==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JAN-02 1KQG . COMPND 2 MOLECULE: FORMATE DEHYDROGENASE, NITRATE-INDUCIBLE, MAJOR S . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.JORMAKKA,S.TORNROTH,B.BYRNE,S.IWATA . 1487 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 989 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 1 0.1 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 . 91 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 204 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 389 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.5 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 9 5 4 4 3 3 1 1 1 3 2 0 0 1 1 2 0 0 0 1 1 1 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 5 0 3 4 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 . 13 9 9 2 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 ANTIPARALLEL BRIDGES PER LADDER . 11 4 1 1 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 34 A Q 0 0 134 0, 0.0 3,-0.1 0, 0.0 1146,-0.1 0.000 360.0 360.0 360.0 171.2 7.6 93.0 102.8 2 35 A A - 0 0 21 1,-0.1 3,-0.1 1144,-0.1 1109,-0.0 -0.021 360.0 -86.1 -50.7 155.4 7.0 89.3 103.8 3 36 A R - 0 0 102 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.337 58.3 -94.1 -62.4 150.9 5.1 88.3 106.9 4 37 A N - 0 0 119 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.239 48.6 -86.6 -62.8 156.7 7.4 88.2 109.9 5 38 A Y > - 0 0 31 1,-0.1 3,-1.3 -3,-0.1 -1,-0.1 -0.531 40.7-146.1 -66.4 117.7 9.0 84.8 110.9 6 39 A K T 3 S+ 0 0 42 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.533 87.8 49.9 -71.6 -6.9 6.3 83.2 113.1 7 40 A L T > S+ 0 0 9 1,-0.1 3,-1.7 2,-0.1 -1,-0.3 0.287 70.5 116.7-109.0 11.4 8.5 81.4 115.6 8 41 A L T < S+ 0 0 110 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.773 91.7 21.0 -59.3 -32.0 10.9 84.2 116.6 9 42 A R T 3 S+ 0 0 240 -3,-0.2 -1,-0.3 2,-0.1 23,-0.3 0.068 97.4 121.0-126.4 27.6 9.9 84.3 120.3 10 43 A A S < S- 0 0 22 -3,-1.7 2,-0.4 21,-0.1 21,-0.2 -0.504 70.9-102.6 -84.8 160.1 8.4 80.8 120.7 11 44 A K E -A 30 0A 69 19,-2.2 19,-2.3 21,-0.6 2,-0.5 -0.667 35.9-148.2 -81.6 127.3 9.6 78.2 123.1 12 45 A E E -A 29 0A 106 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.833 17.4-176.0-104.1 123.9 11.7 75.6 121.3 13 46 A I E -A 28 0A 11 15,-2.7 15,-2.7 -2,-0.5 2,-0.4 -0.977 21.0-131.6-125.3 136.7 11.6 72.0 122.6 14 47 A R E +A 27 0A 106 -2,-0.4 590,-2.0 13,-0.2 2,-0.2 -0.706 41.2 144.9 -85.2 135.2 13.5 68.9 121.4 15 48 A N E -A 26 0A 6 11,-2.0 11,-3.1 -2,-0.4 2,-0.4 -0.817 40.4-110.2-154.3-175.8 11.5 65.7 120.9 16 49 A T E -A 25 0A 7 -2,-0.2 9,-0.2 9,-0.2 8,-0.1 -0.970 39.7 -93.8-127.1 137.4 11.3 62.6 118.6 17 50 A C - 0 0 13 7,-2.3 6,-0.1 -2,-0.4 45,-0.1 -0.171 29.7-147.4 -47.1 141.5 8.7 61.6 116.0 18 51 A T S S+ 0 0 4 44,-0.0 398,-0.4 5,-0.0 399,-0.2 0.479 75.8 64.7 -92.0 -5.8 6.0 59.4 117.5 19 52 A Y S S+ 0 0 2 396,-0.1 397,-2.0 397,-0.1 398,-0.2 0.936 96.0 13.3 -90.2 -90.8 5.2 57.2 114.5 20 53 A C B > S-C 415 0B 18 395,-0.3 3,-0.7 396,-0.1 395,-0.2 -0.254 76.3-101.4 -87.4 178.3 7.8 54.7 113.0 21 54 A S T 3 S+ 0 0 1 393,-0.9 575,-2.6 392,-0.7 576,-0.4 0.284 94.8 94.4 -86.0 9.2 11.2 53.5 114.3 22 55 A V T 3 S- 0 0 3 392,-0.2 -1,-0.2 573,-0.2 575,-0.2 0.930 80.4-145.4 -61.4 -43.5 13.5 55.7 112.3 23 56 A G < - 0 0 3 -3,-0.7 31,-0.2 1,-0.2 30,-0.1 0.808 20.0-167.6 82.4 36.0 13.5 58.0 115.4 24 57 A C - 0 0 9 -4,-0.1 -7,-2.3 1,-0.1 2,-0.2 -0.188 20.7-115.0 -58.3 137.8 13.7 61.4 113.6 25 58 A G E -A 16 0A 3 23,-0.2 23,-1.8 -9,-0.2 2,-0.3 -0.502 31.0-159.2 -76.4 143.7 14.5 64.4 115.7 26 59 A L E -AB 15 47A 0 -11,-3.1 -11,-2.0 21,-0.3 2,-0.5 -0.889 18.1-155.7-120.7 155.9 12.0 67.1 116.1 27 60 A L E -AB 14 46A 13 19,-2.2 19,-2.2 -2,-0.3 2,-0.3 -0.994 23.6-164.3-129.9 109.4 12.0 70.8 117.1 28 61 A M E -AB 13 45A 0 -15,-2.7 -15,-2.7 -2,-0.5 2,-0.5 -0.814 5.6-147.8-104.3 137.3 8.6 71.7 118.5 29 62 A Y E -AB 12 44A 18 15,-2.7 14,-2.9 -2,-0.3 15,-1.1 -0.964 12.7-168.0-114.3 121.3 7.5 75.4 118.9 30 63 A S E -AB 11 42A 0 -19,-2.3 -19,-2.2 -2,-0.5 2,-0.6 -0.846 26.0-122.0-114.5 142.2 5.1 76.5 121.6 31 64 A L E S+ B 0 41A 120 10,-2.8 10,-1.0 -2,-0.4 2,-0.1 -0.712 86.7 50.6 -77.3 116.8 3.2 79.8 122.1 32 65 A G S S- 0 0 17 -2,-0.6 -21,-0.6 -23,-0.3 -2,-0.2 -0.107 80.4-119.5 125.8 139.3 4.4 81.0 125.5 33 66 A D - 0 0 124 -23,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 0.259 62.6 -90.6 -92.5 17.8 7.9 81.4 127.0 34 67 A G S S+ 0 0 35 1,-0.3 -3,-0.0 4,-0.1 6,-0.0 0.241 78.0 147.7 92.0 -11.3 7.4 79.0 129.9 35 68 A A > - 0 0 50 1,-0.1 3,-1.6 2,-0.1 -1,-0.3 -0.355 59.4-116.0 -56.0 151.7 6.1 81.6 132.4 36 69 A K T 3 S+ 0 0 204 1,-0.3 -1,-0.1 3,-0.1 -2,-0.0 0.817 111.2 55.4 -65.5 -27.6 3.6 80.1 134.8 37 70 A N T 3 S+ 0 0 163 2,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.587 94.6 74.7 -82.9 -12.3 0.7 82.3 133.6 38 71 A A S < S- 0 0 36 -3,-1.6 2,-1.0 0, 0.0 -4,-0.1 -0.880 74.5-144.6-103.2 123.7 1.0 81.3 129.9 39 72 A R - 0 0 148 -2,-0.6 -8,-0.1 568,-0.0 -3,-0.1 -0.710 28.7-123.9 -86.7 105.7 -0.4 77.8 129.1 40 73 A E - 0 0 42 -2,-1.0 568,-0.4 -5,-0.1 2,-0.4 -0.193 29.4-173.1 -49.5 144.7 2.0 76.5 126.4 41 74 A A E -B 31 0A 43 -10,-1.0 -10,-2.8 566,-0.1 2,-0.3 -0.967 23.0-129.6-143.4 118.8 0.4 75.4 123.1 42 75 A I E +B 30 0A 3 -2,-0.4 -12,-0.3 -12,-0.3 3,-0.1 -0.432 34.1 165.0 -67.0 125.4 2.4 73.7 120.3 43 76 A Y E + 0 0 64 -14,-2.9 2,-0.3 1,-0.3 -13,-0.2 0.545 61.0 22.1-124.7 -2.3 1.7 75.5 117.0 44 77 A H E -B 29 0A 6 -15,-1.1 -15,-2.7 2,-0.0 2,-0.4 -0.979 55.0-172.6-159.9 147.2 4.4 74.3 114.7 45 78 A I E +B 28 0A 3 -2,-0.3 2,-0.2 -17,-0.2 -17,-0.2 -0.977 15.0 158.9-142.2 131.5 6.8 71.3 114.5 46 79 A E E -B 27 0A 14 -19,-2.2 -19,-2.2 -2,-0.4 2,-0.1 -0.700 42.9 -72.3-139.8-176.7 9.7 70.8 112.1 47 80 A G E -B 26 0A 2 9,-0.6 -21,-0.3 -21,-0.2 11,-0.1 -0.382 35.4-118.4 -81.9 161.9 12.9 68.7 112.0 48 81 A D > - 0 0 4 -23,-1.8 8,-1.4 9,-0.2 3,-1.4 -0.879 18.9-156.1 -96.6 110.5 16.1 69.0 114.0 49 82 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.765 88.5 58.9 -60.9 -25.2 18.9 69.6 111.6 50 83 A D T 3 S+ 0 0 84 5,-0.1 -2,-0.0 -3,-0.1 3,-0.0 0.674 74.8 110.4 -83.1 -11.0 21.6 68.2 114.0 51 84 A H <> - 0 0 4 -3,-1.4 4,-2.0 1,-0.2 669,-0.0 -0.426 64.8-143.9 -65.9 129.7 20.0 64.8 114.4 52 85 A P T 4 S+ 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -28,-0.1 0.798 93.1 43.1 -67.9 -34.7 22.3 62.3 112.6 53 86 A V T 4 S+ 0 0 0 -30,-0.1 -29,-0.1 1,-0.1 157,-0.1 0.934 129.8 21.6 -78.8 -47.5 19.7 60.0 111.2 54 87 A S T >4 S- 0 0 0 -31,-0.2 3,-2.2 -6,-0.1 -30,-0.1 0.753 77.0-160.9 -94.5 -26.2 17.1 62.6 110.0 55 88 A R T 3< S- 0 0 143 -4,-2.0 3,-0.1 1,-0.3 -5,-0.1 0.866 79.6 -43.2 50.7 43.3 19.3 65.7 109.6 56 89 A G T 3 S+ 0 0 1 -8,-1.4 -9,-0.6 1,-0.3 -1,-0.3 0.189 109.5 126.4 92.4 -19.0 16.2 67.9 109.6 57 90 A A < - 0 0 0 -3,-2.2 2,-0.3 -9,-0.2 -1,-0.3 -0.347 32.0-179.8 -78.2 151.1 14.0 65.8 107.3 58 91 A L - 0 0 3 1102,-2.3 972,-0.1 -11,-0.1 -11,-0.1 -0.917 21.4-133.7-150.4 130.1 10.5 64.6 108.2 59 92 A C > - 0 0 13 -2,-0.3 4,-3.3 1102,-0.1 5,-0.2 -0.108 48.0 -82.2 -74.1-179.1 8.2 62.4 106.1 60 93 A P H > S+ 0 0 0 0, 0.0 4,-0.7 0, 0.0 806,-0.1 0.814 131.0 52.5 -64.6 -22.3 4.5 63.4 105.7 61 94 A K H >4 S+ 0 0 7 804,-0.3 3,-0.9 2,-0.2 4,-0.2 0.984 115.4 36.7 -75.3 -52.9 3.7 61.7 109.0 62 95 A G H >4 S+ 0 0 2 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.892 115.9 55.7 -68.3 -35.8 6.3 63.5 111.1 63 96 A A H 3< S+ 0 0 4 -4,-3.3 -1,-0.3 1,-0.3 3,-0.2 0.747 109.4 48.2 -69.5 -20.8 5.8 66.7 109.1 64 97 A G T X< S+ 0 0 0 -3,-0.9 3,-1.6 -4,-0.7 4,-0.4 0.225 73.1 115.6 -99.5 11.7 2.1 66.6 110.0 65 98 A L T X> + 0 0 0 -3,-1.6 4,-2.7 1,-0.3 3,-1.9 0.782 64.9 69.3 -50.8 -37.2 2.5 66.0 113.8 66 99 A L H 3> S+ 0 0 15 1,-0.3 4,-2.0 -3,-0.2 -1,-0.3 0.889 97.6 52.0 -51.9 -42.7 0.9 69.3 114.7 67 100 A D H <4 S+ 0 0 20 -3,-1.6 809,-0.4 2,-0.2 -1,-0.3 0.628 111.1 47.0 -70.2 -16.1 -2.5 68.0 113.4 68 101 A Y H X4 S+ 0 0 7 -3,-1.9 3,-1.9 -4,-0.4 -2,-0.2 0.835 112.3 48.4 -88.0 -50.5 -2.2 64.9 115.5 69 102 A V H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.875 125.7 31.1 -52.1 -44.2 -1.2 66.8 118.7 70 103 A N T 3< S+ 0 0 76 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.001 88.7 149.3-105.4 18.3 -4.1 69.2 118.1 71 104 A S X - 0 0 11 -3,-1.9 3,-1.9 1,-0.1 804,-0.1 -0.213 56.1-126.6 -52.4 146.3 -6.5 66.8 116.4 72 105 A E T 3 S+ 0 0 171 802,-0.3 -1,-0.1 1,-0.3 803,-0.1 0.781 109.9 61.3 -64.6 -22.1 -10.2 67.4 116.9 73 106 A N T 3 S+ 0 0 40 801,-0.5 480,-1.6 480,-0.1 -1,-0.3 0.141 70.6 131.3 -94.1 18.6 -10.4 63.8 118.1 74 107 A R B < -D 552 0C 20 -3,-1.9 2,-0.3 478,-0.2 478,-0.3 -0.449 63.8-115.3 -65.5 143.2 -8.0 64.2 121.0 75 108 A L + 0 0 4 476,-1.9 538,-0.2 508,-0.2 -1,-0.1 -0.660 37.7 173.3 -82.1 138.7 -9.6 62.7 124.2 76 109 A R + 0 0 114 -2,-0.3 536,-2.6 1,-0.3 -1,-0.1 0.659 55.0 26.0-112.8 -45.9 -10.3 65.2 127.0 77 110 A Y S S- 0 0 64 534,-0.2 -1,-0.3 535,-0.1 15,-0.1 -0.971 82.8 -94.6-129.1 152.2 -12.2 63.5 129.8 78 111 A P - 0 0 0 0, 0.0 13,-2.4 0, 0.0 2,-0.3 -0.378 50.5-168.7 -60.0 129.9 -12.7 60.1 131.4 79 112 A E E -EF 90 580D 42 501,-2.2 501,-2.9 11,-0.3 2,-0.4 -0.939 11.2-156.6-127.6 149.9 -15.8 58.6 129.7 80 113 A Y E -EF 89 579D 29 9,-2.6 9,-2.4 -2,-0.3 2,-0.6 -0.993 6.0-157.7-131.3 136.5 -17.9 55.6 130.5 81 114 A R E - F 0 578D 0 497,-2.6 497,-2.1 -2,-0.4 7,-0.1 -0.959 21.9-143.4-115.3 116.1 -20.3 53.5 128.3 82 115 A A > - 0 0 32 -2,-0.6 3,-2.6 5,-0.5 5,-0.1 -0.382 37.3 -74.3 -79.4 156.6 -22.9 51.5 130.4 83 116 A P T 3 S+ 0 0 58 0, 0.0 492,-0.3 0, 0.0 -1,-0.1 -0.242 118.5 1.7 -55.1 131.3 -24.1 48.0 129.5 84 117 A G T 3 S+ 0 0 25 490,-2.5 491,-0.1 487,-0.2 2,-0.1 0.428 101.7 136.1 66.0 9.5 -26.4 48.2 126.5 85 118 A S < - 0 0 22 -3,-2.6 -1,-0.2 489,-0.1 489,-0.1 -0.422 49.5-154.0 -82.8 158.8 -26.0 51.9 126.1 86 119 A D S S+ 0 0 109 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.050 73.1 57.4-117.0 20.0 -25.5 53.9 122.9 87 120 A K S S- 0 0 123 -5,-0.1 -5,-0.5 -7,-0.0 2,-0.3 -0.979 74.9-116.5-151.0 159.0 -23.7 56.9 124.4 88 121 A W - 0 0 45 -2,-0.3 2,-0.4 -7,-0.1 -7,-0.2 -0.691 23.1-153.9 -87.5 150.2 -20.7 57.9 126.5 89 122 A Q E -E 80 0D 115 -9,-2.4 -9,-2.6 -2,-0.3 2,-0.2 -0.992 19.4-123.2-124.4 128.1 -21.1 59.5 129.9 90 123 A R E +E 79 0D 116 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.3 -0.487 36.9 176.3 -70.1 128.7 -18.5 61.9 131.3 91 124 A I - 0 0 7 -13,-2.4 2,-0.1 -2,-0.2 -1,-0.0 -0.886 29.8-100.2-127.0 169.7 -17.1 60.8 134.7 92 125 A S > - 0 0 46 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.444 31.0-112.6 -84.8 164.6 -14.4 62.0 137.1 93 126 A W H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.907 119.0 52.7 -60.8 -44.3 -10.9 60.5 137.4 94 127 A E H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 109.7 48.1 -64.3 -33.5 -11.8 59.3 140.9 95 128 A E H > S+ 0 0 78 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.928 112.2 49.0 -69.0 -44.7 -14.9 57.6 139.7 96 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.975 113.6 47.4 -56.8 -50.5 -13.1 55.9 136.8 97 130 A F H X S+ 0 0 2 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.946 115.3 44.0 -59.0 -47.9 -10.3 54.7 139.2 98 131 A S H X S+ 0 0 54 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.924 115.1 47.5 -68.2 -40.2 -12.7 53.4 141.9 99 132 A R H X S+ 0 0 84 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.873 114.7 46.1 -66.6 -40.6 -15.1 51.6 139.4 100 133 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 5,-0.3 0.952 112.6 50.4 -67.6 -42.1 -12.2 50.0 137.5 101 134 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.4 5,-0.2 0.943 110.2 50.1 -63.3 -43.3 -10.5 48.9 140.7 102 135 A K H X S+ 0 0 159 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.938 112.2 47.0 -58.5 -46.3 -13.7 47.3 142.0 103 136 A L H X S+ 0 0 42 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.941 114.6 47.4 -61.6 -43.2 -14.3 45.4 138.7 104 137 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.925 111.9 49.0 -65.3 -45.4 -10.7 44.2 138.7 105 138 A K H X S+ 0 0 6 -4,-2.6 4,-3.1 -5,-0.3 5,-0.3 0.951 110.3 50.1 -63.7 -46.4 -10.7 43.1 142.3 106 139 A A H X S+ 0 0 63 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.934 115.6 43.8 -57.0 -48.1 -14.0 41.2 142.0 107 140 A D H X S+ 0 0 10 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.865 114.7 48.3 -65.7 -35.3 -12.6 39.4 138.9 108 141 A R H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.915 111.8 50.0 -73.8 -37.0 -9.2 38.7 140.4 109 142 A D H < S+ 0 0 34 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.903 114.6 44.8 -71.9 -31.9 -10.7 37.4 143.6 110 143 A A H < S+ 0 0 69 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.921 128.7 21.6 -70.7 -48.0 -13.0 35.1 141.7 111 144 A N H < S+ 0 0 67 -4,-2.6 15,-0.3 -5,-0.1 -2,-0.2 0.494 78.8 127.8-109.2 0.8 -10.4 33.7 139.2 112 145 A F < - 0 0 11 -4,-2.6 2,-0.7 -5,-0.2 13,-0.2 -0.350 48.5-144.7 -57.6 135.8 -6.9 34.1 140.5 113 146 A I E +K 124 0E 56 11,-3.1 11,-2.5 1,-0.2 9,-0.2 -0.911 24.8 171.5-105.8 102.9 -5.0 30.8 140.4 114 147 A E E S+ 0 0 102 -2,-0.7 8,-3.2 9,-0.2 9,-1.6 0.931 70.2 21.7 -72.8 -50.8 -2.6 30.4 143.4 115 148 A K E S-K 121 0E 121 6,-0.3 6,-0.2 7,-0.2 -1,-0.2 -0.947 73.1-134.1-122.5 146.8 -1.6 26.7 142.8 116 149 A N > - 0 0 16 4,-2.1 3,-2.0 -2,-0.3 7,-0.0 -0.254 41.4 -91.5 -88.0 178.3 -1.7 24.5 139.7 117 150 A E T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.711 125.3 58.0 -66.4 -16.9 -3.1 20.9 139.6 118 151 A Q T 3 S- 0 0 139 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.248 121.5-104.5 -94.8 10.5 0.4 19.5 140.3 119 152 A G S < S+ 0 0 57 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.414 73.8 138.7 84.1 2.2 0.6 21.5 143.6 120 153 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91.7 344 377 A E H X5S+ 0 0 73 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.940 113.3 50.3 -60.7 -42.4 9.9 30.6 88.5 345 378 A N H <5S+ 0 0 64 -4,-3.0 585,-2.0 -5,-0.2 -1,-0.2 0.901 123.5 26.9 -65.5 -39.3 7.2 27.9 88.9 346 379 A I H <5S+ 0 0 1 -4,-2.4 -2,-0.2 583,-0.2 -3,-0.2 0.834 130.4 34.7 -90.0 -42.5 6.3 28.7 92.6 347 380 A C H <5S- 0 0 0 -4,-2.8 -104,-1.1 -5,-0.4 -3,-0.2 0.725 93.6-132.9 -83.9 -28.0 7.2 32.4 93.0 348 381 A G << + 0 0 6 -4,-1.0 580,-0.4 -5,-0.9 -4,-0.2 0.510 56.1 145.1 85.9 2.8 6.2 33.5 89.5 349 382 A T - 0 0 0 -6,-0.6 -1,-0.3 578,-0.1 -2,-0.1 -0.649 55.8-115.9 -79.9 118.4 9.5 35.4 89.2 350 383 A P >> - 0 0 49 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.228 19.5-123.4 -49.0 138.0 10.8 35.3 85.7 351 384 A K H 3> S+ 0 0 88 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.860 110.6 56.8 -54.0 -38.5 14.2 33.4 85.5 352 385 A A H 3> S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.900 110.5 43.1 -64.9 -41.8 15.8 36.4 83.9 353 386 A D H <> S+ 0 0 38 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.902 113.1 52.3 -66.1 -43.1 14.9 38.7 86.8 354 387 A F H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.891 108.9 51.8 -61.5 -37.1 15.8 36.0 89.3 355 388 A L H X S+ 0 0 78 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.907 105.3 53.5 -64.9 -44.5 19.2 35.7 87.6 356 389 A K H X S+ 0 0 91 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.972 111.6 46.3 -56.3 -49.9 19.9 39.4 87.8 357 390 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.930 112.4 50.2 -58.5 -46.4 19.2 39.4 91.6 358 391 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.916 111.1 49.0 -59.7 -45.5 21.4 36.3 92.1 359 392 A E H X S+ 0 0 96 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.972 112.8 46.1 -61.6 -50.7 24.3 37.8 90.2 360 393 A V H >< S+ 0 0 29 -4,-2.3 3,-0.8 -5,-0.2 4,-0.5 0.950 114.8 46.8 -59.1 -47.1 24.3 41.1 92.1 361 394 A L H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.897 110.0 55.9 -59.9 -40.9 24.0 39.4 95.5 362 395 A A H >< S+ 0 0 3 -4,-2.6 3,-1.9 1,-0.3 -1,-0.3 0.829 94.0 66.5 -64.3 -29.0 26.8 37.1 94.4 363 396 A S G X< S+ 0 0 45 -4,-1.8 3,-0.7 -3,-0.8 -1,-0.3 0.713 93.0 63.0 -64.5 -19.6 29.1 40.0 93.7 364 397 A T G < S+ 0 0 0 -3,-2.1 -1,-0.3 -4,-0.5 5,-0.2 0.171 74.3 89.4 -91.7 19.9 29.1 40.8 97.5 365 398 A S G < + 0 0 15 -3,-1.9 -1,-0.2 5,-0.1 -2,-0.1 0.727 66.4 100.4 -84.9 -18.2 30.7 37.5 98.4 366 399 A A S X S- 0 0 35 -3,-0.7 3,-1.4 -4,-0.2 -101,-0.1 -0.259 88.0-120.9 -58.8 146.4 34.0 39.4 98.0 367 400 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 391,-0.1 0.866 109.9 47.8 -62.2 -35.4 35.4 40.4 101.4 368 401 A D T 3 S+ 0 0 85 389,-0.0 2,-0.3 2,-0.0 391,-0.1 0.034 102.1 69.2 -99.3 28.9 35.3 44.1 100.5 369 402 A R < - 0 0 78 -3,-1.4 2,-0.3 -5,-0.2 -179,-0.1 -0.985 63.6-169.4-136.3 140.5 31.7 44.3 99.1 370 403 A T - 0 0 0 -2,-0.3 -179,-1.9 -181,-0.2 -178,-1.3 -0.984 17.9-151.9-134.7 155.4 28.6 44.0 101.1 371 404 A T E -n 192 0G 0 -2,-0.3 2,-0.4 -7,-0.2 -178,-0.2 -0.873 13.9-159.5-111.9 148.4 24.8 43.6 100.8 372 405 A T E -n 193 0G 0 -180,-1.8 -178,-2.7 -2,-0.4 2,-0.5 -0.985 10.4-142.6-124.5 138.2 22.5 45.0 103.4 373 406 A F E -np 194 409G 1 35,-1.3 37,-2.3 -2,-0.4 2,-0.6 -0.910 10.6-166.5-100.9 130.0 19.0 43.6 103.7 374 407 A L E +np 195 410G 2 -180,-3.2 -178,-0.8 -2,-0.5 2,-0.3 -0.973 29.9 142.5-114.1 113.6 16.1 46.0 104.6 375 408 A Y E + p 0 411G 1 35,-1.7 37,-2.5 -2,-0.6 -177,-0.3 -0.903 17.1 151.5-142.7 167.2 12.9 44.1 105.6 376 409 A A S >> S- 0 0 12 -179,-2.9 4,-1.9 -2,-0.3 3,-1.2 -0.325 71.6 -3.3-151.6-108.5 9.9 44.0 107.9 377 410 A L H 3> S+ 0 0 18 1,-0.3 4,-2.4 2,-0.3 -179,-0.2 0.697 111.2 74.4 -72.9 -27.8 6.3 42.6 107.5 378 411 A G H 34 S+ 0 0 22 -181,-0.9 -133,-0.3 1,-0.2 -1,-0.3 0.684 116.2 28.1 -54.7 -29.1 6.4 41.4 103.8 379 412 A W H <4 S+ 0 0 0 -3,-1.2 9,-0.3 -182,-1.0 -2,-0.3 0.746 123.1 48.0 -97.2 -37.0 8.6 38.6 105.5 380 413 A T H < S+ 0 0 0 -4,-1.9 2,-2.0 -183,-0.3 5,-0.3 0.851 91.5 74.7 -77.9 -34.0 7.2 38.4 109.1 381 414 A Q S < S+ 0 0 11 -4,-2.4 592,-1.6 4,-0.1 2,-0.3 -0.393 80.6 90.8 -83.3 61.1 3.4 38.2 108.6 382 415 A H S > S- 0 0 2 -2,-2.0 3,-1.8 -3,-0.2 4,-0.3 -0.961 87.6-109.5-141.3 166.9 3.2 34.7 107.4 383 416 A T T 3 S+ 0 0 0 1,-0.3 582,-1.6 -2,-0.3 583,-0.1 0.707 129.0 37.9 -74.3 -14.2 2.7 31.2 108.8 384 417 A V T 3> S+ 0 0 5 580,-0.2 4,-2.1 433,-0.1 3,-0.4 0.048 81.9 127.9-116.6 22.6 6.3 30.7 107.8 385 418 A G H <> S+ 0 0 0 -3,-1.8 4,-1.7 -5,-0.3 3,-0.5 0.908 72.0 47.8 -42.3 -57.3 7.4 34.2 108.8 386 419 A A H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.872 111.7 51.6 -56.4 -36.6 10.3 33.1 111.0 387 420 A Q H > S+ 0 0 2 -3,-0.4 4,-2.0 2,-0.2 -1,-0.3 0.892 101.8 59.8 -74.9 -31.0 11.6 30.8 108.3 388 421 A N H X S+ 0 0 0 -4,-2.1 4,-1.6 -3,-0.5 -1,-0.2 0.965 110.1 44.0 -54.8 -48.8 11.5 33.6 105.7 389 422 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.936 107.1 58.4 -67.1 -39.7 14.0 35.5 107.9 390 423 A R H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.897 104.5 52.9 -57.1 -42.0 16.2 32.4 108.6 391 424 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.908 110.6 44.9 -63.6 -41.4 16.7 32.0 104.9 392 425 A M H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.925 111.4 53.4 -67.7 -41.6 17.9 35.6 104.4 393 426 A A H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.834 106.6 53.3 -58.8 -41.5 20.1 35.5 107.5 394 427 A M H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 3,-0.3 0.893 106.0 53.5 -62.5 -41.9 21.8 32.3 106.1 395 428 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.925 106.9 50.9 -56.3 -45.9 22.5 34.2 102.9 396 429 A Q H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 6,-0.6 0.825 109.7 51.1 -64.0 -31.1 24.2 37.0 104.8 397 430 A L H ><5S+ 0 0 0 -4,-1.3 3,-1.1 -3,-0.3 -1,-0.2 0.941 109.9 49.3 -74.1 -39.0 26.4 34.4 106.6 398 431 A L H 3<5S+ 0 0 0 -4,-2.5 -133,-2.6 1,-0.3 -129,-0.2 0.911 113.0 46.7 -63.1 -42.1 27.5 32.8 103.3 399 432 A L T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -135,-0.2 -2,-0.2 0.424 109.8-124.1 -72.2 -9.5 28.4 36.2 101.8 400 433 A G T < 5S+ 0 0 3 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.847 70.1 130.2 64.8 38.9 30.4 37.2 105.0 401 434 A N > < + 0 0 1 -5,-2.1 7,-2.3 -6,-0.1 3,-1.0 0.398 31.9 104.4-101.5 -4.0 28.3 40.4 105.5 402 435 A M T 3 S+ 0 0 0 -6,-0.6 3,-0.1 1,-0.2 344,-0.1 -0.558 86.3 21.0 -80.2 143.1 27.3 40.2 109.2 403 436 A G T 3 S+ 0 0 0 342,-0.3 347,-0.3 1,-0.3 2,-0.3 0.377 100.6 121.8 83.9 -3.6 29.3 42.5 111.5 404 437 A M S X S- 0 0 2 -3,-1.0 3,-2.1 345,-0.1 2,-0.3 -0.661 71.2-112.6 -95.7 150.0 30.3 44.8 108.6 405 438 A A T 3 S+ 0 0 0 357,-0.3 3,-0.1 -2,-0.3 -218,-0.1 -0.582 111.5 18.9 -71.0 126.7 29.6 48.4 108.0 406 439 A G T 3 S+ 0 0 0 1,-0.3 -215,-0.4 -2,-0.3 -214,-0.3 0.474 121.8 72.9 87.2 4.0 27.2 48.6 105.1 407 440 A G < + 0 0 0 -3,-2.1 -1,-0.3 -217,-0.1 -5,-0.2 -0.028 55.7 86.2-119.7-137.5 26.2 44.9 105.7 408 441 A G S S- 0 0 0 -7,-2.3 -35,-1.3 -37,-0.1 2,-0.6 -0.012 82.5 -62.9 70.8-171.4 24.1 43.1 108.3 409 442 A V E -p 373 0G 0 -37,-0.2 -228,-2.2 -230,-0.1 2,-1.5 -0.932 39.7-164.3-114.6 102.0 20.3 42.5 108.7 410 443 A N E -p 374 0G 0 -37,-2.3 -35,-1.7 -2,-0.6 2,-1.1 -0.687 8.3-177.0 -90.8 83.2 18.4 45.7 109.0 411 444 A A E -p 375 0G 0 -2,-1.5 2,-0.7 -37,-0.2 -231,-0.3 -0.787 25.3-140.6 -74.1 96.9 15.1 44.3 110.3 412 445 A L - 0 0 3 -37,-2.5 -390,-0.1 -2,-1.1 -2,-0.1 -0.611 12.7-140.4 -74.5 111.1 13.3 47.6 110.3 413 446 A R - 0 0 6 -2,-0.7 -392,-0.7 -392,-0.1 183,-0.1 -0.174 7.2-143.0 -63.1 164.3 11.0 47.9 113.4 414 447 A G + 0 0 24 -394,-0.2 -393,-0.9 -393,-0.1 -392,-0.2 0.855 67.5 47.2 -95.0 -94.0 7.6 49.5 113.3 415 448 A H B >> S-C 20 0B 19 -395,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.176 88.0-106.8 -53.4 153.9 6.2 51.6 116.1 416 449 A S T 34 S+ 0 0 4 -397,-2.0 -281,-0.2 -398,-0.4 4,-0.1 0.814 117.4 21.4 -50.8 -41.4 8.5 54.3 117.6 417 450 A N T 3> S+ 0 0 0 -283,-1.8 4,-2.4 -398,-0.2 -1,-0.3 0.109 82.8 111.7-126.7 29.9 9.0 52.2 120.7 418 451 A I H <> S+ 0 0 3 -3,-1.7 4,-2.1 1,-0.2 5,-0.2 0.904 83.1 55.9 -66.3 -32.6 8.2 48.7 119.8 419 452 A Q H X S+ 0 0 1 175,-0.6 4,-2.3 -4,-0.5 -1,-0.2 0.919 108.5 46.1 -65.8 -41.3 11.9 48.0 120.3 420 453 A G H > S+ 0 0 0 174,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.896 112.2 49.6 -67.3 -40.1 11.8 49.3 123.9 421 454 A L H <>S+ 0 0 1 -4,-2.4 5,-2.4 2,-0.2 4,-0.3 0.808 112.8 47.5 -69.2 -30.5 8.6 47.4 124.8 422 455 A T H ><5S+ 0 0 11 -4,-2.1 3,-1.5 -5,-0.2 12,-0.3 0.937 112.3 50.2 -69.3 -43.4 10.2 44.2 123.4 423 456 A D H 3<5S+ 0 0 0 -4,-2.3 10,-2.7 1,-0.3 11,-0.5 0.887 110.7 49.1 -59.8 -38.8 13.3 45.0 125.3 424 457 A L T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 8,-0.3 -2,-0.2 0.511 116.7-117.7 -80.3 1.4 11.2 45.6 128.6 425 458 A G T < 5 + 0 0 2 -3,-1.5 2,-1.9 -4,-0.3 -3,-0.2 0.773 51.9 162.5 68.8 37.7 9.5 42.2 127.9 426 459 A L < + 0 0 0 -5,-2.4 -268,-0.4 3,-0.1 2,-0.3 -0.419 44.9 106.5 -86.6 60.6 5.8 43.3 127.5 427 460 A L S > S- 0 0 28 -2,-1.9 3,-1.7 -270,-0.3 -270,-0.2 -0.960 88.2 -93.2-135.3 142.5 5.1 39.9 125.8 428 461 A S T 3 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.3 -271,-0.1 0.850 118.7 19.0 -27.1 -67.9 3.1 37.0 127.4 429 462 A T T 3 S+ 0 0 27 -3,-0.1 8,-3.0 7,-0.0 -1,-0.3 0.359 105.0 109.7 -98.4 12.7 6.0 35.0 129.0 430 463 A S E < -X 436 0O 29 -3,-1.7 6,-0.2 6,-0.2 -3,-0.1 -0.438 42.7-168.4 -87.9 158.5 8.7 37.7 129.0 431 464 A L E >> -X 435 0O 0 4,-2.3 4,-0.6 -2,-0.2 3,-0.6 -0.867 48.5 -70.0-128.6 165.7 10.5 39.7 131.6 432 465 A P G >4 S+ 0 0 2 0, 0.0 3,-0.6 0, 0.0 -8,-0.3 -0.143 114.4 29.3 -58.4 150.3 12.8 42.7 131.0 433 466 A G G 34 S- 0 0 0 -10,-2.7 -9,-0.1 1,-0.2 -10,-0.1 0.768 132.1 -65.0 70.1 31.9 16.1 42.2 129.3 434 467 A Y G <4 S+ 0 0 65 -3,-0.6 -1,-0.2 -11,-0.5 2,-0.1 0.692 97.8 141.7 62.3 20.5 15.1 39.1 127.3 435 468 A L E << -X 431 0O 2 -3,-0.6 -4,-2.3 -4,-0.6 2,-0.4 -0.414 44.4-129.4 -83.9 165.2 14.6 37.2 130.6 436 469 A T E -X 430 0O 43 -6,-0.2 -6,-0.2 -2,-0.1 3,-0.1 -0.936 11.7-115.4-123.9 139.1 11.8 34.7 130.8 437 470 A L - 0 0 1 -8,-3.0 2,-0.1 -2,-0.4 60,-0.1 -0.342 51.0 -92.5 -60.9 155.1 9.0 34.2 133.4 438 471 A P - 0 0 0 0, 0.0 60,-1.5 0, 0.0 2,-0.2 -0.509 37.5-128.4 -68.2 141.6 9.3 30.8 135.2 439 472 A S B > -y 498 0P 14 58,-0.2 3,-1.6 -2,-0.1 60,-0.2 -0.486 26.3-109.3 -80.9 164.1 7.3 28.0 133.6 440 473 A E T 3 S+ 0 0 30 58,-2.9 59,-0.1 1,-0.3 -324,-0.1 0.654 117.0 62.1 -77.5 -8.6 5.0 26.1 136.0 441 474 A K T 3 S+ 0 0 180 57,-0.3 2,-1.3 1,-0.1 -1,-0.3 0.638 83.3 83.7 -78.4 -18.7 7.3 23.0 135.8 442 475 A Q < + 0 0 32 -3,-1.6 -1,-0.1 1,-0.2 6,-0.1 -0.686 59.6 177.9 -86.1 90.0 10.3 25.0 137.3 443 476 A V + 0 0 78 -2,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.662 57.4 24.5 -77.8 -14.8 9.3 24.5 140.9 444 477 A D S > S- 0 0 70 -3,-0.1 4,-2.3 1,-0.1 3,-0.5 -0.976 84.3 -99.6-146.0 168.9 12.3 26.3 142.5 445 478 A L H > S+ 0 0 18 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.883 118.1 54.5 -50.2 -44.7 14.9 29.0 141.8 446 479 A Q H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 109.2 46.1 -61.4 -40.9 17.6 26.4 141.0 447 480 A S H > S+ 0 0 39 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.937 113.0 51.6 -62.0 -45.8 15.5 24.7 138.4 448 481 A Y H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.904 111.9 45.1 -60.4 -44.2 14.5 28.0 136.8 449 482 A L H X S+ 0 0 31 -4,-3.1 4,-1.4 1,-0.2 3,-0.5 0.931 111.1 52.8 -69.7 -40.5 18.1 29.3 136.6 450 483 A E H >< S+ 0 0 127 -4,-2.2 3,-0.6 -5,-0.3 -1,-0.2 0.927 108.6 50.3 -62.8 -42.7 19.4 26.0 135.2 451 484 A A H 3< S+ 0 0 61 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.806 117.6 39.7 -62.8 -31.8 16.7 26.0 132.4 452 485 A N H 3< S+ 0 0 38 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.471 99.6 78.9 -99.7 -2.1 17.6 29.6 131.4 453 486 A T S << S- 0 0 40 -4,-1.4 13,-0.2 -3,-0.6 2,-0.2 -0.876 75.8-145.3-109.7 99.2 21.4 29.5 131.7 454 487 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 14,-0.1 -0.418 6.0-130.8 -72.4 141.7 22.9 27.7 128.7 455 488 A K - 0 0 148 -2,-0.2 8,-0.0 1,-0.1 10,-0.0 -0.682 35.8-100.2 -88.7 147.7 25.9 25.5 128.8 456 489 A A - 0 0 25 -2,-0.3 341,-0.2 1,-0.1 3,-0.1 -0.352 26.5-159.9 -65.2 142.0 28.7 26.3 126.2 457 490 A T S S+ 0 0 36 339,-1.8 -142,-3.0 1,-0.1 2,-0.3 0.346 77.8 33.1-111.0 5.1 28.5 23.9 123.2 458 491 A L S S- 0 0 14 338,-0.9 3,-0.5 -144,-0.2 -1,-0.1 -0.961 94.2-102.6-148.0 151.6 32.1 24.6 122.1 459 492 A A S S+ 0 0 38 -2,-0.3 -2,-0.1 1,-0.2 -145,-0.0 -0.424 96.1 26.9 -76.4 157.7 35.1 25.4 124.3 460 493 A D S S+ 0 0 106 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.832 84.7 141.4 64.1 37.7 36.6 28.9 124.6 461 494 A Q - 0 0 30 -3,-0.5 -1,-0.2 328,-0.2 328,-0.1 -0.786 58.1-133.1-109.8 155.7 33.4 30.8 123.9 462 495 A V + 0 0 44 328,-0.3 4,-0.2 -2,-0.3 -1,-0.1 0.911 33.0 176.9 -67.9 -45.6 32.1 34.0 125.6 463 496 A N > - 0 0 12 332,-0.5 3,-2.1 329,-0.2 331,-0.2 0.915 8.8-171.9 40.7 60.7 28.6 32.4 126.0 464 497 A Y G > S+ 0 0 52 329,-2.3 3,-2.4 1,-0.3 330,-0.2 0.776 70.5 75.0 -62.4 -23.2 27.4 35.6 127.8 465 498 A W G > S+ 0 0 48 1,-0.3 3,-2.2 328,-0.2 -1,-0.3 0.641 72.2 86.1 -67.6 -3.9 24.0 34.1 128.8 466 499 A S G < S+ 0 0 54 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.685 81.1 64.9 -62.6 -19.3 26.0 32.1 131.4 467 500 A N G X> + 0 0 24 -3,-2.4 3,-2.1 1,-0.2 4,-1.3 0.423 66.8 117.7 -84.3 7.1 25.5 35.4 133.4 468 501 A Y H <> + 0 0 5 -3,-2.2 4,-2.5 1,-0.3 -1,-0.2 0.798 68.1 57.0 -44.8 -45.6 21.7 34.9 133.5 469 502 A P H 3> S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.823 102.3 54.0 -62.7 -28.9 21.5 34.6 137.3 470 503 A K H <> S+ 0 0 63 -3,-2.1 4,-2.0 2,-0.2 224,-0.3 0.957 112.3 45.2 -69.6 -41.5 23.1 38.1 137.9 471 504 A F H X S+ 0 0 3 -4,-1.3 4,-2.2 2,-0.2 230,-0.2 0.907 115.0 47.8 -66.8 -40.6 20.5 39.6 135.6 472 505 A F H X S+ 0 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575 A K T < S+ 0 0 92 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.579 82.7 107.3 -88.8 -6.4 -18.5 39.1 125.4 543 576 A L < - 0 0 2 -3,-2.4 -26,-0.2 -4,-0.3 -25,-0.2 -0.475 61.1-151.8 -68.1 142.2 -16.3 41.1 127.7 544 577 A K S S+ 0 0 132 -27,-2.0 33,-2.5 1,-0.2 2,-0.3 0.781 81.9 8.4 -78.8 -30.1 -17.8 42.3 131.0 545 578 A Y E -ij 518 577D 1 -28,-1.7 -26,-1.2 31,-0.2 2,-0.3 -0.995 59.6-171.8-153.5 145.6 -15.4 45.3 131.1 546 579 A M E -ij 519 578D 0 31,-2.2 33,-2.5 -2,-0.3 2,-0.5 -0.989 7.9-159.4-139.1 136.1 -12.8 47.1 128.8 547 580 A V E -ij 520 579D 0 -28,-2.2 -26,-2.8 -2,-0.3 2,-0.4 -0.995 8.7-169.0-119.8 117.0 -10.4 49.9 129.7 548 581 A V E -ij 521 580D 3 31,-3.1 33,-3.2 -2,-0.5 2,-0.4 -0.948 2.7-172.7-105.2 131.6 -9.0 51.9 126.8 549 582 A I E +ij 522 581D 3 -28,-1.9 -26,-2.7 -2,-0.4 -25,-0.2 -0.998 31.1 121.6-124.0 120.7 -6.1 54.4 127.5 550 583 A D E - j 0 582D 17 31,-1.5 33,-1.7 -2,-0.4 -475,-0.1 -0.960 64.7-121.3-170.6 157.4 -5.2 56.6 124.5 551 584 A P S S+ 0 0 14 0, 0.0 -476,-1.9 0, 0.0 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-4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 118.3 39.2 -61.7 -40.2 -33.4 119.1 54.9 1467 195 C K H <5S+ 0 0 22 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.937 129.7 24.4 -76.9 -48.1 -29.7 119.9 55.3 1468 196 C H H <5S+ 0 0 2 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.705 136.9 23.1 -89.8 -29.3 -28.4 116.7 57.0 1469 197 C H X< + 0 0 6 -4,-2.1 4,-2.2 -5,-0.8 5,-0.3 -0.258 66.6 160.7-136.3 52.4 -31.0 114.2 55.9 1470 198 C P H > S+ 0 0 30 0, 0.0 4,-3.1 0, 0.0 3,-0.2 0.898 76.7 44.3 -35.8 -70.9 -32.8 115.3 52.7 1471 199 C R H > S+ 0 0 62 -93,-0.5 4,-2.6 1,-0.2 -92,-0.2 0.862 113.1 55.6 -48.8 -39.0 -34.3 112.0 51.4 1472 200 C W H > S+ 0 0 23 -94,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.953 111.1 40.1 -59.1 -54.9 -35.4 111.1 54.9 1473 201 C Y H X S+ 0 0 7 -4,-2.2 4,-3.7 -8,-0.3 5,-0.3 0.914 110.0 60.3 -68.0 -35.5 -37.4 114.3 55.5 1474 202 C R H X S+ 0 0 123 -4,-3.1 4,-3.0 -5,-0.3 -2,-0.2 0.973 107.5 47.0 -52.5 -53.3 -38.8 114.1 52.0 1475 203 C E H X S+ 0 0 106 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.801 113.1 46.7 -54.0 -42.6 -40.3 110.7 52.9 1476 204 C I H X S+ 0 0 51 -4,-1.8 4,-4.0 2,-0.2 -1,-0.2 0.960 112.9 50.7 -65.9 -50.5 -41.7 111.9 56.3 1477 205 C E H X S+ 0 0 68 -4,-3.7 4,-1.7 2,-0.2 5,-0.4 0.937 116.3 40.6 -51.5 -49.8 -43.2 115.0 54.5 1478 206 C K H X S+ 0 0 112 -4,-3.0 4,-2.7 -5,-0.3 5,-0.4 0.987 115.6 49.5 -62.9 -55.0 -44.8 112.8 51.8 1479 207 C A H X S+ 0 0 59 -4,-3.2 4,-2.2 -5,-0.2 5,-0.2 0.913 118.2 44.6 -46.9 -50.8 -45.9 110.1 54.3 1480 208 C E H X S+ 0 0 56 -4,-4.0 4,-2.1 -5,-0.2 3,-0.4 0.974 119.6 33.9 -51.0 -90.9 -47.4 113.0 56.3 1481 209 C A H X S+ 0 0 51 -4,-1.7 4,-2.0 1,-0.2 5,-0.3 0.838 118.7 54.6 -34.4 -58.0 -49.1 115.2 53.8 1482 210 C K H X S+ 0 0 116 -4,-2.7 4,-1.6 -5,-0.4 3,-0.3 0.895 109.6 43.8 -50.7 -55.0 -50.1 112.2 51.6 1483 211 C K H X S+ 0 0 128 -4,-2.2 4,-1.4 -3,-0.4 -1,-0.2 0.779 115.5 49.5 -66.4 -24.7 -51.9 110.2 54.3 1484 212 C E H X>S+ 0 0 108 -4,-2.1 5,-0.9 -5,-0.2 4,-0.8 0.757 113.0 47.2 -80.0 -23.2 -53.6 113.4 55.6 1485 213 C S H <5S+ 0 0 79 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.733 107.7 58.0 -80.4 -26.3 -54.6 114.1 51.9 1486 214 C E H <5S+ 0 0 124 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.862 94.0 65.4 -72.6 -35.0 -55.7 110.5 51.9 1487 215 C E H <5S- 0 0 141 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.898 111.7-118.8 -54.9 -45.6 -58.1 111.2 54.7 1488 216 C G T <5 0 0 53 -4,-0.8 -3,-0.1 0, 0.0 -2,-0.1 0.749 360.0 360.0 110.2 33.4 -60.1 113.5 52.5 1489 217 C I < 0 0 191 -5,-0.9 -4,-0.1 0, 0.0 -3,-0.0 0.528 360.0 360.0 -15.7 360.0 -59.8 116.8 54.3