==== 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 14-DEC-07 3BNE . COMPND 2 MOLECULE: SEED LIPOXYGENASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR D.R.TOMCHICK . 818 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 38 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 2 4 2 3 2 1 3 1 3 0 2 1 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 6 3 1 1 0 4 1 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 1 0 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 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 7 A K 0 0 196 0, 0.0 2,-0.5 0, 0.0 69,-0.2 0.000 360.0 360.0 360.0 141.7 72.1 35.6 3.3 2 8 A I E -A 69 0A 16 67,-2.4 67,-2.1 96,-0.0 2,-0.4 -0.802 360.0-133.1 -89.5 122.8 68.4 34.8 3.5 3 9 A K E -A 68 0A 76 -2,-0.5 96,-2.6 96,-0.4 2,-0.3 -0.632 32.1-178.1 -76.6 126.5 66.4 36.1 0.4 4 10 A G E -AB 67 98A 0 63,-3.1 63,-1.9 -2,-0.4 2,-0.4 -0.901 21.2-155.7-126.9 157.5 63.2 37.8 1.5 5 11 A T E -AB 66 97A 22 92,-1.9 92,-1.7 -2,-0.3 2,-0.5 -0.987 8.8-161.6-132.5 120.9 60.3 39.5 -0.2 6 12 A V E -AB 65 96A 1 59,-2.8 59,-2.8 -2,-0.4 2,-0.5 -0.884 4.3-162.7 -99.8 130.9 58.2 42.2 1.6 7 13 A V E +AB 64 95A 14 88,-2.4 87,-2.4 -2,-0.5 88,-1.6 -0.966 21.7 157.5-112.9 128.9 54.8 43.0 0.2 8 14 A L E -AB 63 93A 0 55,-2.5 55,-2.7 -2,-0.5 85,-0.2 -0.950 35.0-133.4-144.1 165.5 53.2 46.2 1.3 9 15 A M E - B 0 92A 17 83,-2.9 83,-3.3 -2,-0.3 53,-0.1 -0.985 24.8-130.0-123.3 118.4 50.5 48.7 0.3 10 16 A P E > - B 0 91A 15 0, 0.0 3,-2.3 0, 0.0 81,-0.2 -0.320 30.6-108.5 -61.1 150.8 51.3 52.5 0.4 11 17 A K T 3 S+ 0 0 98 79,-0.6 80,-0.1 1,-0.3 79,-0.0 0.827 116.4 67.6 -52.6 -36.1 48.7 54.5 2.1 12 18 A N T 3 0 0 134 1,-0.2 -1,-0.3 49,-0.0 79,-0.0 0.419 360.0 360.0 -69.3 4.4 47.4 56.1 -1.2 13 19 A E < 0 0 76 -3,-2.3 -1,-0.2 48,-0.1 217,-0.1 -0.524 360.0 360.0 75.6 360.0 46.2 52.5 -2.0 14 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 15 31 A N > 0 0 160 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -11.7 56.7 56.9 -5.3 16 32 A L G > + 0 0 55 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.729 360.0 70.0 -62.7 -24.5 57.9 53.4 -4.5 17 33 A N G > S+ 0 0 128 1,-0.2 3,-1.8 2,-0.2 -1,-0.3 0.782 83.7 71.7 -60.2 -28.8 61.6 54.5 -4.5 18 34 A A G < S+ 0 0 44 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.702 88.8 62.1 -62.6 -18.8 60.9 56.4 -1.2 19 35 A F G < S+ 0 0 8 -3,-1.4 5,-0.4 -4,-0.2 29,-0.4 0.529 95.4 76.1 -83.4 -7.4 60.7 53.0 0.6 20 36 A L S X S+ 0 0 35 -3,-1.8 3,-1.7 -4,-0.2 29,-0.1 0.034 77.3 41.3 -89.1-158.7 64.3 52.3 -0.3 21 37 A G T 3 S- 0 0 54 27,-0.2 3,-0.3 1,-0.2 27,-0.1 -0.324 131.1 -26.3 53.5-133.0 67.4 53.7 1.3 22 38 A R T 3 S+ 0 0 185 1,-0.2 -1,-0.2 25,-0.1 3,-0.1 0.015 108.3 107.8-102.7 31.5 67.0 53.9 5.1 23 39 A S S < S+ 0 0 27 -3,-1.7 63,-2.9 1,-0.2 64,-0.6 0.854 79.7 27.0 -76.3 -39.1 63.2 54.2 5.0 24 40 A V E -E 85 0B 0 -5,-0.4 24,-1.2 -3,-0.3 2,-0.4 -0.977 65.0-168.5-137.6 120.6 62.2 50.7 6.4 25 41 A S E -EF 84 47B 1 59,-2.4 59,-2.5 -2,-0.4 2,-0.3 -0.840 2.1-173.4-106.7 141.5 64.1 48.4 8.7 26 42 A L E -EF 83 46B 0 20,-2.4 20,-1.9 -2,-0.4 2,-0.4 -0.975 3.9-167.5-126.5 147.7 63.4 44.8 9.5 27 43 A Q E -E 82 0B 30 55,-2.3 55,-2.5 -2,-0.3 18,-0.1 -0.977 18.3-135.6-134.1 120.5 65.2 42.6 12.1 28 44 A L E -E 81 0B 1 -2,-0.4 15,-2.9 16,-0.3 2,-0.4 -0.440 16.3-150.2 -72.3 151.4 64.6 38.8 12.1 29 45 A I E -EG 80 42B 0 51,-2.6 50,-2.7 13,-0.2 51,-1.3 -0.987 15.4-121.3-128.1 127.8 64.1 37.1 15.5 30 46 A S E -E 78 0B 0 11,-3.0 10,-0.1 -2,-0.4 46,-0.1 -0.455 15.3-167.0 -73.2 139.7 65.1 33.6 16.3 31 47 A A E S+ 0 0 13 46,-3.3 108,-0.3 -2,-0.2 -1,-0.1 0.491 92.1 31.4 -90.7 -8.6 62.7 30.9 17.5 32 48 A T E S+ 0 0 73 45,-0.5 2,-0.6 43,-0.4 44,-0.2 0.591 105.8 65.7-127.9 -24.6 65.5 28.5 18.5 33 49 A K E - 0 0 99 42,-0.5 8,-3.0 44,-0.2 2,-0.3 -0.949 65.3-168.7-111.7 122.5 68.6 30.5 19.7 34 50 A A E - G 0 40B 38 -2,-0.6 6,-0.3 6,-0.3 -3,-0.1 -0.739 18.4-127.2-107.7 152.9 68.1 32.5 22.9 35 51 A D > - 0 0 64 4,-2.8 3,-1.8 -2,-0.3 -1,-0.1 -0.114 55.6 -75.5 -76.0-171.1 70.1 35.2 24.6 36 52 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.615 134.5 53.2 -70.0 -12.5 71.0 34.8 28.3 37 53 A H T 3 S- 0 0 173 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.313 120.1-107.5-101.8 6.4 67.4 35.7 29.4 38 54 A G S < S+ 0 0 37 -3,-1.8 2,-0.4 1,-0.3 102,-0.2 0.529 76.1 134.1 82.9 7.8 66.0 33.0 27.1 39 55 A K - 0 0 56 1,-0.1 -4,-2.8 100,-0.1 -1,-0.3 -0.736 67.6 -93.2 -90.0 137.8 64.6 35.5 24.5 40 56 A G E -G 34 0B 0 98,-2.7 -6,-0.3 -2,-0.4 -9,-0.1 -0.153 47.1-106.7 -48.4 131.6 65.1 34.8 20.8 41 57 A K E - 0 0 78 -8,-3.0 -11,-3.0 33,-0.1 2,-0.4 -0.318 33.2-138.6 -64.0 148.0 68.2 36.5 19.5 42 58 A V E -G 29 0B 54 -13,-0.2 -13,-0.2 -3,-0.1 -1,-0.1 -0.927 11.2-138.0-115.4 133.5 67.6 39.5 17.2 43 59 A G - 0 0 14 -15,-2.9 3,-0.1 -2,-0.4 28,-0.1 -0.112 34.2 -72.1 -81.1-176.6 69.5 40.3 14.0 44 60 A K - 0 0 138 26,-0.3 -16,-0.3 1,-0.1 2,-0.2 -0.267 56.9 -87.4 -74.1 155.9 70.8 43.5 12.6 45 61 A D - 0 0 69 -18,-0.1 2,-0.4 -20,-0.1 -18,-0.2 -0.477 49.7-167.5 -61.0 127.2 68.6 46.3 11.1 46 62 A T E -F 26 0B 23 -20,-1.9 -20,-2.4 -2,-0.2 2,-0.2 -0.992 4.7-149.3-129.0 124.7 68.2 45.4 7.5 47 63 A F E -F 25 0B 38 -2,-0.4 21,-0.3 -22,-0.2 -22,-0.2 -0.518 29.4 -90.9 -98.0 155.8 66.7 47.9 5.0 48 64 A L - 0 0 5 -24,-1.2 -27,-0.2 -29,-0.4 19,-0.2 -0.463 38.5-168.7 -63.9 133.3 64.6 47.4 1.9 49 65 A E - 0 0 103 17,-2.5 2,-0.3 1,-0.3 18,-0.2 0.768 50.5 -22.4-103.1 -27.4 67.0 47.0 -1.0 50 66 A G E -C 66 0A 16 16,-1.0 16,-2.6 -31,-0.1 2,-0.4 -0.983 63.9 -85.3-173.5 165.6 64.9 47.2 -4.2 51 67 A I E -C 65 0A 51 -2,-0.3 2,-0.7 14,-0.2 14,-0.3 -0.716 33.7-143.9 -84.9 127.5 61.6 46.8 -6.0 52 68 A N E +C 64 0A 23 12,-2.8 12,-0.6 -2,-0.4 3,-0.0 -0.846 27.8 165.7 -91.4 113.1 60.6 43.3 -7.2 53 69 A T + 0 0 131 -2,-0.7 -1,-0.1 1,-0.1 12,-0.0 0.181 54.4 90.9-107.7 16.1 58.8 43.6 -10.5 54 70 A S + 0 0 91 10,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.899 62.9 76.3 -84.7 -46.1 59.2 39.9 -11.2 55 71 A L - 0 0 108 1,-0.2 9,-0.1 2,-0.1 -1,-0.0 -0.594 53.9-165.7 -78.8 120.3 56.1 38.1 -9.8 56 72 A P S S+ 0 0 121 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 0.691 74.4 87.7 -71.8 -20.5 52.9 38.5 -11.8 57 73 A T + 0 0 109 -3,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.699 58.1 124.0 -83.6 91.3 51.0 37.2 -8.8 58 74 A L - 0 0 63 -2,-1.3 3,-0.1 6,-0.0 4,-0.0 -0.893 56.7-123.5-154.0 121.4 50.4 40.4 -6.8 59 75 A G > - 0 0 36 -2,-0.3 3,-1.8 1,-0.1 -2,-0.0 -0.139 47.9 -75.4 -60.9 159.4 47.0 41.9 -5.7 60 76 A A T 3 S+ 0 0 70 1,-0.2 -1,-0.1 -51,-0.0 3,-0.1 -0.239 118.1 16.3 -57.1 139.7 45.9 45.4 -6.7 61 77 A G T 3 S+ 0 0 31 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.335 99.7 123.4 82.4 -6.8 47.7 48.2 -4.8 62 78 A E < - 0 0 50 -3,-1.8 2,-0.3 -53,-0.1 -1,-0.2 -0.648 39.7-169.7 -94.2 143.2 50.5 45.9 -3.6 63 79 A S E -A 8 0A 21 -55,-2.7 -55,-2.5 -2,-0.3 2,-0.4 -0.982 11.5-143.4-128.2 148.1 54.2 46.2 -4.1 64 80 A A E -AC 7 52A 7 -12,-0.6 -12,-2.8 -2,-0.3 2,-0.4 -0.895 12.7-166.2-112.8 138.2 57.0 43.8 -3.4 65 81 A F E -AC 6 51A 0 -59,-2.8 -59,-2.8 -2,-0.4 2,-0.3 -0.954 16.7-129.6-125.3 140.9 60.5 44.6 -2.2 66 82 A N E +AC 5 50A 41 -16,-2.6 -17,-2.5 -2,-0.4 -16,-1.0 -0.652 29.6 171.8 -84.7 145.6 63.6 42.5 -2.0 67 83 A I E -A 4 0A 0 -63,-1.9 -63,-3.1 -2,-0.3 2,-0.4 -0.984 17.9-155.3-153.0 142.8 65.6 42.2 1.2 68 84 A H E -A 3 0A 58 -21,-0.3 2,-0.5 -2,-0.3 -65,-0.2 -0.987 11.6-155.0-125.6 125.8 68.5 40.0 2.3 69 85 A F E -A 2 0A 3 -67,-2.1 -67,-2.4 -2,-0.4 2,-0.4 -0.849 15.7-132.2-105.5 132.4 69.2 39.1 5.9 70 86 A E + 0 0 113 -2,-0.5 -26,-0.3 -69,-0.2 2,-0.2 -0.664 38.0 166.1 -70.5 125.2 72.6 38.2 7.4 71 87 A W - 0 0 34 -2,-0.4 -2,-0.1 -28,-0.1 5,-0.0 -0.671 10.1-176.2-152.4 87.9 71.8 35.1 9.5 72 88 A D > - 0 0 84 -2,-0.2 3,-1.6 1,-0.0 4,-0.3 -0.041 44.2 -85.7 -80.8-175.9 74.7 33.0 10.7 73 89 A G G > S+ 0 0 68 1,-0.3 3,-1.3 2,-0.2 -1,-0.0 0.860 121.7 62.8 -61.1 -39.5 74.8 29.7 12.6 74 90 A S G 3 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.0 -33,-0.1 0.463 97.6 63.6 -65.6 -1.2 74.5 31.2 16.1 75 91 A M G < S- 0 0 21 -3,-1.6 -42,-0.5 1,-0.2 -43,-0.4 0.608 79.6-168.2-102.7 -17.3 71.0 32.5 15.0 76 92 A G < - 0 0 24 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.0 -0.292 49.0 -17.7 64.6-141.8 69.0 29.4 14.4 77 93 A I - 0 0 96 24,-0.0 -46,-3.3 2,-0.0 -45,-0.5 -0.876 66.5-121.5-109.6 129.5 65.6 29.5 12.7 78 94 A P E +E 30 0B 3 0, 0.0 -48,-0.3 0, 0.0 3,-0.1 -0.443 35.8 163.8 -69.1 136.4 63.6 32.8 12.4 79 95 A G E + 0 0 5 -50,-2.7 47,-2.4 1,-0.3 2,-0.3 0.380 65.0 7.5-129.8 -4.2 60.1 32.8 13.9 80 96 A A E -EH 29 125B 0 -51,-1.3 -51,-2.6 45,-0.3 2,-0.3 -0.942 61.4-149.3-161.2 173.0 59.3 36.5 14.1 81 97 A F E -EH 28 124B 0 43,-2.2 43,-2.5 -2,-0.3 2,-0.4 -0.986 11.1-134.8-152.9 154.6 60.6 39.9 13.1 82 98 A Y E -EH 27 123B 50 -55,-2.5 -55,-2.3 -2,-0.3 2,-0.4 -0.828 22.1-163.4 -98.0 148.2 60.6 43.5 14.2 83 99 A I E -EH 26 122B 4 39,-1.9 39,-0.7 -2,-0.4 2,-0.4 -0.999 6.2-167.3-133.5 139.7 59.9 46.3 11.7 84 100 A K E -E 25 0B 32 -59,-2.5 -59,-2.4 -2,-0.4 2,-0.7 -0.995 8.9-154.5-125.0 126.9 60.5 50.0 11.9 85 101 A N E +Ei 24 114B 0 28,-0.6 30,-3.1 -2,-0.4 31,-0.2 -0.903 13.1 178.1 -99.7 113.4 59.1 52.6 9.6 86 102 A Y + 0 0 97 -63,-2.9 -62,-0.2 -2,-0.7 -1,-0.1 0.457 52.6 101.6 -94.0 -4.4 61.3 55.7 9.4 87 103 A M S S- 0 0 29 -64,-0.6 28,-0.1 2,-0.2 -2,-0.1 -0.374 79.4-123.3 -73.3 157.8 59.0 57.4 6.8 88 104 A Q S S+ 0 0 148 -2,-0.1 26,-0.4 26,-0.1 2,-0.3 0.909 92.3 60.9 -65.8 -40.9 56.5 60.1 7.8 89 105 A V S S- 0 0 77 24,-0.1 -2,-0.2 1,-0.1 23,-0.0 -0.656 85.4-118.6-100.5 141.1 53.5 58.3 6.5 90 106 A E - 0 0 18 -2,-0.3 -79,-0.6 24,-0.1 2,-0.3 -0.315 27.0-159.9 -68.7 155.7 52.2 54.9 7.6 91 107 A F E -BD 10 112A 1 21,-1.5 21,-2.6 -81,-0.2 2,-0.7 -0.908 22.7-111.1-132.7 162.3 52.0 51.9 5.1 92 108 A F E -BD 9 111A 35 -83,-3.3 -83,-2.9 -2,-0.3 2,-0.6 -0.859 28.2-149.3 -99.1 114.1 50.0 48.7 5.1 93 109 A L E +BD 8 110A 0 17,-3.0 17,-2.1 -2,-0.7 -85,-0.2 -0.710 20.6 173.7 -85.7 122.1 52.3 45.7 5.6 94 110 A K E - 0 0 45 -87,-2.4 14,-2.6 -2,-0.6 15,-1.2 0.920 52.8 -33.2 -91.6 -55.2 50.9 42.6 3.9 95 111 A S E -BD 7 107A 21 -88,-1.6 -88,-2.4 12,-0.2 2,-0.4 -0.985 33.7-140.3-160.9 163.1 53.6 39.9 4.3 96 112 A L E -BD 6 106A 1 10,-1.7 10,-2.4 -2,-0.3 2,-0.4 -0.991 21.3-170.2-128.4 139.8 57.2 38.8 4.5 97 113 A T E -BD 5 105A 29 -92,-1.7 -92,-1.9 -2,-0.4 2,-0.5 -0.999 5.8-160.0-131.9 126.9 58.3 35.6 2.8 98 114 A L E -BD 4 104A 0 6,-2.8 6,-2.3 -2,-0.4 3,-0.4 -0.948 16.5-145.2-110.8 128.9 61.7 34.0 3.4 99 115 A E + 0 0 77 -96,-2.6 -96,-0.4 -2,-0.5 -2,-0.0 -0.652 65.3 8.2 -98.9 150.3 63.0 31.6 0.7 100 116 A A 0 0 110 -2,-0.3 -1,-0.2 1,-0.2 -97,-0.0 0.773 360.0 360.0 61.4 35.8 65.1 28.4 0.9 101 117 A I 0 0 73 -3,-0.4 -1,-0.2 -99,-0.0 -3,-0.1 -0.994 360.0 360.0-145.6 360.0 65.1 28.2 4.7 102 ! 0 0 0 0, 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H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.953 113.4 48.4 -61.3 -51.2 37.9 42.5 22.5 494 513 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.880 108.2 56.4 -56.5 -39.2 38.7 39.4 24.7 495 514 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.942 111.2 40.8 -62.5 -47.0 40.2 37.5 21.8 496 515 A H H < S+ 0 0 14 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 116.5 51.1 -71.1 -30.8 42.8 40.2 20.9 497 516 A R H < S+ 0 0 28 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.805 127.5 17.0 -71.8 -32.6 43.5 40.8 24.6 498 517 A H H < S+ 0 0 20 -4,-2.0 2,-0.6 -5,-0.2 131,-0.2 0.624 108.8 68.6-124.5 -19.8 44.1 37.2 25.6 499 518 A L S < S- 0 0 1 -4,-2.4 -1,-0.1 -5,-0.3 127,-0.0 -0.938 76.0-131.6-108.4 118.6 44.7 34.9 22.6 500 519 A S > - 0 0 4 -2,-0.6 3,-2.4 1,-0.1 6,-0.3 -0.286 24.3-111.2 -57.5 151.7 48.0 35.4 20.8 501 520 A V T 3 S+ 0 0 55 1,-0.3 -1,-0.1 -358,-0.1 6,-0.1 0.759 122.6 60.0 -47.2 -28.9 48.0 35.7 17.0 502 521 A L T 3 S+ 0 0 5 -373,-0.1 -372,-2.5 4,-0.1 -1,-0.3 0.609 83.1 106.7 -75.1 -14.2 49.8 32.4 17.3 503 522 A H <> - 0 0 0 -3,-2.4 4,-2.2 -374,-0.2 5,-0.2 -0.398 69.6-137.5 -80.7 141.0 46.9 30.7 19.0 504 523 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.843 105.6 49.7 -64.0 -31.0 44.8 28.2 17.2 505 524 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.838 106.9 55.9 -80.3 -30.4 41.5 29.6 18.6 506 525 A Y H > S+ 0 0 39 -6,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.958 110.7 45.6 -56.3 -49.8 42.6 33.1 17.6 507 526 A K H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.845 113.1 50.5 -62.8 -34.2 43.0 31.8 14.0 508 527 A L H < S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.903 121.8 29.4 -69.6 -42.0 39.7 30.0 14.2 509 528 A L H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.1 -2,-0.2 0.815 98.8 76.1 -93.6 -32.6 37.6 33.0 15.4 510 529 A T G >< S+ 0 0 33 -4,-2.8 3,-2.2 1,-0.3 4,-0.3 0.778 86.7 61.8 -62.8 -28.4 39.2 36.2 14.1 511 530 A P G > S+ 0 0 27 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.849 99.5 61.1 -60.7 -24.7 38.0 36.0 10.5 512 531 A H G < S+ 0 0 5 -3,-1.7 306,-0.6 1,-0.2 -2,-0.2 0.380 99.4 55.2 -82.3 6.0 34.5 36.1 12.1 513 532 A Y G X> S+ 0 0 2 -3,-2.2 3,-2.2 304,-0.2 4,-0.5 0.400 71.7 142.0-111.8 -0.5 35.2 39.5 13.6 514 533 A R T <4 S- 0 0 61 -3,-1.1 303,-0.1 -4,-0.3 -289,-0.1 -0.167 81.5 -10.4 -54.4 125.3 36.2 41.4 10.4 515 534 A N T 3> S+ 0 0 6 -290,-0.1 4,-2.8 1,-0.1 -1,-0.3 0.354 100.1 117.4 73.2 -2.1 34.8 45.0 10.5 516 535 A N H <> S+ 0 0 0 -3,-2.2 4,-2.2 1,-0.2 5,-0.2 0.928 76.1 42.8 -70.6 -47.7 32.6 44.4 13.5 517 536 A M H X S+ 0 0 3 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.892 115.7 52.5 -61.3 -35.9 34.3 46.9 15.9 518 537 A N H > S+ 0 0 11 -293,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.943 111.1 43.3 -65.6 -54.9 34.5 49.5 13.1 519 538 A I H X S+ 0 0 7 -4,-2.8 4,-2.1 299,-0.2 -1,-0.2 0.915 114.4 53.1 -60.2 -36.3 30.8 49.3 12.1 520 539 A N H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.905 108.4 48.2 -66.1 -43.0 29.8 49.3 15.8 521 540 A A H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.917 112.2 49.2 -63.2 -42.8 31.9 52.5 16.6 522 541 A L H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.854 110.6 52.1 -62.8 -33.6 30.4 54.2 13.6 523 542 A A H X>S+ 0 0 4 -4,-2.1 5,-2.4 2,-0.2 4,-2.0 0.906 106.3 52.4 -69.9 -41.8 26.9 53.1 14.8 524 543 A R H <5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.861 115.0 44.5 -59.4 -32.3 27.6 54.6 18.3 525 544 A Q H <5S+ 0 0 23 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.879 136.1 3.0 -79.8 -39.4 28.5 57.8 16.6 526 545 A S H <5S+ 0 0 2 -4,-2.1 7,-1.7 -5,-0.1 -3,-0.2 0.562 127.5 44.6-128.5 -18.2 25.7 58.2 14.0 527 546 A L T <5S+ 0 0 40 -4,-2.0 7,-2.6 -5,-0.4 8,-0.6 0.892 123.4 19.9 -96.5 -60.0 23.1 55.4 14.2 528 547 A I S S- 0 0 32 -6,-0.5 3,-2.5 1,-0.2 6,-0.4 -0.301 84.1 -71.2 -74.0 164.6 23.4 58.1 19.3 530 549 A A T 3 S+ 0 0 9 -357,-2.8 -1,-0.2 1,-0.3 -348,-0.1 -0.395 123.8 2.1 -59.9 126.4 20.9 60.6 20.9 531 550 A N T 3 S+ 0 0 106 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.1 0.659 106.8 138.5 63.7 19.1 18.8 62.1 18.1 532 551 A G S <> S- 0 0 3 -3,-2.5 4,-1.8 -5,-0.0 -5,-0.2 -0.008 71.9 -75.5 -80.3-169.8 20.6 59.8 15.6 533 552 A I H > S+ 0 0 6 -7,-1.7 4,-1.2 1,-0.2 5,-0.2 0.910 127.1 47.2 -62.2 -46.6 19.2 57.8 12.7 534 553 A A H >> S+ 0 0 6 -7,-2.6 4,-2.9 1,-0.2 3,-0.7 0.947 112.3 49.1 -63.2 -44.3 17.6 55.0 14.8 535 554 A E H 34 S+ 0 0 10 -8,-0.6 -1,-0.2 -6,-0.4 -2,-0.2 0.825 114.3 45.5 -66.0 -28.0 15.9 57.3 17.2 536 555 A T H 3< S+ 0 0 49 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.631 120.5 38.4 -94.7 -1.6 14.4 59.4 14.5 537 556 A T H << S+ 0 0 5 -4,-1.2 2,-0.3 -3,-0.7 -2,-0.2 0.765 103.9 71.0-112.9 -28.4 13.2 56.5 12.3 538 557 A F S >< S- 0 0 20 -4,-2.9 3,-2.0 -5,-0.2 153,-0.2 -0.647 83.7-113.8 -99.0 147.1 11.9 53.9 14.9 539 558 A L T 3 S+ 0 0 5 151,-2.3 152,-0.1 -2,-0.3 -1,-0.1 0.773 107.4 56.5 -37.1 -51.1 8.8 54.0 17.0 540 559 A P T > S- 0 0 0 0, 0.0 3,-2.7 0, 0.0 -1,-0.3 0.552 78.3-176.1 -76.3 -7.5 10.4 54.2 20.5 541 560 A S G X S+ 0 0 42 -3,-2.0 3,-2.1 1,-0.3 4,-0.3 -0.207 72.6 7.4 59.4-131.1 12.5 57.4 19.7 542 561 A K G 3 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.516 131.4 59.3 -63.5 -7.7 14.7 58.3 22.7 543 562 A Y G <> S+ 0 0 46 -3,-2.7 4,-2.1 1,-0.1 -1,-0.3 0.413 78.7 96.6 -95.5 -0.5 13.7 55.0 24.4 544 563 A S H <> S+ 0 0 0 -3,-2.1 4,-1.2 2,-0.2 -2,-0.1 0.930 85.2 37.8 -60.8 -54.8 15.0 52.7 21.6 545 564 A V H > S+ 0 0 8 -4,-0.3 4,-1.3 1,-0.2 3,-0.5 0.928 114.6 54.3 -70.5 -40.0 18.4 51.7 22.8 546 565 A E H > S+ 0 0 33 -4,-0.3 4,-2.0 1,-0.2 3,-0.4 0.900 101.7 60.2 -60.5 -32.2 17.4 51.4 26.5 547 566 A M H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.902 100.7 55.2 -58.1 -37.9 14.6 49.0 25.3 548 567 A S H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.5 -1,-0.2 0.847 104.0 54.4 -65.4 -28.2 17.4 46.8 24.0 549 568 A S H X S+ 0 0 0 -4,-1.3 4,-1.2 -3,-0.4 -1,-0.2 0.920 106.0 51.7 -67.6 -41.5 19.0 46.8 27.5 550 569 A A H < S+ 0 0 31 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.901 111.3 47.6 -62.3 -38.7 15.7 45.6 29.0 551 570 A V H >< S+ 0 0 23 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.881 102.4 63.5 -69.5 -34.8 15.7 42.7 26.4 552 571 A Y H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.774 84.8 75.0 -63.1 -24.1 19.3 41.9 27.2 553 572 A K T 3< S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.814 103.8 40.4 -51.9 -30.5 18.3 41.0 30.7 554 573 A N T < S+ 0 0 125 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.3 0.202 85.7 123.8-102.2 8.5 16.9 37.8 29.1 555 574 A W < - 0 0 10 -3,-2.0 2,-0.4 -4,-0.1 -3,-0.0 -0.611 40.1-169.2 -75.6 134.9 19.7 37.2 26.6 556 575 A V > - 0 0 18 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 -0.982 17.4-150.4-131.0 116.9 21.2 33.7 27.1 557 576 A F G > S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.3 4,-0.3 0.901 97.6 48.9 -54.9 -45.5 24.4 32.8 25.3 558 577 A T G > S+ 0 0 30 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.724 102.3 63.1 -74.1 -15.3 23.6 29.1 24.9 559 578 A D G < S+ 0 0 39 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.502 86.3 74.7 -85.4 -1.0 20.2 29.9 23.6 560 579 A Q G < S+ 0 0 25 -3,-1.6 -1,-0.2 -4,-0.4 2,-0.2 0.653 71.4 103.3 -79.4 -14.8 21.9 31.6 20.6 561 580 A A S <> S- 0 0 12 -3,-0.8 4,-2.7 -4,-0.3 5,-0.2 -0.492 82.8-126.2 -63.5 137.1 22.7 28.1 19.3 562 581 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.920 104.9 47.3 -62.4 -45.7 20.2 27.4 16.5 563 582 A P H > S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.938 114.6 48.2 -59.8 -41.0 18.8 24.1 17.8 564 583 A A H > S+ 0 0 32 1,-0.2 4,-2.8 -6,-0.2 -2,-0.2 0.902 110.5 51.7 -66.5 -36.9 18.4 25.5 21.3 565 584 A D H X S+ 0 0 30 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.922 110.6 47.7 -60.7 -47.2 16.7 28.6 19.9 566 585 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 6,-1.0 0.898 114.5 46.1 -64.2 -42.1 14.2 26.5 17.9 567 586 A I H ><5S+ 0 0 68 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.939 111.3 51.9 -66.3 -44.4 13.4 24.3 20.8 568 587 A K H 3<5S+ 0 0 90 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.879 109.8 49.6 -59.5 -38.4 13.0 27.3 23.2 569 588 A R T 3<5S- 0 0 10 -4,-2.3 -227,-2.6 -5,-0.2 -1,-0.3 0.445 112.3-119.8 -81.9 0.4 10.6 29.0 20.9 570 589 A G T < 5S+ 0 0 14 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.793 83.9 114.2 70.4 25.2 8.5 25.8 20.5 571 590 A V S - 0 0 32 6,-2.4 3,-1.9 -2,-0.1 6,-0.3 -0.708 24.1-167.7-154.3 99.4 14.6 14.2 18.2 576 595 A P T 3 S+ 0 0 112 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.585 85.0 69.4 -70.7 -7.7 17.8 12.1 18.1 577 596 A S T 3 S+ 0 0 103 4,-0.1 5,-0.0 3,-0.0 3,-0.0 0.516 87.2 82.3 -82.6 -6.4 16.5 10.1 15.1 578 597 A T S X S- 0 0 33 -3,-1.9 3,-1.2 1,-0.1 -3,-0.1 -0.702 90.3-117.3 -97.6 149.8 16.8 13.1 12.8 579 598 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.856 115.3 38.8 -55.1 -37.6 20.1 14.2 11.2 580 599 A H T 3 S- 0 0 54 2,-0.3 3,-0.1 -5,-0.1 -3,-0.0 0.456 110.9-116.2 -93.1 1.0 20.2 17.5 13.1 581 600 A G S < S+ 0 0 12 -3,-1.2 -6,-2.4 -6,-0.3 2,-0.3 0.525 87.9 81.9 80.6 0.3 18.8 16.2 16.3 582 601 A V E -S 574 0H 11 -8,-0.3 2,-0.5 -6,-0.1 -2,-0.3 -0.996 65.7-143.8-138.6 148.0 15.6 18.3 16.1 583 602 A R E -S 573 0H 133 -10,-2.9 -10,-2.4 -2,-0.3 2,-0.2 -0.950 23.7-131.6-110.0 123.1 12.4 17.9 14.3 584 603 A L E -S 572 0H 24 -2,-0.5 -12,-0.3 -12,-0.2 3,-0.1 -0.488 4.8-153.3 -74.1 140.3 10.8 21.1 13.0 585 604 A L S S+ 0 0 24 -14,-2.9 2,-0.6 1,-0.2 -13,-0.2 0.630 96.7 49.5 -86.9 -16.7 7.2 21.7 13.7 586 605 A I S S- 0 0 0 -15,-0.7 3,-0.5 1,-0.1 -1,-0.2 -0.971 82.5-162.6-114.8 104.8 6.8 23.8 10.6 587 606 A E S S+ 0 0 171 -2,-0.6 2,-1.0 1,-0.3 -1,-0.1 0.900 84.3 44.6 -62.6 -43.1 8.4 21.5 8.1 588 607 A D S S+ 0 0 26 -166,-0.3 -1,-0.3 -3,-0.1 3,-0.1 -0.663 71.6 144.1-101.1 70.4 9.0 24.1 5.4 589 608 A Y > - 0 0 0 -2,-1.0 4,-3.1 -3,-0.5 5,-0.3 -0.933 36.5-160.2-107.0 96.1 10.4 26.9 7.7 590 609 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.892 82.0 47.1 -60.9 -44.4 12.9 28.3 5.3 591 610 A Y H > S+ 0 0 2 -259,-1.9 4,-2.4 1,-0.2 5,-0.1 0.947 119.0 40.6 -55.5 -49.2 15.2 30.1 7.8 592 611 A A H > S+ 0 0 0 -260,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.901 115.8 49.3 -71.3 -38.5 15.3 27.2 10.2 593 612 A A H X S+ 0 0 17 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.911 119.0 38.1 -70.0 -40.1 15.7 24.5 7.5 594 613 A D H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 3,-0.4 0.889 114.3 56.5 -75.4 -37.7 18.4 26.3 5.7 595 614 A G H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.4 -2,-0.2 0.878 100.2 57.6 -58.6 -41.3 20.0 27.4 8.9 596 615 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.848 105.2 52.5 -62.1 -34.0 20.3 23.9 10.3 597 616 A E H X S+ 0 0 20 -4,-0.9 4,-1.9 -3,-0.4 -1,-0.2 0.934 112.7 42.7 -65.7 -45.8 22.4 23.0 7.2 598 617 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.931 113.0 53.7 -64.2 -44.1 24.8 25.9 7.8 599 618 A W H X S+ 0 0 18 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.925 109.1 49.1 -54.3 -48.3 24.9 25.2 11.5 600 619 A A H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.868 109.8 51.4 -61.8 -37.3 25.9 21.5 10.8 601 620 A A H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.926 111.5 46.0 -68.1 -42.3 28.6 22.6 8.4 602 621 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.923 111.4 53.8 -64.0 -42.5 30.1 25.0 10.9 603 622 A K H X S+ 0 0 86 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.920 107.9 49.2 -58.7 -46.6 29.9 22.4 13.7 604 623 A T H X S+ 0 0 83 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.912 112.0 49.4 -59.1 -42.7 31.8 19.8 11.5 605 624 A W H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 3,-0.5 0.952 113.4 44.7 -62.6 -49.0 34.5 22.3 10.8 606 625 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.935 112.8 52.2 -62.5 -44.2 34.9 23.3 14.5 607 626 A Q H < S+ 0 0 96 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.737 113.8 44.0 -64.2 -23.2 34.8 19.6 15.6 608 627 A E H < S+ 0 0 61 -4,-1.3 4,-0.3 -3,-0.5 -1,-0.2 0.815 116.4 45.4 -88.0 -35.3 37.6 18.8 13.0 609 628 A Y H >< S+ 0 0 0 -4,-2.6 3,-1.8 -5,-0.2 4,-0.5 0.940 104.6 59.7 -74.8 -47.7 39.8 21.8 13.8 610 629 A V G >X S+ 0 0 2 -4,-2.7 3,-2.2 1,-0.3 4,-2.0 0.885 100.4 53.2 -50.6 -50.6 39.7 21.7 17.7 611 630 A P G 34 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.608 94.7 71.7 -67.2 -9.9 41.2 18.2 18.1 612 631 A L G <4 S+ 0 0 63 -3,-1.8 -2,-0.2 -4,-0.3 3,-0.1 0.720 116.8 21.6 -69.7 -21.4 44.2 19.2 15.9 613 632 A Y T <4 S+ 0 0 35 -3,-2.2 2,-0.4 -4,-0.5 -1,-0.1 0.602 126.6 47.9-121.5 -20.6 45.2 21.3 18.9 614 633 A Y < + 0 0 3 -4,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.944 50.9 174.8-131.8 108.7 43.5 19.8 21.9 615 634 A A S S+ 0 0 81 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.823 70.4 19.1 -85.0 -32.5 43.7 16.0 22.4 616 635 A R S >> S- 0 0 173 1,-0.1 3,-1.1 36,-0.0 4,-0.9 -0.917 80.0-105.5-132.4 165.8 42.0 15.8 25.8 617 636 A D H >> S+ 0 0 73 -2,-0.3 4,-2.1 1,-0.3 3,-1.0 0.889 119.7 61.0 -51.2 -39.7 39.6 17.8 28.1 618 637 A D H 3> S+ 0 0 95 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.847 94.4 61.3 -55.3 -39.2 42.7 18.5 30.3 619 638 A D H <4 S+ 0 0 66 -3,-1.1 4,-0.3 2,-0.2 -1,-0.2 0.811 107.4 45.3 -60.5 -30.6 44.4 20.3 27.3 620 639 A V H X< S+ 0 0 0 -3,-1.0 3,-1.1 -4,-0.9 -2,-0.2 0.914 112.8 49.5 -76.1 -46.1 41.6 22.8 27.3 621 640 A K H 3< S+ 0 0 109 -4,-2.1 -2,-0.2 30,-0.4 -3,-0.2 0.861 112.7 49.5 -57.7 -36.7 41.7 23.2 31.1 622 641 A N T 3< S+ 0 0 123 -4,-2.6 2,-1.0 -5,-0.2 -1,-0.2 0.445 80.2 103.3 -90.0 -4.4 45.5 23.8 30.9 623 642 A D <> - 0 0 5 -3,-1.1 4,-2.5 -4,-0.3 5,-0.2 -0.722 52.7-168.1 -82.2 104.3 45.5 26.4 28.2 624 643 A S H > S+ 0 0 65 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 0.842 83.7 50.9 -64.7 -40.2 46.2 29.6 30.2 625 644 A E H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.930 112.7 47.5 -61.3 -46.9 45.4 32.0 27.3 626 645 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.912 112.7 48.2 -61.9 -44.2 42.1 30.2 26.6 627 646 A Q H X S+ 0 0 37 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.927 114.4 45.5 -64.6 -42.3 41.1 30.2 30.3 628 647 A H H X S+ 0 0 102 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.893 111.6 54.6 -64.6 -41.6 42.0 33.9 30.7 629 648 A W H X S+ 0 0 0 -4,-2.7 4,-2.4 -131,-0.2 -2,-0.2 0.928 113.0 40.1 -54.2 -51.7 40.1 34.7 27.4 630 649 A W H X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.888 113.0 54.1 -74.9 -41.9 36.8 33.1 28.5 631 650 A K H X S+ 0 0 119 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.928 114.5 42.0 -53.3 -46.5 37.0 34.4 32.0 632 651 A E H X>S+ 0 0 25 -4,-2.3 4,-2.2 2,-0.2 5,-2.1 0.892 110.0 55.7 -71.6 -36.8 37.4 37.9 30.7 633 652 A A H <>S+ 0 0 0 -4,-2.4 5,-1.7 3,-0.2 -1,-0.2 0.904 120.0 33.2 -62.3 -39.1 34.8 37.6 27.9 634 653 A V H <5S+ 0 0 15 -4,-2.2 7,-0.3 3,-0.2 4,-0.2 0.949 124.3 39.3 -80.5 -53.7 32.2 36.5 30.5 635 654 A E H <5S+ 0 0 79 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.738 136.0 15.0 -77.4 -22.5 33.2 38.4 33.6 636 655 A K T ><5S+ 0 0 123 -4,-2.2 3,-1.5 -5,-0.3 -3,-0.2 0.758 127.7 45.2-110.6 -55.5 34.1 41.7 31.9 637 656 A G T 3 S- 0 0 39 -32,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.949 82.1-114.9-140.4 158.9 36.2 20.3 28.2 653 672 A L H > S+ 0 0 43 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.888 116.9 53.7 -56.7 -43.4 36.6 19.7 24.4 654 673 A E H > S+ 0 0 148 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.922 107.4 50.6 -64.6 -38.9 32.9 19.8 24.0 655 674 A D H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 110.1 49.8 -64.5 -43.1 32.6 23.2 25.8 656 675 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.943 112.4 47.3 -57.9 -46.6 35.3 24.6 23.5 657 676 A V H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.934 112.7 50.1 -57.9 -51.0 33.5 23.4 20.4 658 677 A E H X S+ 0 0 66 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.927 111.6 46.6 -55.4 -47.4 30.2 24.7 21.7 659 678 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.936 116.1 44.2 -64.8 -45.2 31.5 28.2 22.5 660 679 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.891 112.6 52.6 -67.1 -39.8 33.3 28.5 19.1 661 680 A L H X S+ 0 0 7 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.924 110.6 46.6 -60.2 -47.6 30.4 27.1 17.2 662 681 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.937 112.4 50.6 -64.9 -41.9 27.9 29.6 18.7 663 682 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.941 112.7 45.4 -61.5 -46.4 30.3 32.6 18.2 664 683 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.912 112.7 51.6 -64.2 -40.6 30.8 31.7 14.5 665 684 A W H <>S+ 0 0 2 -4,-2.5 5,-2.6 -5,-0.2 6,-0.5 0.935 111.0 47.2 -59.4 -47.4 27.1 31.1 14.0 666 685 A I H <>S+ 0 0 1 -4,-2.6 5,-1.3 1,-0.2 -1,-0.2 0.924 116.0 44.9 -60.0 -44.9 26.1 34.5 15.5 667 686 A A H <5S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.781 126.5 22.5 -74.6 -28.6 28.8 36.3 13.4 668 687 A S T X5S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -3,-0.2 0.804 129.8 16.3-104.7 -84.9 28.1 34.7 10.1 669 688 A A H >5S+ 0 0 0 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.853 123.8 51.0 -68.6 -42.5 24.7 33.0 9.3 670 689 A L H >< S+ 0 0 0 -4,-1.9 3,-1.8 -3,-0.2 -3,-0.2 0.879 102.9 54.6 -99.0 -47.9 20.8 41.8 7.9 676 695 A F T 3< S+ 0 0 1 -4,-2.3 135,-0.3 -5,-0.3 3,-0.1 0.582 101.5 59.6 -80.1 -1.9 20.7 41.2 4.2 677 696 A G T 3>>S+ 0 0 0 -5,-0.3 4,-2.5 -342,-0.2 5,-0.6 0.388 76.2 100.8 -94.7 4.3 16.9 41.2 3.8 678 697 A Q H <>5S+ 0 0 4 -3,-1.8 4,-2.4 1,-0.2 -1,-0.1 0.937 94.2 23.8 -60.5 -53.8 16.5 44.7 5.2 679 698 A Y H >5S+ 0 0 3 53,-0.6 4,-2.4 3,-0.2 -366,-0.3 0.895 118.0 62.6 -79.7 -37.1 16.1 46.6 1.9 680 699 A P H 45S+ 0 0 0 0, 0.0 -367,-2.4 0, 0.0 -2,-0.2 0.898 125.7 16.3 -53.6 -41.1 14.8 43.6 -0.0 681 700 A Y H <5S+ 0 0 0 -4,-2.5 3,-0.5 -369,-0.2 -2,-0.2 0.776 134.6 42.3 -95.3 -37.7 11.8 43.3 2.3 682 701 A G H <> S- 0 0 0 -3,-0.5 3,-1.4 -5,-0.2 4,-1.4 -0.954 81.3-155.4-103.9 109.4 8.8 49.2 0.6 685 704 A I T 34 S+ 0 0 3 -2,-0.7 35,-0.2 1,-0.3 -1,-0.1 0.818 89.4 60.3 -62.4 -28.4 7.8 51.1 3.8 686 705 A M T 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.820 105.5 49.0 -66.4 -27.9 4.3 49.8 3.7 687 706 A N T <4 S+ 0 0 12 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 128.7 20.1 -78.9 -35.5 5.6 46.2 4.0 688 707 A R S < S- 0 0 16 -4,-1.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.520 78.7-173.7-132.3 70.0 8.0 47.0 7.0 689 708 A P - 0 0 1 0, 0.0 -217,-0.3 0, 0.0 3,-0.1 -0.378 11.3-159.7 -64.5 144.7 6.8 50.2 8.7 690 709 A T + 0 0 9 1,-0.2 -151,-2.3 -153,-0.1 2,-0.3 0.554 68.6 21.0-102.4 -11.2 9.3 51.4 11.3 691 710 A A - 0 0 14 -153,-0.2 29,-0.8 -152,-0.1 2,-0.4 -0.989 58.4-148.0-153.7 152.6 6.9 53.6 13.3 692 711 A S B -T 719 0I 1 -2,-0.3 -284,-2.3 27,-0.2 27,-0.2 -0.979 7.2-172.2-126.2 148.3 3.3 54.2 14.0 693 712 A R + 0 0 47 25,-2.5 2,-0.3 -2,-0.4 -284,-0.1 0.430 63.5 28.1-124.2 -6.1 1.9 57.7 14.8 694 713 A R - 0 0 47 24,-0.4 -1,-0.2 -286,-0.4 -286,-0.2 -0.982 68.5-121.6-153.2 157.4 -1.7 57.2 15.8 695 714 A L - 0 0 31 -2,-0.3 -2,-0.1 1,-0.2 -285,-0.0 -0.250 56.8 -67.1 -84.6 178.9 -4.0 54.6 17.4 696 715 A L - 0 0 16 1,-0.1 -1,-0.2 -2,-0.1 8,-0.1 -0.435 62.8-107.5 -67.1 143.8 -7.1 53.2 15.6 697 716 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.393 25.6-116.3 -77.0 152.5 -9.8 55.9 15.2 698 717 A E > - 0 0 114 1,-0.1 3,-1.0 -2,-0.1 6,-0.4 -0.596 37.8 -98.4 -78.7 143.7 -13.0 56.0 17.1 699 718 A K T 3 S+ 0 0 165 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 -0.269 108.1 36.5 -53.8 146.1 -16.3 55.6 15.3 700 719 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.591 94.8 110.2 85.1 12.7 -18.0 58.9 14.5 701 720 A T S <> S- 0 0 38 -3,-1.0 4,-2.1 1,-0.1 -1,-0.3 -0.792 79.0-116.4-116.4 158.6 -14.8 60.8 13.8 702 721 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.865 116.8 57.8 -59.8 -35.7 -13.3 62.2 10.6 703 722 A E H > S+ 0 0 93 1,-0.2 4,-1.3 2,-0.2 -4,-0.1 0.869 106.3 48.6 -62.7 -36.4 -10.4 59.8 11.0 704 723 A Y H > S+ 0 0 33 -6,-0.4 4,-1.0 -3,-0.3 3,-0.4 0.927 109.5 51.6 -68.0 -42.7 -12.8 56.9 11.0 705 724 A E H X S+ 0 0 89 -4,-2.1 4,-2.5 1,-0.2 3,-0.4 0.857 104.5 58.6 -62.9 -32.8 -14.6 58.3 7.8 706 725 A E H X S+ 0 0 35 -4,-2.2 4,-2.9 1,-0.2 8,-0.3 0.861 98.9 57.6 -63.3 -36.9 -11.1 58.5 6.2 707 726 A M H < S+ 0 0 3 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.833 112.7 41.7 -59.8 -32.7 -10.6 54.7 6.7 708 727 A I H < S+ 0 0 83 -4,-1.0 3,-0.3 -3,-0.4 -2,-0.2 0.924 126.1 31.2 -78.3 -46.4 -13.8 54.1 4.7 709 728 A N H < S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.650 134.2 18.7 -92.6 -22.6 -13.2 56.7 2.0 710 729 A N X + 0 0 76 -4,-2.9 4,-2.2 -5,-0.2 3,-0.3 -0.486 63.7 168.4-151.5 71.5 -9.4 56.8 1.6 711 730 A H H > S+ 0 0 75 -3,-0.3 4,-2.2 1,-0.3 5,-0.2 0.822 77.0 55.8 -63.0 -32.7 -7.8 53.7 3.1 712 731 A E H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.912 109.1 46.6 -69.3 -41.6 -4.4 54.3 1.6 713 732 A K H > S+ 0 0 9 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.901 109.8 54.3 -64.2 -39.9 -4.2 57.7 3.2 714 733 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 -8,-0.3 -2,-0.2 0.912 111.7 45.9 -58.9 -40.3 -5.4 56.3 6.6 715 734 A Y H >X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 3,-0.7 0.943 112.8 48.5 -66.0 -47.7 -2.6 53.8 6.4 716 735 A L H 3< S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.846 108.1 53.9 -67.9 -28.7 0.1 56.3 5.4 717 736 A R H 3< S+ 0 0 105 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.712 110.7 49.8 -73.4 -22.0 -1.0 58.7 8.2 718 737 A T H << S+ 0 0 3 -4,-0.8 -25,-2.5 -3,-0.7 -24,-0.4 0.857 107.6 56.2 -83.1 -42.8 -0.5 55.8 10.6 719 738 A I B < S-T 692 0I 0 -4,-2.1 -27,-0.2 -27,-0.2 -33,-0.1 -0.223 107.0 -42.6 -87.0-178.6 2.9 54.6 9.5 720 739 A T - 0 0 3 -29,-0.8 -1,-0.2 -35,-0.2 -2,-0.1 -0.053 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