==== 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 06-FEB-07 2JFV . COMPND 2 MOLECULE: GLUTAMATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR T.LUNDQVIST . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 15.6 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 2 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 0 228 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.9 -0.2 79.4 47.6 2 2 A I - 0 0 135 2,-0.0 2,-0.5 1,-0.0 0, 0.0 -0.637 360.0-164.6 -78.2 107.3 -2.1 76.2 48.2 3 3 A R - 0 0 142 -2,-0.8 2,-0.5 225,-0.0 225,-0.0 -0.803 6.8-149.0 -94.2 130.3 0.1 73.2 47.0 4 4 A L - 0 0 104 -2,-0.5 2,-0.6 223,-0.1 225,-0.1 -0.857 6.6-140.2-103.7 129.9 -1.7 69.9 46.6 5 5 A T - 0 0 92 -2,-0.5 2,-0.5 223,-0.1 225,-0.2 -0.788 25.1-179.3 -87.0 119.7 0.1 66.6 47.2 6 6 A D + 0 0 25 223,-2.3 65,-0.1 -2,-0.6 -2,-0.0 -0.934 15.4 179.0-125.2 107.1 -1.1 64.2 44.5 7 7 A N + 0 0 85 -2,-0.5 230,-0.2 223,-0.1 223,-0.1 0.311 41.6 123.9 -91.4 10.8 0.3 60.7 44.7 8 8 A R - 0 0 100 1,-0.1 26,-0.4 220,-0.1 62,-0.1 -0.373 68.3-103.0 -64.8 150.5 -1.6 59.4 41.6 9 9 A P - 0 0 11 0, 0.0 62,-2.3 0, 0.0 63,-0.6 -0.300 19.8-121.4 -77.1 161.6 0.8 58.0 39.0 10 10 A I E -ab 35 72A 0 24,-2.8 26,-2.0 60,-0.2 2,-0.3 -0.862 33.8-137.4 -97.2 134.1 2.0 59.6 35.8 11 11 A G E -ab 36 73A 0 61,-3.0 63,-2.6 -2,-0.5 2,-0.4 -0.727 18.4-170.4-100.1 148.0 1.1 57.5 32.8 12 12 A F E -ab 37 74A 0 24,-2.0 26,-2.2 -2,-0.3 2,-0.4 -1.000 6.4-172.0-133.4 130.5 3.2 56.6 29.7 13 13 A I E +ab 38 75A 0 61,-2.3 63,-2.3 -2,-0.4 64,-0.4 -0.944 9.9 162.4-126.9 148.9 1.9 54.9 26.6 14 14 A D E -a 39 0A 8 24,-1.9 26,-2.5 -2,-0.4 27,-0.1 -0.986 43.7-127.5-157.9 153.2 3.6 53.5 23.6 15 15 A S S S+ 0 0 13 -2,-0.3 28,-0.3 24,-0.2 29,-0.3 0.851 96.7 4.0 -72.3 -31.7 2.9 51.1 20.7 16 16 A G S S- 0 0 4 23,-0.1 25,-0.1 22,-0.1 24,-0.1 -0.212 96.0 -73.3-126.7-144.5 6.1 49.3 21.6 17 17 A V S > S+ 0 0 7 1,-0.1 3,-2.2 2,-0.1 4,-0.2 0.534 97.7 91.4-101.2 -10.6 9.0 49.2 24.1 18 18 A G T > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.881 75.5 69.2 -52.3 -40.4 11.0 52.2 23.0 19 19 A G T >> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 3,-0.9 0.599 75.8 85.6 -55.9 -12.4 9.0 54.4 25.5 20 20 A L H <> S+ 0 0 0 -3,-2.2 4,-2.3 1,-0.3 -1,-0.3 0.795 82.6 58.9 -61.1 -27.4 10.9 52.5 28.2 21 21 A T H <> S+ 0 0 5 -3,-2.2 4,-1.7 -4,-0.2 -1,-0.3 0.796 102.1 53.6 -72.6 -25.6 13.7 55.0 27.9 22 22 A V H <> S+ 0 0 0 -3,-0.9 4,-2.0 -4,-0.3 -2,-0.2 0.896 109.5 47.9 -72.4 -39.1 11.3 57.8 28.6 23 23 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.900 107.2 56.8 -65.6 -40.0 10.3 56.0 31.8 24 24 A K H X S+ 0 0 86 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.921 109.3 45.7 -57.0 -43.4 14.0 55.6 32.6 25 25 A E H X S+ 0 0 47 -4,-1.7 4,-3.1 1,-0.2 5,-0.3 0.857 110.4 53.7 -68.5 -35.5 14.4 59.4 32.4 26 26 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 7,-0.2 0.902 105.0 54.3 -65.7 -39.6 11.3 59.9 34.5 27 27 A L H < S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 116.7 38.5 -61.3 -36.1 12.7 57.6 37.2 28 28 A K H < S+ 0 0 159 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.922 123.9 36.5 -79.8 -49.6 15.8 59.7 37.4 29 29 A Q H < S+ 0 0 68 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.771 125.0 38.5 -77.4 -28.9 14.3 63.2 36.9 30 30 A L >< + 0 0 13 -4,-2.6 3,-2.0 -5,-0.3 -1,-0.2 -0.552 66.4 166.5-123.2 65.6 11.1 62.7 39.0 31 31 A P T 3 S+ 0 0 69 0, 0.0 205,-0.9 0, 0.0 -1,-0.1 0.659 76.2 49.2 -54.8 -20.4 12.3 60.5 41.9 32 32 A N T 3 S+ 0 0 53 203,-0.2 2,-0.4 -3,-0.1 203,-0.2 0.371 89.6 100.9-103.8 5.7 9.1 61.1 43.8 33 33 A E < - 0 0 9 -3,-2.0 2,-0.2 -7,-0.2 203,-0.1 -0.751 66.7-130.7 -99.0 136.7 6.5 60.3 41.1 34 34 A N - 0 0 4 -2,-0.4 -24,-2.8 -26,-0.4 2,-0.4 -0.523 27.9-148.2 -78.4 149.6 4.6 57.1 40.7 35 35 A I E +ac 10 239A 1 203,-2.7 205,-2.3 -26,-0.3 2,-0.4 -0.967 22.2 179.7-131.0 138.1 4.7 55.5 37.2 36 36 A L E -ac 11 240A 3 -26,-2.0 -24,-2.0 -2,-0.4 2,-0.4 -0.996 14.0-175.0-130.4 134.8 2.4 53.4 35.0 37 37 A F E -ac 12 241A 0 203,-2.0 205,-2.6 -2,-0.4 2,-0.4 -0.992 9.9-167.1-134.9 140.2 3.4 52.3 31.5 38 38 A V E -ac 13 242A 0 -26,-2.2 -24,-1.9 -2,-0.4 2,-0.5 -0.996 0.3-171.0-127.7 128.8 1.6 50.5 28.7 39 39 A G E -ac 14 243A 0 203,-2.3 205,-1.6 -2,-0.4 2,-1.6 -0.977 13.6-153.6-119.1 115.4 3.3 49.0 25.7 40 40 A D > + 0 0 2 -26,-2.5 3,-2.2 -2,-0.5 4,-0.5 -0.317 36.3 152.5 -85.1 55.4 0.9 47.7 23.0 41 41 A T T 3 + 0 0 42 -2,-1.6 3,-0.4 1,-0.3 -1,-0.2 0.702 61.3 69.8 -59.4 -21.8 3.4 45.2 21.6 42 42 A A T 3 S+ 0 0 63 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.655 114.5 27.4 -71.2 -13.9 0.6 42.9 20.4 43 43 A R S < S+ 0 0 42 -3,-2.2 -1,-0.2 -28,-0.3 -2,-0.2 0.269 95.0 162.7-129.5 9.2 -0.2 45.6 17.8 44 44 A C + 0 0 52 -4,-0.5 2,-0.1 -3,-0.4 -28,-0.0 -0.518 45.2 51.9 -72.4 140.4 3.2 47.3 17.3 45 45 A P + 0 0 79 0, 0.0 4,-0.1 0, 0.0 -4,-0.0 0.566 52.2 176.2 -90.8 159.3 4.0 49.0 14.9 46 46 A Y > + 0 0 1 1,-0.1 3,-1.6 2,-0.1 8,-0.1 0.723 62.9 87.1 -90.5 -29.3 1.4 51.7 14.5 47 47 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.1 7,-0.1 7,-0.1 0.828 88.3 44.5 -38.7 -57.8 3.2 53.6 11.7 48 48 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.642 96.6 99.0 -67.1 -16.3 1.8 51.6 8.6 49 49 A R S < S- 0 0 68 -3,-1.6 -3,-0.0 -4,-0.1 2,-0.0 -0.386 84.0-101.7 -76.8 150.1 -1.7 51.7 10.0 50 50 A P >> - 0 0 73 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.372 36.7-108.6 -67.5 150.0 -4.4 54.1 8.8 51 51 A A H 3> S+ 0 0 40 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.850 117.2 62.0 -45.8 -45.0 -5.0 57.1 11.2 52 52 A E H 3> S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.884 108.4 43.1 -50.8 -42.7 -8.4 55.7 12.2 53 53 A Q H <> S+ 0 0 60 -3,-1.2 4,-2.6 2,-0.2 5,-0.3 0.915 111.7 52.1 -71.7 -46.1 -6.7 52.6 13.6 54 54 A V H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.916 111.3 48.1 -57.5 -45.2 -3.8 54.4 15.3 55 55 A I H X S+ 0 0 32 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.887 110.7 51.5 -64.3 -39.4 -6.2 56.7 17.1 56 56 A Q H X S+ 0 0 97 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.949 113.3 43.4 -63.1 -49.5 -8.4 53.8 18.3 57 57 A Y H X S+ 0 0 26 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.869 113.4 50.9 -65.3 -39.1 -5.5 51.8 19.7 58 58 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.896 109.5 51.7 -66.7 -37.3 -4.0 54.9 21.4 59 59 A W H X S+ 0 0 49 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.870 106.6 54.5 -65.6 -36.5 -7.4 55.7 22.9 60 60 A E H X S+ 0 0 47 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.911 111.0 43.9 -65.1 -40.7 -7.5 52.1 24.3 61 61 A M H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.909 115.6 49.7 -68.3 -40.9 -4.2 52.5 26.0 62 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.958 110.4 48.5 -60.8 -53.3 -5.2 55.9 27.3 63 63 A D H X S+ 0 0 76 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.894 109.3 55.0 -54.9 -42.6 -8.5 54.7 28.6 64 64 A Y H X S+ 0 0 49 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.935 112.7 40.3 -58.3 -49.3 -6.8 51.8 30.4 65 65 A L H <>S+ 0 0 0 -4,-2.0 5,-1.8 2,-0.2 4,-0.3 0.855 111.9 55.5 -70.5 -35.9 -4.4 54.1 32.3 66 66 A V H ><5S+ 0 0 54 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.927 108.8 48.8 -61.7 -41.6 -7.0 56.7 33.0 67 67 A E H 3<5S+ 0 0 152 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.721 104.9 59.3 -69.9 -20.5 -9.1 54.0 34.6 68 68 A Q T 3<5S- 0 0 86 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.489 127.2-100.9 -83.7 -5.4 -6.0 52.9 36.6 69 69 A G T < 5 + 0 0 26 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.664 57.9 168.0 99.9 19.9 -5.9 56.4 38.0 70 70 A I < - 0 0 5 -5,-1.8 -60,-0.2 -62,-0.1 -1,-0.2 -0.302 24.1-161.1 -68.6 152.9 -3.3 58.5 36.2 71 71 A K S S+ 0 0 1 -62,-2.3 2,-0.3 1,-0.3 -61,-0.2 0.493 77.0 20.1-106.6 -10.6 -3.1 62.3 36.7 72 72 A M E S-b 10 0A 0 -63,-0.6 -61,-3.0 22,-0.2 2,-0.4 -0.974 70.6-139.9-157.9 148.8 -1.1 63.1 33.6 73 73 A L E -bd 11 96A 0 22,-2.9 24,-2.8 -2,-0.3 2,-0.5 -0.961 7.8-168.0-124.5 132.3 -0.4 61.3 30.3 74 74 A V E -bd 12 97A 0 -63,-2.6 -61,-2.3 -2,-0.4 2,-0.9 -0.969 11.6-154.2-115.6 120.0 2.8 61.1 28.3 75 75 A I E -b 13 0A 0 22,-3.1 24,-0.5 -2,-0.5 -61,-0.2 -0.852 13.7-178.5 -94.3 104.5 2.4 59.7 24.8 76 76 A A + 0 0 1 -63,-2.3 2,-0.4 -2,-0.9 113,-0.2 0.357 51.6 95.1 -87.2 5.9 5.9 58.3 24.1 77 77 A C > - 0 0 7 -64,-0.4 4,-2.1 1,-0.1 22,-0.2 -0.818 63.9-150.2-101.0 134.3 5.1 57.1 20.6 78 78 A N H > S+ 0 0 25 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.924 99.0 46.6 -67.6 -44.9 5.9 59.3 17.6 79 79 A T H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.916 115.1 46.0 -64.3 -43.0 3.1 58.1 15.4 80 80 A A H >>S+ 0 0 0 2,-0.2 4,-2.6 3,-0.2 5,-1.6 0.896 113.3 51.0 -66.9 -38.6 0.6 58.4 18.3 81 81 A T H <5S+ 0 0 17 -4,-2.1 4,-0.4 3,-0.2 5,-0.4 0.942 116.0 40.4 -62.3 -47.9 1.9 61.9 19.1 82 82 A A H <5S+ 0 0 71 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.843 129.8 28.4 -71.1 -33.2 1.6 63.0 15.4 83 83 A V H <5S+ 0 0 57 -4,-2.6 4,-0.2 -5,-0.2 -3,-0.2 0.856 133.0 17.8 -98.8 -40.3 -1.7 61.3 14.8 84 84 A A T X5S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 5,-0.3 0.609 94.2 89.0-113.0 -13.4 -3.7 61.1 18.1 85 85 A L H > S+ 0 0 140 -5,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.915 112.4 44.6 -56.5 -47.6 -4.4 66.5 19.6 87 87 A E H > S+ 0 0 97 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 116.8 44.7 -64.0 -46.9 -7.7 64.6 19.9 88 88 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.895 112.3 51.7 -65.5 -41.4 -6.9 62.9 23.2 89 89 A K H < S+ 0 0 104 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.895 110.6 49.0 -62.9 -40.7 -5.5 66.1 24.7 90 90 A A H < S+ 0 0 85 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.879 115.4 44.0 -67.0 -38.3 -8.7 68.0 23.8 91 91 A A H < S+ 0 0 65 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.866 101.5 72.1 -77.4 -40.5 -10.9 65.3 25.2 92 92 A L < - 0 0 36 -4,-2.5 4,-0.1 -5,-0.1 0, 0.0 -0.310 67.7-142.0 -77.9 163.0 -9.3 64.5 28.6 93 93 A S S S+ 0 0 129 2,-0.1 -1,-0.1 -2,-0.0 -4,-0.1 0.388 80.3 80.4-100.7 -0.8 -9.2 66.7 31.7 94 94 A I S S- 0 0 33 1,-0.1 -22,-0.2 -5,-0.0 -2,-0.1 -0.719 94.2 -91.5-104.7 157.3 -5.6 65.7 32.5 95 95 A P - 0 0 16 0, 0.0 -22,-2.9 0, 0.0 2,-0.4 -0.397 40.2-162.3 -66.3 143.2 -2.4 67.1 31.0 96 96 A V E -d 73 0A 6 -24,-0.2 2,-0.4 -4,-0.1 -22,-0.2 -0.997 6.4-171.6-131.9 128.2 -1.2 65.2 27.9 97 97 A I E -d 74 0A 2 -24,-2.8 -22,-3.1 -2,-0.4 2,-0.2 -0.938 6.5-159.7-124.3 143.8 2.4 65.6 26.5 98 98 A G - 0 0 8 -2,-0.4 -22,-0.1 -24,-0.2 -20,-0.1 -0.591 22.0-125.0-110.3 175.5 4.1 64.3 23.4 99 99 A V S > S+ 0 0 0 -24,-0.5 4,-1.3 -22,-0.2 5,-0.2 0.770 89.4 68.8 -97.4 -24.4 7.8 63.8 22.6 100 100 A I H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.935 97.4 45.8 -62.5 -56.2 8.5 65.8 19.4 101 101 A L H > S+ 0 0 89 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.898 108.8 55.3 -59.7 -43.0 8.1 69.4 20.4 102 102 A P H > S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.926 112.3 43.7 -57.2 -43.1 10.2 69.1 23.7 103 103 A G H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.896 113.4 51.3 -67.7 -39.1 13.1 67.8 21.7 104 104 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.918 109.1 51.2 -62.9 -43.4 12.7 70.3 19.0 105 105 A R H X S+ 0 0 110 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.920 110.9 48.1 -59.9 -45.3 12.6 73.1 21.5 106 106 A A H X S+ 0 0 12 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.879 109.9 52.5 -64.5 -39.1 15.8 71.9 23.1 107 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.927 106.8 51.9 -63.3 -46.7 17.6 71.6 19.7 108 108 A V H < S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.4 45.7 -57.9 -39.5 16.7 75.1 18.8 109 109 A K H < S+ 0 0 176 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.910 114.5 46.8 -71.3 -42.8 18.2 76.3 22.0 110 110 A K H < S+ 0 0 109 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.828 89.7 94.2 -70.9 -35.5 21.4 74.2 21.9 111 111 A T < + 0 0 12 -4,-2.4 5,-0.1 -5,-0.2 72,-0.0 -0.322 39.9 172.6 -65.5 141.3 22.5 74.9 18.3 112 112 A Q S S+ 0 0 159 3,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.735 81.2 37.3-112.5 -46.4 25.0 77.6 17.6 113 113 A N S S- 0 0 69 2,-0.1 3,-0.1 67,-0.1 -2,-0.1 0.378 104.8-121.7 -90.4 4.4 25.8 77.3 13.9 114 114 A K S S+ 0 0 69 1,-0.2 28,-2.6 -6,-0.1 2,-0.9 0.638 70.5 132.4 65.8 16.7 22.2 76.4 13.0 115 115 A Q E +f 142 0B 48 65,-0.2 67,-1.8 26,-0.2 68,-1.1 -0.835 34.3 176.4-100.8 97.9 23.3 73.1 11.5 116 116 A V E -fg 143 183B 0 26,-1.6 28,-2.3 -2,-0.9 2,-0.3 -0.868 12.3-169.7-111.0 136.7 20.8 70.6 13.0 117 117 A G E -fg 144 184B 0 66,-3.0 68,-2.9 -2,-0.4 2,-0.3 -0.791 3.7-167.2-118.6 161.5 20.4 66.9 12.4 118 118 A I E -fg 145 185B 2 26,-2.0 28,-2.5 -2,-0.3 2,-0.4 -0.973 1.9-167.4-149.4 132.1 17.8 64.4 13.4 119 119 A I E +fg 146 186B 0 66,-2.3 68,-2.4 -2,-0.3 2,-0.3 -0.920 28.2 120.8-119.6 148.0 17.9 60.6 13.2 120 120 A G E -f 147 0B 0 26,-1.3 28,-2.1 -2,-0.4 68,-0.2 -0.947 62.5 -40.1-177.6-169.3 15.0 58.2 13.6 121 121 A T > - 0 0 49 66,-0.3 4,-2.7 -2,-0.3 5,-0.2 -0.299 59.4-107.8 -70.4 161.5 13.1 55.5 11.8 122 122 A I H > S+ 0 0 101 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.852 120.8 56.2 -60.0 -32.4 12.3 56.0 8.1 123 123 A G H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 109.4 44.0 -64.6 -46.6 8.7 56.7 9.1 124 124 A T H >>S+ 0 0 12 2,-0.2 4,-0.7 1,-0.2 5,-0.7 0.934 116.7 47.3 -63.7 -45.3 9.6 59.5 11.4 125 125 A V H ><5S+ 0 0 22 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.935 112.3 48.1 -62.5 -48.1 12.1 60.9 8.9 126 126 A K H 3<5S+ 0 0 157 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.783 103.3 62.0 -65.0 -27.7 9.7 60.7 6.0 127 127 A S H 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.737 94.4-146.5 -69.3 -21.5 6.9 62.4 8.0 128 128 A Q T S+ 0 0 5 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.917 113.8 50.8 -69.9 -43.2 10.9 67.2 13.2 131 131 A E H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.942 113.2 47.0 -59.9 -45.1 12.1 69.3 10.2 132 132 A K H X S+ 0 0 111 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.919 113.5 46.9 -61.9 -45.9 8.7 71.1 10.1 133 133 A A H X S+ 0 0 6 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.2 0.880 114.2 48.7 -64.4 -38.7 8.7 71.7 13.9 134 134 A L H >X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-0.9 0.943 113.5 45.5 -65.7 -48.7 12.3 73.0 13.7 135 135 A K H 3< S+ 0 0 61 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.797 104.4 62.4 -65.9 -31.2 11.7 75.3 10.8 136 136 A E H 3< S+ 0 0 160 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.731 114.0 36.5 -66.9 -21.1 8.5 76.7 12.3 137 137 A K H << S+ 0 0 94 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.837 137.6 12.1 -96.1 -44.3 10.6 77.9 15.2 138 138 A V >< - 0 0 21 -4,-2.6 3,-1.6 -5,-0.1 -1,-0.2 -0.813 60.2-173.3-140.4 95.9 13.8 79.0 13.2 139 139 A P T 3 S+ 0 0 87 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.735 82.5 65.9 -58.6 -27.4 13.4 79.1 9.4 140 140 A E T 3 S+ 0 0 132 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.590 76.3 114.7 -74.4 -11.4 17.2 79.7 8.9 141 141 A L < - 0 0 7 -3,-1.6 2,-0.8 -7,-0.1 -26,-0.2 -0.289 62.9-140.4 -62.7 142.9 18.1 76.3 10.3 142 142 A T E -f 115 0B 72 -28,-2.6 -26,-1.6 2,-0.0 2,-0.5 -0.921 27.0-164.0-103.8 106.7 19.7 73.8 7.9 143 143 A V E -f 116 0B 21 -2,-0.8 2,-0.5 -28,-0.2 -26,-0.2 -0.844 13.8-169.1-104.1 127.3 18.1 70.5 8.8 144 144 A T E -f 117 0B 23 -28,-2.3 -26,-2.0 -2,-0.5 2,-0.5 -0.955 7.9-166.6-111.8 120.0 19.5 67.1 7.8 145 145 A S E -f 118 0B 38 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.923 6.5-176.6-110.3 131.9 17.2 64.2 8.5 146 146 A L E -f 119 0B 42 -28,-2.5 -26,-1.3 -2,-0.5 2,-0.2 -0.969 19.2-141.1-135.5 122.2 18.5 60.6 8.3 147 147 A A E -f 120 0B 21 -2,-0.4 -26,-0.2 -28,-0.2 -25,-0.1 -0.551 8.2-163.4 -76.6 140.9 16.7 57.3 8.7 148 148 A C > - 0 0 2 -28,-2.1 3,-1.7 -2,-0.2 4,-0.5 -0.627 10.2-175.9-126.6 70.7 18.6 54.6 10.6 149 149 A P T 3 S+ 0 0 98 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.662 75.6 39.3 -36.5 -43.9 16.7 51.5 9.6 150 150 A K T 3> S+ 0 0 131 1,-0.2 4,-1.8 2,-0.1 5,-0.2 0.541 87.6 90.8 -95.3 -6.6 18.5 48.9 11.8 151 151 A F H <> S+ 0 0 0 -3,-1.7 4,-2.1 1,-0.2 5,-0.2 0.918 86.4 52.7 -55.3 -46.9 19.0 50.8 15.0 152 152 A V H > S+ 0 0 32 -4,-0.5 4,-3.0 1,-0.2 5,-0.3 0.924 107.5 50.5 -56.5 -46.7 15.7 49.6 16.5 153 153 A S H > S+ 0 0 63 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.883 109.0 52.6 -60.7 -38.0 16.4 45.9 15.9 154 154 A V H <>S+ 0 0 9 -4,-1.8 5,-2.5 2,-0.2 -1,-0.2 0.911 114.4 41.5 -63.7 -43.1 19.9 46.3 17.5 155 155 A V H ><5S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 5,-0.3 0.920 112.9 51.2 -72.5 -45.0 18.4 47.8 20.7 156 156 A E H 3<5S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.733 107.8 55.3 -65.5 -19.5 15.4 45.6 21.0 157 157 A S T 3<5S- 0 0 75 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.381 114.5-121.0 -91.2 4.0 17.7 42.6 20.7 158 158 A N T < 5S+ 0 0 44 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.895 81.4 119.2 55.7 43.8 19.7 44.0 23.6 159 159 A E > < + 0 0 104 -5,-2.5 3,-1.3 -6,-0.1 6,-0.5 -0.041 23.2 122.5-124.1 27.5 22.8 44.2 21.5 160 160 A Y T 3 S+ 0 0 25 -5,-0.3 37,-0.2 1,-0.3 -5,-0.1 0.447 78.6 45.9 -72.1 0.3 23.4 47.9 21.8 161 161 A H T 3 S+ 0 0 132 -3,-0.1 -1,-0.3 35,-0.1 -2,-0.1 0.335 94.0 107.7-120.0 0.9 26.9 47.4 23.2 162 162 A S S <> S- 0 0 27 -3,-1.3 4,-1.8 -8,-0.1 5,-0.1 -0.160 82.9-109.5 -78.3 171.8 28.0 44.7 20.6 163 163 A S H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.843 119.8 58.3 -67.5 -34.5 30.5 44.9 17.8 164 164 A V H > S+ 0 0 79 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.898 104.9 50.0 -62.0 -41.9 27.5 44.7 15.4 165 165 A A H > S+ 0 0 1 -6,-0.5 4,-2.9 2,-0.2 5,-0.3 0.936 109.5 49.6 -63.2 -48.4 26.0 47.8 16.9 166 166 A K H X S+ 0 0 123 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.894 114.2 46.8 -58.7 -40.2 29.2 49.8 16.6 167 167 A K H X S+ 0 0 122 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.937 113.3 47.3 -67.3 -48.6 29.5 48.8 13.0 168 168 A I H X S+ 0 0 26 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.918 115.8 44.2 -60.7 -45.5 25.9 49.5 12.1 169 169 A V H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.943 113.4 50.5 -66.2 -47.4 25.9 53.0 13.8 170 170 A A H X S+ 0 0 42 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.938 116.1 40.8 -55.7 -50.8 29.3 54.0 12.3 171 171 A E H < S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.847 115.4 50.9 -69.2 -34.9 28.3 53.0 8.8 172 172 A T H < S+ 0 0 35 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.900 116.3 38.8 -71.1 -40.2 24.8 54.4 9.0 173 173 A L H >X S+ 0 0 0 -4,-2.6 3,-3.0 -5,-0.2 4,-0.6 0.580 85.2 103.0 -87.4 -9.9 25.8 57.9 10.4 174 174 A A G >< S+ 0 0 47 -4,-1.1 3,-1.8 1,-0.3 4,-0.2 0.859 80.4 50.1 -39.0 -55.4 28.9 58.3 8.2 175 175 A P G 34 S+ 0 0 70 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.612 105.2 61.3 -64.4 -8.0 27.3 60.7 5.7 176 176 A L G X4 S+ 0 0 2 -3,-3.0 3,-0.6 1,-0.2 5,-0.4 0.568 88.3 70.2 -93.6 -10.9 26.1 62.8 8.7 177 177 A T T << S+ 0 0 67 -3,-1.8 3,-0.2 -4,-0.6 -1,-0.2 0.415 92.1 59.2 -87.4 2.3 29.6 63.5 10.0 178 178 A T T 3 S+ 0 0 112 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.088 83.1 77.1-122.4 35.2 30.5 65.9 7.2 179 179 A K S < S- 0 0 95 -3,-0.6 3,-0.1 2,-0.1 -1,-0.1 0.249 99.0-114.8-125.4 10.0 27.8 68.6 7.4 180 180 A K + 0 0 176 1,-0.2 -65,-0.2 -3,-0.2 2,-0.2 0.751 52.4 172.5 61.3 25.3 29.2 70.6 10.3 181 181 A I - 0 0 11 -5,-0.4 -1,-0.2 1,-0.2 -65,-0.2 -0.482 16.4-179.8 -65.6 128.1 26.1 69.6 12.4 182 182 A D + 0 0 25 -67,-1.8 25,-2.6 1,-0.2 2,-0.4 0.453 68.0 45.9-109.3 -2.7 26.6 70.8 16.0 183 183 A T E -gh 116 207B 0 -68,-1.1 -66,-3.0 23,-0.2 2,-0.5 -0.976 62.8-173.7-143.6 124.6 23.3 69.4 17.3 184 184 A L E -gh 117 208B 0 23,-2.6 25,-2.7 -2,-0.4 2,-0.4 -0.967 14.2-146.6-126.0 119.5 21.7 66.0 16.7 185 185 A I E -gh 118 209B 0 -68,-2.9 -66,-2.3 -2,-0.5 2,-1.5 -0.689 11.2-140.5 -84.8 128.0 18.3 65.0 17.8 186 186 A L E -gh 119 210B 3 23,-3.4 25,-1.0 -2,-0.4 26,-0.3 -0.746 26.6-177.7 -85.8 93.2 17.8 61.4 18.8 187 187 A G + 0 0 1 -68,-2.4 2,-0.3 -2,-1.5 -66,-0.3 0.069 57.0 65.7 -85.7 22.9 14.4 61.1 17.2 188 188 A C S > S- 0 0 9 -68,-0.2 3,-1.4 -170,-0.0 24,-0.1 -0.980 76.8-135.8-142.5 129.5 13.6 57.6 18.2 189 189 A T T 3 S+ 0 0 21 -2,-0.3 -168,-0.2 1,-0.3 4,-0.2 0.625 102.7 62.8 -63.4 -13.2 13.1 56.5 21.8 190 190 A H T > S+ 0 0 17 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.786 85.9 78.0 -78.9 -27.7 15.2 53.4 21.3 191 191 A Y G X S+ 0 0 0 -3,-1.4 3,-2.1 1,-0.3 4,-0.4 0.693 70.0 76.4 -59.2 -26.5 18.3 55.5 20.5 192 192 A P G > S+ 0 0 27 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.836 89.8 61.6 -56.5 -27.6 19.3 56.5 24.0 193 193 A L G < S+ 0 0 13 -3,-1.5 -2,-0.2 1,-0.3 4,-0.1 0.728 107.5 44.0 -68.7 -20.1 20.7 52.9 24.4 194 194 A L G <> S+ 0 0 1 -3,-2.1 4,-2.7 -4,-0.3 3,-0.4 0.304 81.3 111.9-104.0 5.6 23.1 53.6 21.5 195 195 A R H <> S+ 0 0 90 -3,-1.2 4,-3.2 -4,-0.4 5,-0.3 0.852 72.5 53.0 -50.3 -46.3 24.1 57.1 22.7 196 196 A P H > S+ 0 0 88 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.933 114.4 43.3 -58.4 -42.3 27.7 56.3 23.7 197 197 A I H > S+ 0 0 18 -3,-0.4 4,-2.3 -37,-0.2 -2,-0.2 0.908 114.7 49.6 -68.0 -42.4 28.3 54.8 20.2 198 198 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.916 110.7 50.2 -63.0 -42.8 26.5 57.7 18.5 199 199 A Q H X S+ 0 0 52 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.916 110.3 49.9 -62.1 -43.8 28.5 60.3 20.4 200 200 A N H < S+ 0 0 133 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.927 113.4 45.6 -60.9 -46.0 31.8 58.6 19.5 201 201 A V H < S+ 0 0 34 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.869 117.7 42.6 -66.4 -38.6 30.8 58.5 15.8 202 202 A M H < S- 0 0 19 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.817 112.8-119.5 -78.8 -32.4 29.6 62.1 15.7 203 203 A G >< - 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