 0 26,-1.4 28,-2.4 -2,-0.4 68,-0.2 -0.961 62.7 -35.2-180.0-167.4 15.6 58.1 17.4 121 121 A T > - 0 0 46 66,-0.3 4,-2.7 -2,-0.3 5,-0.2 -0.286 58.0-110.7 -70.3 159.8 12.3 57.7 19.1 122 122 A I H > S+ 0 0 108 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.853 120.0 57.1 -61.2 -31.6 12.3 56.9 22.8 123 123 A G H > S+ 0 0 49 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.933 109.7 42.7 -64.1 -46.1 10.9 53.5 21.9 124 124 A T H >>S+ 0 0 13 2,-0.2 5,-0.7 1,-0.2 4,-0.7 0.928 116.8 47.6 -65.7 -45.5 13.8 52.7 19.6 125 125 A V H ><5S+ 0 0 16 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.933 112.4 47.7 -62.9 -47.4 16.4 54.1 22.1 126 126 A K H 3<5S+ 0 0 150 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.793 104.1 61.5 -66.0 -27.7 15.0 52.2 25.1 127 127 A S H 3<5S- 0 0 60 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.731 95.3-145.8 -69.7 -21.1 14.9 49.0 23.1 128 128 A Q T S+ 0 0 3 -6,-0.3 4,-2.9 2,-0.2 5,-0.2 0.928 114.5 52.1 -70.7 -45.5 21.1 49.9 17.8 131 131 A E H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.935 113.7 45.1 -56.7 -46.3 23.4 49.8 20.8 132 132 A K H X S+ 0 0 120 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.915 113.1 49.1 -64.5 -43.9 23.3 46.0 20.9 133 133 A A H X S+ 0 0 8 -4,-2.0 4,-0.7 -5,-0.3 -1,-0.2 0.905 113.1 48.7 -62.9 -41.0 23.8 45.6 17.2 134 134 A L H >X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 3,-0.9 0.943 113.3 44.7 -64.5 -49.4 26.7 48.0 17.2 135 135 A K H 3< S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.751 103.9 63.1 -69.4 -24.0 28.5 46.3 20.2 136 136 A E H 3< S+ 0 0 165 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.752 114.2 36.7 -69.8 -22.3 27.9 42.8 18.8 137 137 A K H << S+ 0 0 96 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.854 138.7 10.4 -93.5 -46.6 30.1 44.0 15.9 138 138 A V >< - 0 0 28 -4,-2.7 3,-1.6 -5,-0.1 -1,-0.2 -0.819 62.2-174.0-138.6 94.3 32.6 46.1 17.8 139 139 A P T 3 S+ 0 0 92 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.743 80.9 66.6 -60.8 -24.5 32.5 45.9 21.6 140 140 A E T 3 S+ 0 0 106 2,-0.1 -5,-0.1 -5,-0.1 2,-0.0 0.584 76.4 115.1 -75.2 -9.1 35.0 48.6 22.1 141 141 A L < - 0 0 7 -3,-1.6 2,-0.8 -7,-0.1 -26,-0.2 -0.322 63.3-140.6 -62.9 141.7 32.6 51.2 20.7 142 142 A T E -f 115 0B 70 -28,-2.6 -26,-1.9 2,-0.0 2,-0.5 -0.926 26.8-164.5-103.2 109.1 31.4 53.9 23.0 143 143 A V E -f 116 0B 19 -2,-0.8 2,-0.5 -28,-0.2 -26,-0.2 -0.859 14.2-169.0-105.5 129.0 27.7 54.3 22.1 144 144 A T E -f 117 0B 34 -28,-2.2 -26,-2.0 -2,-0.5 2,-0.5 -0.966 8.0-166.5-114.4 119.2 25.6 57.2 23.1 145 145 A S E -f 118 0B 38 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.925 6.2-175.8-110.3 130.0 21.8 56.8 22.4 146 146 A L E -f 119 0B 40 -28,-2.6 -26,-1.4 -2,-0.5 2,-0.2 -0.974 18.5-140.7-132.1 122.3 19.5 59.8 22.6 147 147 A A E -f 120 0B 22 -2,-0.4 -26,-0.2 -28,-0.2 -25,-0.1 -0.541 8.0-162.2 -76.8 141.4 15.7 59.9 22.2 148 148 A C > - 0 0 1 -28,-2.4 3,-1.8 -2,-0.2 4,-0.5 -0.601 9.9-175.6-126.1 69.4 14.4 62.9 20.2 149 149 A P T 3 S+ 0 0 99 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.658 75.9 38.3 -34.0 -44.7 10.7 63.0 21.3 150 150 A K T 3> S+ 0 0 135 1,-0.2 4,-1.9 2,-0.1 5,-0.2 0.509 87.0 91.6 -97.5 -3.7 9.4 65.8 19.1 151 151 A F H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.920 86.3 52.8 -56.3 -46.6 11.3 65.2 15.8 152 152 A V H > S+ 0 0 33 -4,-0.5 4,-3.2 1,-0.2 5,-0.3 0.927 108.4 48.5 -56.2 -48.5 8.6 63.0 14.3 153 153 A S H > S+ 0 0 59 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.892 110.1 53.0 -60.5 -39.9 5.8 65.5 14.9 154 154 A V H <>S+ 0 0 10 -4,-1.9 5,-2.5 2,-0.2 -1,-0.2 0.908 115.1 40.8 -61.5 -43.1 7.9 68.3 13.4 155 155 A V H ><5S+ 0 0 0 -4,-2.2 3,-2.1 3,-0.2 5,-0.3 0.931 113.5 50.8 -72.1 -47.8 8.5 66.3 10.2 156 156 A E H 3<5S+ 0 0 74 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.740 107.9 55.1 -63.5 -22.6 5.0 64.8 9.9 157 157 A S T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.342 114.8-120.8 -90.3 6.2 3.6 68.3 10.2 158 158 A N T < 5S+ 0 0 48 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.909 80.9 120.3 52.9 47.8 5.8 69.3 7.3 159 159 A E > < + 0 0 102 -5,-2.5 3,-1.3 -6,-0.1 6,-0.4 0.004 24.3 121.5-124.9 24.0 7.6 71.9 9.4 160 160 A Y T 3 S+ 0 0 22 -5,-0.3 37,-0.2 1,-0.2 -5,-0.1 0.410 77.4 46.4 -71.6 2.4 11.1 70.4 9.1 161 161 A H T 3 S+ 0 0 136 -3,-0.1 -1,-0.2 35,-0.1 -2,-0.1 0.383 94.3 103.7-120.4 -3.0 12.5 73.7 7.6 162 162 A S S <> S- 0 0 24 -3,-1.3 4,-1.7 -8,-0.1 5,-0.1 -0.108 84.3-109.2 -77.2 174.3 10.9 76.1 10.1 163 163 A S H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.794 119.6 60.9 -72.7 -30.0 12.4 78.0 13.1 164 164 A V H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 105.3 48.5 -63.5 -37.6 10.5 75.6 15.4 165 165 A A H > S+ 0 0 0 -6,-0.4 4,-2.5 2,-0.2 5,-0.3 0.920 109.0 51.7 -68.5 -45.0 12.4 72.8 13.9 166 166 A K H X S+ 0 0 129 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.860 113.1 45.5 -61.0 -36.9 15.8 74.5 14.3 167 167 A K H X S+ 0 0 127 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.924 113.0 48.5 -72.9 -46.1 15.1 75.2 17.9 168 168 A I H X S+ 0 0 28 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.894 115.9 43.8 -62.0 -41.1 13.8 71.7 18.8 169 169 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.929 114.1 49.7 -71.0 -44.5 16.8 70.0 17.1 170 170 A A H X S+ 0 0 42 -4,-1.9 4,-0.8 -5,-0.3 -2,-0.2 0.932 116.2 41.2 -59.7 -48.3 19.3 72.4 18.5 171 171 A E H < S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.865 115.8 49.7 -69.6 -38.1 18.1 72.0 22.1 172 172 A T H < S+ 0 0 38 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.906 115.7 40.9 -68.7 -42.1 17.5 68.3 21.9 173 173 A L H >X S+ 0 0 0 -4,-2.4 3,-1.8 -5,-0.2 4,-0.6 0.521 85.0 102.9 -85.6 -5.6 20.9 67.4 20.5 174 174 A A G >< S+ 0 0 46 -4,-0.8 3,-2.0 1,-0.3 4,-0.3 0.895 80.7 47.6 -42.9 -59.3 22.9 69.8 22.7 175 175 A P G >4 S+ 0 0 75 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.673 104.9 63.4 -60.6 -15.0 24.2 67.2 25.1 176 176 A L G X4 S+ 0 0 4 -3,-1.8 3,-0.7 1,-0.2 5,-0.4 0.608 88.8 69.1 -84.8 -12.3 25.3 65.1 22.2 177 177 A T G << S+ 0 0 71 -3,-2.0 3,-0.3 -4,-0.6 -1,-0.2 0.533 92.5 58.0 -84.1 -6.6 27.8 67.7 20.9 178 178 A T G < S+ 0 0 112 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 -0.044 84.2 80.2-113.8 31.7 30.2 67.2 23.8 179 179 A K S < S- 0 0 106 -3,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.329 97.4-119.1-116.1 2.9 30.9 63.5 23.4 180 180 A K + 0 0 177 -3,-0.3 -65,-0.2 1,-0.2 2,-0.2 0.765 50.9 173.4 62.2 25.8 33.5 63.7 20.6 181 181 A I + 0 0 11 -5,-0.4 -1,-0.2 1,-0.1 -65,-0.2 -0.460 19.4 179.5 -66.8 131.1 31.1 61.6 18.5 182 182 A D + 0 0 27 -67,-2.0 25,-2.5 1,-0.2 2,-0.4 0.446 69.0 44.9-111.3 -3.7 32.3 61.3 14.9 183 183 A T E -gh 116 207B 0 -68,-1.0 -66,-3.1 23,-0.2 2,-0.5 -0.971 63.2-173.4-144.5 123.9 29.5 59.1 13.6 184 184 A L E -gh 117 208B 0 23,-2.7 25,-2.8 -2,-0.4 2,-0.4 -0.966 14.2-146.1-125.1 121.0 25.7 59.6 14.2 185 185 A I E -gh 118 209B 0 -68,-3.1 -66,-2.4 -2,-0.5 2,-1.5 -0.699 11.3-140.5 -86.6 128.0 23.1 57.2 13.1 186 186 A L E -gh 119 210B 3 23,-3.1 25,-0.9 -2,-0.4 26,-0.3 -0.741 26.5-177.2 -84.8 92.4 19.7 58.7 12.1 187 187 A G + 0 0 1 -68,-2.3 2,-0.4 -2,-1.5 -66,-0.3 0.116 57.7 65.6 -83.8 20.3 17.7 55.9 13.8 188 188 A C S > S- 0 0 12 -68,-0.2 3,-1.6 -69,-0.1 23,-0.1 -0.986 76.5-137.0-141.0 128.0 14.3 57.0 12.8 189 189 A T T 3 S+ 0 0 18 -2,-0.4 -168,-0.2 1,-0.3 4,-0.2 0.640 102.6 63.6 -62.0 -14.1 13.1 57.1 9.1 190 190 A H T > S+ 0 0 17 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.775 86.2 76.7 -77.9 -26.8 11.6 60.5 9.7 191 191 A Y G X + 0 0 0 -3,-1.6 3,-2.3 1,-0.2 4,-0.4 0.702 69.7 76.8 -61.8 -26.7 14.9 62.1 10.4 192 192 A P G > S+ 0 0 26 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.834 89.7 62.7 -55.5 -27.1 16.4 62.5 6.9 193 193 A L G < S+ 0 0 17 -3,-1.3 -2,-0.2 1,-0.3 4,-0.1 0.732 106.8 43.6 -68.1 -20.6 14.0 65.4 6.5 194 194 A L G <> S+ 0 0 1 -3,-2.3 4,-2.6 -4,-0.2 3,-0.4 0.329 81.3 113.5-103.7 4.9 15.9 67.2 9.3 195 195 A R H <> S+ 0 0 91 -3,-1.2 4,-3.1 -4,-0.4 5,-0.2 0.845 72.3 52.2 -47.1 -48.6 19.3 66.2 8.1 196 196 A P H > S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.934 114.3 43.4 -57.0 -45.4 20.6 69.7 7.2 197 197 A I H > S+ 0 0 20 -3,-0.4 4,-2.3 -37,-0.2 -2,-0.2 0.915 115.1 49.1 -65.2 -44.1 19.6 71.1 10.6 198 198 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.899 111.0 50.5 -62.2 -41.3 21.1 68.0 12.4 199 199 A Q H X S+ 0 0 36 -4,-3.1 4,-2.7 -5,-0.3 -2,-0.2 0.922 110.2 49.7 -63.9 -44.3 24.3 68.3 10.4 200 200 A N H < S+ 0 0 135 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.914 113.4 46.3 -60.7 -44.7 24.6 72.0 11.3 201 201 A V H < S+ 0 0 36 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.916 117.6 41.4 -65.5 -45.1 24.1 71.3 15.0 202 202 A M H < S- 0 0 20 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.825 113.1-122.6 -73.7 -32.8 26.5 68.4 15.1 203 203 A G >< - 0 0 25 -4,-2.7 3,-1.9 -5,-0.2 -1,-0.1 -0.088 24.0 -77.1 105.7 154.4 29.1 70.0 13.0 204 204 A E T 3 S+ 0 0 154 1,-0.3 -1,-0.1 -4,-0.1 -4,-0.1 0.663 122.3 66.3 -61.1 -19.2 31.0 69.2 9.7 205 205 A N T 3 S+ 0 0 149 -3,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.436 84.7 87.1 -84.5 1.3 33.2 66.7 11.5 206 206 A V < - 0 0 9 -3,-1.9 2,-0.6 -7,-0.2 -23,-0.2 -0.898 69.5-146.7-106.9 121.4 30.3 64.4 12.3 207 207 A Q E -h 183 0B 88 -25,-2.5 -23,-2.7 -2,-0.6 2,-0.4 -0.750 14.2-146.9 -87.4 122.3 29.3 61.8 9.7 208 208 A L E -h 184 0B 3 -2,-0.6 2,-0.6 -25,-0.2 -23,-0.2 -0.720 4.1-150.5 -91.0 138.1 25.6 61.1 9.6 209 209 A I E -h 185 0B 0 -25,-2.8 -23,-3.1 -2,-0.4 2,-0.9 -0.946 1.7-153.9-111.8 118.1 24.4 57.6 8.7 210 210 A D E > -h 186 0B 14 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 -0.810 6.2-161.8 -91.1 103.1 21.0 57.4 7.0 211 211 A S H > S+ 0 0 6 -2,-0.9 4,-1.8 -25,-0.9 -1,-0.2 0.895 89.0 49.8 -54.7 -43.6 19.8 53.9 8.0 212 212 A G H > S+ 0 0 2 -26,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.885 108.2 53.0 -63.8 -38.8 17.2 53.8 5.2 213 213 A A H > S+ 0 0 15 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.889 109.7 48.8 -63.6 -38.5 19.7 54.8 2.6 214 214 A E H X S+ 0 0 62 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.840 107.2 55.7 -70.3 -32.8 22.0 52.0 3.7 215 215 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.925 106.8 49.5 -64.8 -43.1 19.1 49.5 3.6 216 216 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.852 105.7 58.8 -64.2 -31.8 18.6 50.5 -0.1 217 217 A G H X S+ 0 0 30 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.910 106.8 46.5 -63.0 -39.9 22.3 50.0 -0.6 218 218 A E H X S+ 0 0 43 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.903 107.5 57.0 -68.2 -40.9 21.9 46.4 0.5 219 219 A V H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.908 102.0 56.8 -55.4 -43.2 18.8 46.0 -1.7 220 220 A S H X S+ 0 0 50 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.915 111.1 42.5 -55.8 -44.5 21.0 47.0 -4.7 221 221 A M H X S+ 0 0 105 -4,-1.3 4,-2.7 1,-0.2 3,-0.3 0.904 111.8 54.3 -69.9 -40.3 23.4 44.2 -3.9 222 222 A L H X S+ 0 0 24 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.822 100.8 59.7 -64.3 -31.7 20.6 41.6 -3.2 223 223 A L H <>S+ 0 0 3 -4,-2.4 5,-2.8 -5,-0.2 6,-0.7 0.903 111.4 41.8 -62.3 -39.0 19.0 42.3 -6.5 224 224 A D H ><5S+ 0 0 95 -4,-1.1 3,-0.9 -3,-0.3 -2,-0.2 0.940 114.0 51.1 -72.0 -47.4 22.3 41.1 -8.1 225 225 A Y H 3<5S+ 0 0 172 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.900 118.5 36.6 -57.0 -45.8 22.8 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