==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-FEB-03 1OC2 . COMPND 2 MOLECULE: DTDP-GLUCOSE 4,6-DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SUIS; . AUTHOR K.BEIS,J.H.NAISMITH . 692 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.3 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 . 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 . 42 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.2 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 0 0 2 4 2 0 0 4 0 4 4 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 6 4 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 Q 0 0 172 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.5 34.5 9.9 98.8 2 4 A F + 0 0 20 1,-0.1 3,-0.2 3,-0.0 238,-0.0 -0.992 360.0 177.7-129.2 138.7 37.1 8.2 96.5 3 5 A K S S+ 0 0 106 -2,-0.4 27,-2.5 1,-0.2 2,-0.3 0.538 74.7 36.7-112.8 -16.0 40.5 7.0 97.7 4 6 A N E S+a 30 0A 71 25,-0.2 71,-2.9 2,-0.0 72,-1.0 -0.725 73.3 173.0-145.7 88.6 42.1 5.4 94.6 5 7 A I E -ab 31 76A 1 25,-2.5 27,-2.7 -2,-0.3 2,-0.5 -0.715 25.7-142.2-105.5 150.3 41.3 7.1 91.3 6 8 A I E -ab 32 77A 7 70,-2.4 72,-3.1 -2,-0.3 2,-0.7 -0.952 13.0-164.3-103.4 128.0 42.6 6.6 87.8 7 9 A V E > -ab 33 78A 0 25,-2.3 27,-2.0 -2,-0.5 3,-0.9 -0.936 9.5-154.9-110.7 109.0 43.1 9.8 85.8 8 10 A T E 3 S+ab 34 79A 0 70,-2.2 72,-1.4 -2,-0.7 27,-0.2 -0.574 79.3 16.9 -79.3 149.4 43.4 9.0 82.2 9 11 A G T > S+ 0 0 9 25,-2.5 3,-1.6 71,-0.2 6,-0.4 0.741 79.9 144.9 66.4 20.3 45.3 11.5 80.1 10 12 A G T < + 0 0 0 -3,-0.9 9,-0.2 24,-0.4 -1,-0.1 0.437 60.2 65.5 -78.0 0.9 46.8 13.0 83.3 11 13 A A T 3 S+ 0 0 0 23,-0.1 31,-2.1 4,-0.1 -1,-0.3 0.292 93.8 78.2 -94.0 2.1 50.1 13.8 81.6 12 14 A G S <> S- 0 0 14 -3,-1.6 4,-1.3 29,-0.2 5,-0.2 -0.132 99.4 -79.4 -95.5-165.0 48.4 16.3 79.3 13 15 A F H > S+ 0 0 24 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.997 120.3 22.8 -63.4 -73.9 47.3 19.8 79.9 14 16 A I H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.859 124.3 54.2 -65.1 -39.7 43.9 19.7 81.7 15 17 A G H > S+ 0 0 3 -6,-0.4 4,-2.4 2,-0.2 -5,-0.2 0.902 108.2 48.5 -63.1 -45.2 44.5 16.3 83.1 16 18 A S H X S+ 0 0 0 -4,-1.3 4,-2.5 -7,-0.3 -1,-0.2 0.898 108.7 54.2 -64.6 -38.2 47.8 17.2 84.7 17 19 A N H X S+ 0 0 15 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.925 109.0 49.2 -59.5 -42.8 46.2 20.3 86.2 18 20 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.903 109.1 51.8 -60.6 -45.0 43.6 18.0 87.7 19 21 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.923 109.9 49.1 -59.3 -43.2 46.2 15.7 89.1 20 22 A H H X S+ 0 0 51 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.896 109.3 53.9 -60.9 -41.6 48.0 18.7 90.7 21 23 A Y H X S+ 0 0 43 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.918 111.4 43.6 -57.8 -47.6 44.7 19.8 92.1 22 24 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 7,-0.3 0.930 113.0 52.4 -67.5 -44.3 44.1 16.4 93.8 23 25 A Y H < S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.880 118.3 37.6 -51.9 -46.3 47.8 16.3 95.0 24 26 A N H < S+ 0 0 115 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.910 129.1 26.9 -71.8 -52.1 47.4 19.7 96.6 25 27 A N H < S+ 0 0 82 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.629 127.1 34.9 -98.7 -17.7 43.9 19.6 97.9 26 28 A H >< + 0 0 36 -4,-2.5 3,-2.3 -5,-0.3 -1,-0.2 -0.516 59.6 163.9-137.4 64.8 43.1 16.0 98.6 27 29 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.591 71.5 69.0 -69.2 -6.7 46.3 14.4 99.7 28 30 A D T 3 S+ 0 0 93 -6,-0.1 2,-0.4 -3,-0.1 -5,-0.1 0.522 85.0 88.4 -80.8 -7.5 44.4 11.4 101.1 29 31 A V < - 0 0 5 -3,-2.3 2,-0.5 -7,-0.3 -25,-0.2 -0.757 69.5-145.2 -97.2 135.2 43.5 10.3 97.5 30 32 A H E -a 4 0A 42 -27,-2.5 -25,-2.5 -2,-0.4 2,-0.5 -0.846 16.7-160.4 -96.3 133.5 45.8 8.1 95.6 31 33 A V E -ac 5 54A 1 22,-3.3 24,-2.5 -2,-0.5 2,-0.6 -0.964 11.2-166.2-117.3 130.4 45.9 8.9 91.8 32 34 A T E -ac 6 55A 18 -27,-2.7 -25,-2.3 -2,-0.5 2,-0.5 -0.964 15.1-152.9-109.5 116.0 47.1 6.5 89.1 33 35 A V E -ac 7 56A 0 22,-3.3 24,-3.3 -2,-0.6 2,-0.6 -0.766 5.6-163.7 -89.1 129.7 47.6 8.4 85.9 34 36 A L E +ac 8 57A 2 -27,-2.0 -25,-2.5 -2,-0.5 -24,-0.4 -0.975 25.9 155.2-113.4 112.3 47.1 6.3 82.8 35 37 A D E - c 0 58A 13 22,-2.1 24,-1.2 -2,-0.6 25,-0.1 -0.994 42.1-151.2-146.8 134.6 48.7 8.1 79.8 36 38 A K - 0 0 99 -2,-0.4 24,-0.1 22,-0.2 22,-0.1 0.565 39.0-128.7 -78.9 -13.9 50.1 6.9 76.5 37 39 A L + 0 0 48 22,-0.1 6,-0.1 5,-0.0 23,-0.1 0.961 42.0 172.4 52.4 61.6 52.6 9.8 76.3 38 40 A T > - 0 0 45 1,-0.1 3,-1.5 4,-0.0 45,-0.0 -0.036 60.7 -70.5 -69.5-172.7 51.7 10.9 72.8 39 41 A Y T 3 S+ 0 0 88 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.778 141.1 49.4 -52.4 -30.2 53.1 14.1 71.3 40 42 A A T 3 S+ 0 0 28 155,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.580 91.5 88.5 -90.7 -10.9 50.8 15.8 73.9 41 43 A G < - 0 0 15 -3,-1.5 2,-0.4 -29,-0.1 -29,-0.2 -0.704 55.7-174.3 -92.2 141.9 51.8 13.8 77.0 42 44 A N > - 0 0 38 -31,-2.1 3,-1.9 -2,-0.3 4,-0.3 -0.926 27.4-155.3-144.2 112.0 54.7 15.1 79.0 43 45 A K G >> S+ 0 0 124 -2,-0.4 4,-2.1 1,-0.3 3,-1.9 0.817 95.8 69.4 -53.1 -29.6 56.3 13.5 82.0 44 46 A A G 34 S+ 0 0 38 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.742 86.7 66.9 -64.6 -21.0 57.4 17.0 83.0 45 47 A N G <4 S+ 0 0 3 -3,-1.9 -1,-0.3 -34,-0.3 -2,-0.2 0.675 120.6 17.0 -69.9 -18.3 53.8 17.9 83.8 46 48 A L T X> S+ 0 0 1 -3,-1.9 3,-1.9 -4,-0.3 4,-0.8 0.520 94.2 100.7-124.3 -17.4 53.9 15.4 86.6 47 49 A E G >< S+ 0 0 142 -4,-2.1 3,-0.7 1,-0.3 -3,-0.1 0.798 82.6 52.3 -50.4 -39.3 57.5 14.6 87.5 48 50 A A G 34 S+ 0 0 92 -4,-0.4 -1,-0.3 1,-0.2 -4,-0.1 0.710 114.5 42.5 -72.4 -22.0 57.8 16.9 90.5 49 51 A I G <4 S+ 0 0 12 -3,-1.9 5,-0.4 2,-0.1 -1,-0.2 0.385 80.5 120.6-108.1 4.5 54.6 15.4 92.2 50 52 A L << + 0 0 76 -4,-0.8 2,-0.3 -3,-0.7 5,-0.2 -0.476 43.4 86.4 -68.2 138.7 55.2 11.7 91.5 51 53 A G S S- 0 0 46 3,-2.5 -2,-0.1 -2,-0.1 -1,-0.0 -0.939 94.4 -22.3 167.4-141.8 55.3 9.7 94.8 52 54 A D S S+ 0 0 163 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.803 136.2 42.6 -72.5 -24.9 53.0 8.1 97.2 53 55 A R S S+ 0 0 86 1,-0.2 -22,-3.3 -4,-0.2 2,-0.4 0.798 120.3 37.6 -84.9 -34.9 50.0 10.2 96.1 54 56 A V E +c 31 0A 1 -5,-0.4 -3,-2.5 -24,-0.2 2,-0.4 -0.976 59.9 177.2-131.2 123.3 50.6 10.1 92.3 55 57 A E E -c 32 0A 83 -24,-2.5 -22,-3.3 -2,-0.4 2,-0.5 -0.943 19.3-141.7-120.1 146.4 51.8 7.3 90.1 56 58 A L E -c 33 0A 39 -2,-0.4 2,-0.5 -24,-0.2 -22,-0.2 -0.947 12.8-172.4-107.3 126.6 52.2 7.3 86.3 57 59 A V E -c 34 0A 28 -24,-3.3 -22,-2.1 -2,-0.5 2,-0.6 -0.991 18.5-142.5-113.2 119.3 51.4 4.2 84.3 58 60 A V E +c 35 0A 81 -2,-0.5 2,-0.3 -24,-0.2 -22,-0.2 -0.760 51.5 97.4 -84.7 119.4 52.4 4.5 80.7 59 61 A G - 0 0 15 -24,-1.2 2,-0.4 -2,-0.6 -22,-0.1 -0.979 67.7 -78.9 176.1 178.9 49.8 2.9 78.4 60 62 A D > - 0 0 28 -2,-0.3 3,-2.0 -24,-0.1 7,-0.2 -0.805 22.3-138.8-104.6 134.6 46.8 3.2 76.1 61 63 A I T 3 S+ 0 0 5 -2,-0.4 -1,-0.1 1,-0.3 6,-0.0 0.679 107.4 60.4 -63.3 -18.5 43.2 3.4 77.3 62 64 A A T 3 S+ 0 0 24 44,-0.1 2,-1.3 1,-0.1 -1,-0.3 0.472 77.2 99.9 -87.9 -0.3 42.3 1.0 74.5 63 65 A D <> - 0 0 72 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 -0.697 57.2-171.1 -86.0 93.5 44.6 -1.7 76.0 64 66 A A H > S+ 0 0 61 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.827 78.7 54.2 -60.4 -35.4 41.9 -3.7 77.7 65 67 A E H > S+ 0 0 172 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 113.5 43.0 -66.5 -41.1 44.3 -6.0 79.6 66 68 A L H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.934 113.7 50.4 -67.7 -44.1 46.1 -3.0 81.2 67 69 A V H X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.898 109.1 53.6 -60.5 -41.1 42.8 -1.1 81.8 68 70 A D H X S+ 0 0 52 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.898 107.7 50.2 -58.8 -43.2 41.5 -4.2 83.5 69 71 A K H < S+ 0 0 135 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.891 116.1 41.0 -67.6 -40.1 44.5 -4.5 85.8 70 72 A L H >< S+ 0 0 13 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.896 112.0 53.0 -75.1 -41.2 44.2 -0.9 86.9 71 73 A A H >< S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.811 96.9 68.5 -66.7 -30.3 40.4 -0.7 87.2 72 74 A A T 3< S+ 0 0 55 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.706 107.9 38.5 -57.2 -21.3 40.5 -3.8 89.5 73 75 A K T < S+ 0 0 145 -3,-1.4 -1,-0.3 -4,-0.3 2,-0.2 0.284 104.4 88.0-112.9 7.9 42.2 -1.6 92.1 74 76 A A < - 0 0 16 -3,-1.5 -69,-0.2 -4,-0.1 3,-0.1 -0.702 52.6-161.3-112.6 158.3 40.4 1.7 91.6 75 77 A D S S+ 0 0 47 -71,-2.9 42,-1.4 1,-0.3 2,-0.3 0.487 80.5 14.8-110.7 -4.8 37.2 3.3 92.9 76 78 A A E -bd 5 117A 0 -72,-1.0 -70,-2.4 40,-0.2 2,-0.4 -0.975 56.9-148.1-161.4 152.8 36.8 5.9 90.1 77 79 A I E -bd 6 118A 0 40,-2.2 42,-2.8 -2,-0.3 2,-0.5 -0.999 7.8-167.2-121.1 127.4 38.0 6.8 86.7 78 80 A V E -bd 7 119A 0 -72,-3.1 -70,-2.2 -2,-0.4 2,-0.8 -0.984 21.1-148.2-115.1 117.2 38.2 10.4 85.6 79 81 A H E +bd 8 120A 1 40,-2.8 42,-1.9 -2,-0.5 -70,-0.1 -0.801 44.2 138.5-109.1 99.7 38.7 10.4 81.9 80 82 A Y + 0 0 23 -72,-1.4 -71,-0.2 -2,-0.8 -1,-0.2 0.554 34.8 120.1-102.9 -17.8 40.7 13.0 80.1 81 83 A A + 0 0 13 -47,-0.1 2,-0.3 22,-0.1 -72,-0.1 -0.309 38.9 123.8 -60.5 126.6 42.7 10.9 77.6 82 84 A A S S- 0 0 32 -2,-0.1 2,-0.6 -73,-0.1 14,-0.1 -0.966 70.7-101.4-166.6 156.0 41.9 12.1 74.1 83 85 A E - 0 0 21 -2,-0.3 17,-0.0 12,-0.2 -2,-0.0 -0.881 48.6-175.6 -76.3 120.6 43.4 13.3 70.9 84 86 A S + 0 0 40 -2,-0.6 2,-0.6 1,-0.0 -1,-0.1 0.415 38.7 94.9-109.7 -4.2 42.4 16.9 71.6 85 87 A H > - 0 0 7 1,-0.2 4,-1.9 113,-0.0 5,-0.2 -0.839 49.9-158.7-111.6 119.2 43.3 19.1 68.6 86 88 A N H > S+ 0 0 10 -2,-0.6 4,-1.3 1,-0.2 73,-0.2 0.886 95.8 53.2 -53.1 -46.1 40.9 20.1 65.8 87 89 A D H > S+ 0 0 17 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.917 108.2 49.2 -60.8 -41.5 43.7 20.8 63.4 88 90 A N H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.889 107.2 56.9 -61.8 -36.1 45.3 17.5 63.9 89 91 A S H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.784 103.1 53.2 -67.8 -28.9 42.0 15.8 63.3 90 92 A L H < S+ 0 0 25 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.746 113.5 43.5 -76.5 -26.7 41.6 17.4 59.9 91 93 A N H < S+ 0 0 80 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.835 137.2 1.5 -85.2 -36.1 45.0 16.1 58.8 92 94 A D < + 0 0 85 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 -0.692 56.8 179.7-156.1 96.9 44.6 12.6 60.3 93 95 A P >> + 0 0 1 0, 0.0 4,-1.6 0, 0.0 3,-1.0 0.624 61.6 95.6 -69.5 -16.0 41.4 11.5 62.0 94 96 A S H 3> S+ 0 0 53 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.861 83.3 44.9 -52.9 -47.2 42.7 8.0 62.7 95 97 A P H 3> S+ 0 0 40 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.767 109.7 58.8 -70.0 -22.2 44.0 8.4 66.3 96 98 A F H <>>S+ 0 0 0 -3,-1.0 4,-1.7 -4,-0.3 5,-0.8 0.898 105.9 47.3 -67.5 -44.4 40.8 10.3 67.2 97 99 A I H X>S+ 0 0 6 -4,-1.6 5,-1.8 3,-0.2 4,-1.1 0.942 117.5 44.2 -58.4 -51.3 38.7 7.4 66.2 98 100 A H H <>S+ 0 0 66 -4,-2.0 5,-1.9 3,-0.2 -2,-0.2 0.959 124.7 28.6 -60.5 -57.9 41.0 5.0 68.2 99 101 A T H <>S+ 0 0 12 -4,-2.7 5,-0.5 3,-0.2 -3,-0.2 0.948 123.6 43.3 -77.1 -45.6 41.5 7.1 71.4 100 102 A N H <5S+ 0 0 2 -4,-1.7 4,-0.3 -5,-0.4 -3,-0.2 0.892 130.7 18.0 -75.6 -39.3 38.3 9.1 71.7 101 103 A F T XS+ 0 0 1 -4,-2.6 5,-1.8 1,-0.2 4,-0.9 0.870 113.1 47.5 -60.7 -40.1 33.8 0.7 84.8 112 114 A R H <5S+ 0 0 84 -4,-2.2 3,-0.3 3,-0.2 -2,-0.2 0.922 110.9 50.6 -68.2 -42.5 30.9 -1.7 84.1 113 115 A K H <5S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 122.0 31.2 -61.6 -45.1 32.8 -4.8 85.0 114 116 A Y H <5S- 0 0 70 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.464 102.7-127.6 -97.7 -3.3 34.0 -3.4 88.4 115 117 A D T <5 + 0 0 99 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.952 55.7 151.1 54.9 53.0 31.0 -1.2 89.1 116 118 A I < - 0 0 15 -5,-1.8 64,-0.5 -6,-0.1 -1,-0.2 -0.772 50.8 -87.7-116.5 162.4 33.0 1.9 89.7 117 119 A R E -de 76 180A 13 -42,-1.4 -40,-2.2 -2,-0.3 2,-0.4 -0.396 39.5-166.0 -66.5 142.5 32.4 5.6 89.2 118 120 A F E -de 77 181A 0 62,-2.6 64,-2.0 -42,-0.2 2,-0.6 -0.985 9.6-170.5-136.3 122.8 33.2 7.2 85.8 119 121 A H E -de 78 182A 0 -42,-2.8 -40,-2.8 -2,-0.4 2,-0.6 -0.960 12.3-154.4-114.4 120.7 33.5 10.8 85.0 120 122 A H E -de 79 183A 0 62,-2.9 64,-2.4 -2,-0.6 2,-0.7 -0.797 6.1-149.7 -95.2 117.7 33.8 11.6 81.3 121 123 A V E + e 0 184A 10 -42,-1.9 2,-0.2 -2,-0.6 64,-0.1 -0.778 31.6 160.7 -91.0 118.7 35.5 14.9 80.6 122 124 A S E - e 0 185A 6 62,-2.6 64,-1.9 -2,-0.7 2,-0.3 -0.566 28.1-110.2-131.6-170.4 34.1 16.5 77.4 123 125 A T E > - e 0 186A 15 62,-0.3 3,-1.3 -2,-0.2 64,-0.2 -0.866 22.1-119.4-132.7 155.4 33.9 19.7 75.5 124 126 A D G > S+ 0 0 0 62,-2.0 3,-1.8 -2,-0.3 4,-0.2 0.666 100.3 82.6 -64.5 -17.9 31.5 22.3 74.4 125 127 A E G > + 0 0 12 61,-0.3 3,-1.8 1,-0.3 31,-0.4 0.709 68.8 78.6 -67.8 -15.3 32.3 21.4 70.8 126 128 A V G < S+ 0 0 0 -3,-1.3 28,-2.4 1,-0.3 -1,-0.3 0.743 89.9 56.8 -62.6 -21.5 29.9 18.6 70.8 127 129 A Y G < S- 0 0 8 -3,-1.8 2,-0.3 1,-0.3 -1,-0.3 0.487 100.5-143.7 -89.3 -3.7 27.1 21.2 70.3 128 130 A G < - 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0 0 45 -2,-0.2 3,-2.0 143,-0.2 145,-0.1 -0.822 50.7 -93.0-129.7 174.8 22.8 24.3 77.7 149 151 A A T 3 S+ 0 0 27 1,-0.3 98,-0.0 -2,-0.3 -2,-0.0 0.715 126.8 56.9 -63.2 -16.1 22.4 20.7 78.8 150 152 A E T 3 S+ 0 0 139 2,-0.1 -1,-0.3 350,-0.0 2,-0.1 0.370 80.3 117.1 -91.3 -4.3 19.4 20.6 76.5 151 153 A T S < S- 0 0 37 -3,-2.0 2,-0.1 1,-0.1 -4,-0.1 -0.487 70.8-108.6 -73.0 140.2 21.2 21.7 73.3 152 154 A N - 0 0 57 -2,-0.1 2,-0.3 346,-0.1 -1,-0.1 -0.343 30.0-112.7 -60.2 141.2 21.4 19.3 70.4 153 155 A Y + 0 0 22 348,-0.2 -26,-0.3 1,-0.1 348,-0.2 -0.616 49.2 154.6 -69.0 135.9 24.6 17.6 69.6 154 156 A N - 0 0 89 -28,-2.4 -25,-0.2 -2,-0.3 -27,-0.2 -0.261 19.3-173.2-160.3 61.0 25.9 18.8 66.2 155 157 A P - 0 0 3 0, 0.0 -29,-0.1 0, 0.0 -30,-0.0 -0.307 12.8-160.0 -70.1 147.0 29.7 18.5 66.1 156 158 A S + 0 0 3 -31,-0.4 368,-0.3 367,-0.1 -30,-0.1 0.679 63.2 42.9 -95.8 -29.5 31.7 19.9 63.1 157 159 A S S > S- 0 0 7 -32,-0.1 4,-2.9 366,-0.1 5,-0.3 -0.740 83.1-104.9-122.0 169.5 35.0 18.1 63.1 158 160 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.906 122.8 50.1 -59.0 -35.9 36.6 14.6 63.4 159 161 A Y H > S+ 0 0 25 -73,-0.2 4,-2.1 2,-0.2 5,-0.2 0.967 115.2 38.3 -61.1 -57.0 37.7 15.8 66.8 160 162 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.840 115.0 55.5 -70.5 -28.8 34.4 17.1 68.1 161 163 A S H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.886 108.3 46.8 -69.6 -38.3 32.5 14.3 66.5 162 164 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.897 113.0 49.9 -73.3 -32.3 34.5 11.6 68.2 163 165 A K H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.950 112.3 47.3 -64.7 -45.6 34.1 13.5 71.5 164 166 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.914 110.7 52.5 -59.9 -43.4 30.4 13.7 70.9 165 167 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.926 108.7 50.5 -59.2 -40.4 30.3 10.0 70.0 166 168 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 107.8 52.4 -67.8 -39.5 32.0 9.1 73.2 167 169 A D H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.907 107.4 54.3 -59.8 -45.6 29.5 11.2 75.2 168 170 A L H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.892 108.7 46.1 -58.1 -42.9 26.7 9.3 73.5 169 171 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.872 109.2 56.1 -71.6 -33.1 28.0 5.8 74.5 170 172 A V H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.960 110.1 45.1 -55.2 -50.0 28.7 7.0 78.1 171 173 A K H X S+ 0 0 43 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.880 113.4 50.0 -66.0 -39.3 25.0 8.0 78.4 172 174 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.872 106.7 54.6 -66.7 -36.0 23.8 4.7 76.8 173 175 A W H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 6,-1.6 0.836 108.3 50.9 -66.2 -32.5 26.0 2.7 79.1 174 176 A V H X S+ 0 0 33 -4,-1.6 4,-1.5 4,-0.3 -2,-0.2 0.954 116.2 39.6 -62.8 -51.8 24.2 4.5 82.0 175 177 A R H < S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 457,-0.2 0.921 125.7 35.0 -67.8 -39.8 20.8 3.7 80.7 176 178 A S H < S+ 0 0 11 -4,-3.1 -3,-0.2 328,-0.3 -1,-0.2 0.835 135.3 16.8 -85.3 -37.0 21.5 0.2 79.6 177 179 A F H < S- 0 0 50 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.427 95.6-115.8-122.4 -4.2 23.9 -1.1 82.1 178 180 A G < + 0 0 45 -4,-1.5 -4,-0.3 -5,-0.4 -3,-0.1 0.764 44.9 177.6 70.7 26.8 23.7 1.3 85.1 179 181 A V - 0 0 6 -6,-1.6 2,-1.9 1,-0.1 -1,-0.2 -0.388 36.8-121.5 -59.7 141.1 27.2 2.6 84.8 180 182 A K E +e 117 0A 74 -64,-0.5 -62,-2.6 -69,-0.2 2,-0.3 -0.463 59.8 151.7 -85.6 69.4 27.9 5.2 87.5 181 183 A A E -e 118 0A 0 -2,-1.9 64,-3.4 -64,-0.2 2,-0.3 -0.738 30.2-178.9-111.7 148.0 28.8 7.9 85.0 182 184 A T E -e 119 0A 0 -64,-2.0 -62,-2.9 -2,-0.3 2,-0.4 -0.933 14.7-148.9-130.5 159.6 28.6 11.6 84.8 183 185 A I E -ef 120 247A 3 63,-2.1 65,-2.6 -2,-0.3 2,-0.4 -0.978 5.2-163.8-127.1 143.8 29.7 13.9 81.9 184 186 A S E -ef 121 248A 0 -64,-2.4 -62,-2.6 -2,-0.4 2,-0.5 -0.981 3.8-162.5-121.8 142.3 31.1 17.4 81.8 185 187 A N E -ef 122 249A 0 63,-2.3 65,-2.4 -2,-0.4 -62,-0.3 -0.962 20.5-174.2-120.8 113.7 31.2 19.7 78.8 186 188 A C E -ef 123 250A 3 -64,-1.9 -62,-2.0 -2,-0.5 -61,-0.3 -0.776 20.5-123.3-113.0 150.6 33.6 22.5 79.3 187 189 A S - 0 0 3 63,-1.8 2,-0.2 -2,-0.3 38,-0.1 -0.103 61.6 -47.0 -77.9-177.6 34.5 25.6 77.3 188 190 A N - 0 0 38 36,-0.3 38,-2.6 1,-0.1 2,-0.2 -0.316 60.6-147.7 -60.9 125.6 38.0 26.4 76.1 189 191 A N E +k 226 0D 11 36,-0.2 2,-0.3 -2,-0.2 38,-0.2 -0.582 17.3 179.6 -90.8 149.9 40.6 26.1 78.8 190 192 A Y E +k 227 0D 2 36,-1.7 38,-2.6 -2,-0.2 39,-0.3 -0.934 26.1 89.3-138.1 165.3 43.8 28.1 79.1 191 193 A G S > S- 0 0 1 -2,-0.3 3,-1.0 36,-0.2 -177,-0.0 -0.862 72.1 -19.9 143.4-171.1 46.6 28.1 81.6 192 194 A P T 3 S+ 0 0 23 0, 0.0 3,-0.1 0, 0.0 -175,-0.1 -0.240 115.9 29.1 -66.9 152.5 50.0 26.7 82.4 193 195 A Y T 3 S+ 0 0 50 1,-0.3 2,-0.3 -177,-0.1 -177,-0.1 0.536 77.9 144.9 75.9 12.8 51.0 23.4 80.8 194 196 A Q < - 0 0 17 -3,-1.0 -1,-0.3 -181,-0.1 2,-0.0 -0.609 58.2-105.9 -79.7 137.8 49.0 23.8 77.6 195 197 A H > - 0 0 20 -2,-0.3 3,-2.1 1,-0.1 7,-0.2 -0.337 25.2-121.4 -63.9 141.5 50.7 22.4 74.5 196 198 A I T 3 S+ 0 0 1 1,-0.3 -1,-0.1 5,-0.2 10,-0.1 0.413 104.0 75.6 -73.8 4.6 52.1 25.0 72.2 197 199 A E T 3 S+ 0 0 12 4,-0.0 -1,-0.3 5,-0.0 2,-0.1 0.700 82.0 88.9 -76.5 -21.6 50.0 23.8 69.3 198 200 A K S <> S- 0 0 36 -3,-2.1 4,-2.7 1,-0.1 5,-0.2 -0.417 92.3-103.6 -81.6 159.1 47.0 25.5 70.9 199 201 A F H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.852 109.3 38.1 -48.9 -64.2 46.0 29.1 70.3 200 202 A I H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.963 121.3 42.0 -62.4 -52.8 47.0 31.0 73.4 201 203 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.866 110.5 58.4 -63.9 -32.5 50.3 29.2 74.1 202 204 A R H X S+ 0 0 6 -4,-2.7 4,-2.2 -7,-0.2 -2,-0.2 0.914 110.4 42.9 -59.2 -44.6 51.3 29.2 70.4 203 205 A Q H X S+ 0 0 3 -4,-1.8 4,-2.2 -3,-0.3 -1,-0.2 0.916 114.9 48.2 -70.9 -45.5 51.0 32.9 70.2 204 206 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.947 116.8 42.2 -57.5 -50.3 52.8 33.6 73.5 205 207 A T H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.805 109.0 58.0 -77.8 -28.1 55.7 31.2 72.7 206 208 A N H X>S+ 0 0 0 -4,-2.2 5,-3.1 -5,-0.3 4,-0.5 0.956 108.7 47.4 -55.0 -49.6 55.9 32.4 69.1 207 209 A I H ><5S+ 0 0 24 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.937 112.2 49.4 -60.9 -43.7 56.5 36.0 70.5 208 210 A L H 3<5S+ 0 0 49 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.840 112.9 47.0 -60.4 -36.3 59.1 34.6 72.9 209 211 A A H 3<5S- 0 0 47 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.385 119.3-108.2 -87.3 0.6 60.8 32.7 70.1 210 212 A G T <<5S+ 0 0 72 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.784 78.3 128.4 77.7 30.3 60.8 35.7 67.8 211 213 A I < - 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