==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-DEC-03 1ROV . COMPND 2 MOLECULE: SEED LIPOXYGENASE-3; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR A.VAHEDI-FARIDI,P.A.BRAULT,P.SHAH,Y.W.KIM,W.R.DUNHAM, . 836 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 12.0 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 45 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.5 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 5 4 2 2 2 2 1 1 2 0 2 1 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 6 6 1 1 1 1 2 3 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 . 3 0 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 9 A G 0 0 97 0, 0.0 2,-0.2 0, 0.0 86,-0.2 0.000 360.0 360.0 360.0 -86.2 46.0 34.6 -23.5 2 10 A H - 0 0 81 84,-0.1 83,-2.9 2,-0.0 2,-0.5 -0.818 360.0-100.3 156.1 161.4 43.7 31.4 -23.6 3 11 A K E -A 84 0A 108 81,-0.2 2,-0.5 -2,-0.2 81,-0.2 -0.958 19.1-148.7-113.9 126.0 40.5 29.7 -22.2 4 12 A I E -A 83 0A 0 79,-3.4 79,-3.0 -2,-0.5 2,-0.5 -0.803 25.7-133.2 -82.8 126.2 40.5 27.0 -19.4 5 13 A K E -AB 82 113A 134 108,-1.9 108,-2.4 -2,-0.5 2,-0.3 -0.797 24.7-160.0 -84.2 119.9 37.5 24.7 -20.2 6 14 A G E -AB 81 112A 2 75,-3.0 75,-1.6 -2,-0.5 2,-0.4 -0.779 18.0-168.1-108.0 147.0 35.3 23.9 -17.1 7 15 A T E -AB 80 111A 28 104,-2.1 104,-2.2 -2,-0.3 2,-0.4 -0.998 10.5-167.8-126.1 123.8 32.8 21.2 -16.2 8 16 A V E -AB 79 110A 1 71,-2.2 71,-2.0 -2,-0.4 2,-0.5 -0.952 2.4-164.3-111.3 127.4 30.6 21.7 -13.1 9 17 A V E +AB 78 109A 14 100,-2.7 99,-1.9 -2,-0.4 100,-1.8 -0.968 21.0 155.6-112.8 131.2 28.6 18.8 -11.8 10 18 A L E -AB 77 107A 0 67,-2.5 67,-3.1 -2,-0.5 2,-0.4 -0.977 33.8-129.1-146.2 171.3 25.8 19.5 -9.4 11 19 A M E - B 0 106A 14 95,-2.8 95,-2.7 -2,-0.3 65,-0.1 -0.979 24.8-120.3-129.1 132.8 22.6 18.1 -8.1 12 20 A R E >> - B 0 105A 57 63,-0.5 3,-2.2 -2,-0.4 4,-0.6 -0.423 20.2-126.0 -66.8 139.2 19.3 19.9 -7.8 13 21 A K H >> S+ 0 0 64 91,-0.6 4,-2.1 1,-0.3 3,-1.4 0.845 109.4 63.4 -46.7 -41.7 17.7 20.2 -4.3 14 22 A N H 34 S+ 0 0 100 1,-0.3 -1,-0.3 2,-0.2 91,-0.0 0.550 100.2 53.1 -60.8 -16.7 14.5 18.5 -5.8 15 23 A V H <4 S+ 0 0 25 -3,-2.2 -1,-0.3 60,-0.1 -2,-0.2 0.610 120.0 28.8 -98.9 -12.4 16.5 15.4 -6.4 16 24 A L H << S+ 0 0 13 -3,-1.4 230,-1.4 -4,-0.6 2,-0.3 0.520 92.2 109.3-125.4 -13.1 17.9 15.0 -2.9 17 25 A D X - 0 0 38 -4,-2.1 4,-2.9 -5,-0.2 3,-0.4 -0.501 63.4-140.2 -80.3 126.6 15.2 16.5 -0.7 18 26 A V H > S+ 0 0 26 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.846 101.1 53.2 -50.7 -39.4 13.1 14.3 1.5 19 27 A N H 4 S+ 0 0 120 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.844 117.4 36.3 -70.8 -33.3 9.9 16.4 0.8 20 28 A S H >4 S+ 0 0 51 -3,-0.4 3,-0.6 -7,-0.2 4,-0.2 0.893 111.4 58.4 -80.6 -47.8 10.3 16.2 -3.0 21 29 A V H 3< + 0 0 1 -4,-2.9 228,-0.4 1,-0.2 -2,-0.2 0.709 68.6 103.7 -64.1 -26.1 11.6 12.7 -3.3 22 30 A T T 3< S+ 0 0 60 -4,-1.3 227,-0.2 -5,-0.2 -1,-0.2 0.788 85.4 48.5 -17.8 -66.0 8.8 10.8 -1.6 23 31 A S < 0 0 107 -3,-0.6 -1,-0.1 225,-0.1 -2,-0.1 0.869 360.0 360.0 -35.5 -78.5 7.6 9.7 -5.1 24 32 A V 0 0 117 -4,-0.2 225,-3.1 224,-0.1 -1,-0.0 0.261 360.0 360.0 -47.2 360.0 11.0 8.5 -6.4 25 ! 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 26 46 A T 0 0 146 0, 0.0 2,-1.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 67.3 13.2 17.4 -21.8 27 47 A L - 0 0 198 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.151 360.0-156.0 77.8 -46.4 10.7 19.3 -19.5 28 48 A D > + 0 0 71 -2,-1.1 3,-0.5 1,-0.1 -1,-0.2 0.693 39.1 172.1 40.9 89.2 14.1 21.1 -18.8 29 49 A T G > + 0 0 87 -3,-0.2 3,-0.9 1,-0.2 4,-0.2 0.510 63.4 82.0 -89.3 -12.8 14.7 22.8 -15.6 30 50 A L G > + 0 0 20 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.458 66.7 83.4 -85.3 -7.3 18.4 23.6 -16.0 31 51 A T G X S+ 0 0 88 -3,-0.5 3,-2.1 1,-0.3 -1,-0.3 0.891 84.0 63.2 -66.9 -36.9 18.0 26.6 -18.1 32 52 A A G X S+ 0 0 55 -3,-0.9 3,-0.5 1,-0.3 -1,-0.3 0.712 94.3 60.2 -63.0 -27.6 17.5 28.6 -14.9 33 53 A F G < S+ 0 0 14 -3,-0.7 5,-0.4 1,-0.2 -1,-0.3 0.494 100.5 70.7 -70.9 -0.7 21.1 27.7 -13.8 34 54 A L G < S+ 0 0 30 -3,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.411 79.5 49.2-110.0 -2.3 22.2 29.5 -16.9 35 55 A G S < S- 0 0 48 -3,-0.5 3,-0.3 -4,-0.1 27,-0.1 0.504 126.8 -30.3 -99.2 -95.2 22.0 33.1 -17.3 36 56 A R S S+ 0 0 196 1,-0.2 3,-0.1 25,-0.1 -2,-0.1 0.059 109.7 106.6-103.9 30.8 23.4 35.2 -14.6 37 57 A S S S+ 0 0 28 1,-0.2 63,-3.4 25,-0.1 2,-0.5 0.862 75.5 26.3 -82.4 -39.6 22.5 32.6 -11.9 38 58 A V E -E 99 0B 1 -5,-0.4 24,-1.6 -3,-0.3 2,-0.4 -0.958 64.3-165.9-136.2 126.1 25.7 31.0 -10.8 39 59 A S E -EF 98 61B 4 59,-2.9 59,-3.1 -2,-0.5 2,-0.4 -0.875 5.8-168.1-116.1 148.8 29.2 32.3 -10.8 40 60 A L E -EF 97 60B 0 20,-3.0 20,-1.9 -2,-0.4 2,-0.4 -0.996 0.1-171.4-125.3 141.7 32.6 30.9 -10.5 41 61 A Q E -E 96 0B 40 55,-2.4 55,-3.4 -2,-0.4 18,-0.1 -0.987 19.1-139.1-136.1 118.4 36.0 32.7 -9.9 42 62 A L E -E 95 0B 1 -2,-0.4 15,-2.1 16,-0.3 2,-0.4 -0.300 10.6-148.2 -78.9 150.5 39.3 30.8 -10.1 43 63 A I E -EG 94 56B 0 51,-2.8 50,-2.5 13,-0.2 51,-1.4 -0.996 18.3-119.7-127.1 130.3 42.1 31.5 -7.6 44 64 A S E -E 92 0B 0 11,-2.6 46,-0.1 -2,-0.4 51,-0.0 -0.518 15.9-167.2 -72.6 136.2 45.8 31.1 -8.5 45 65 A A E S+ 0 0 11 46,-3.4 111,-0.2 -2,-0.2 -1,-0.1 0.591 89.3 30.3 -88.4 -18.1 47.9 28.6 -6.6 46 66 A T E S+ 0 0 76 45,-0.5 2,-0.4 43,-0.3 44,-0.1 0.574 108.7 66.0-120.9 -7.9 51.3 29.9 -7.9 47 67 A K E - 0 0 91 42,-0.3 8,-2.2 44,-0.2 2,-0.2 -0.980 68.6-154.6-119.8 125.8 50.8 33.7 -8.6 48 68 A A E - G 0 54B 48 -2,-0.4 6,-0.3 6,-0.3 5,-0.1 -0.577 9.7-128.4-108.1 154.2 50.1 36.1 -5.7 49 69 A D > - 0 0 68 4,-4.1 3,-1.2 -2,-0.2 -1,-0.1 -0.002 60.2 -64.5 -75.3-168.0 48.5 39.5 -5.2 50 70 A A T 3 S+ 0 0 105 1,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.946 132.8 30.9 -46.6 -52.6 50.1 42.4 -3.4 51 71 A N T 3 S- 0 0 102 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 -0.319 124.2 -78.2-118.3 45.8 50.3 40.6 -0.1 52 72 A G S < S+ 0 0 39 -3,-1.2 105,-0.2 -2,-0.3 2,-0.1 0.055 87.5 125.1 102.3 -18.7 50.7 37.0 -0.6 53 73 A K - 0 0 58 1,-0.1 -4,-4.1 -5,-0.1 -1,-0.3 -0.447 68.6 -95.6 -81.3 140.2 47.3 35.9 -1.5 54 74 A G E -G 48 0B 0 101,-2.8 -6,-0.3 -6,-0.3 2,-0.2 -0.220 43.2-107.8 -54.1 141.6 46.5 34.0 -4.7 55 75 A K E - 0 0 101 -8,-2.2 -11,-2.6 34,-0.1 2,-0.3 -0.524 30.2-130.6 -75.1 141.9 45.2 36.2 -7.7 56 76 A L E -G 43 0B 82 -13,-0.2 -13,-0.2 -2,-0.2 3,-0.1 -0.727 10.9-147.7 -98.2 132.8 41.5 35.9 -8.8 57 77 A G - 0 0 19 -15,-2.1 2,-0.3 -2,-0.3 -1,-0.1 0.056 47.3 -65.9 -73.2-163.2 40.3 35.4 -12.3 58 78 A K - 0 0 137 26,-0.4 -16,-0.3 1,-0.0 -1,-0.2 -0.714 51.2-106.3 -91.1 142.9 37.0 36.9 -13.5 59 79 A A - 0 0 50 -2,-0.3 2,-0.4 -18,-0.1 -18,-0.2 -0.507 48.0-166.4 -69.6 129.8 33.8 35.8 -12.0 60 80 A T E -F 40 0B 26 -20,-1.9 -20,-3.0 -2,-0.1 2,-0.1 -0.994 9.9-133.6-127.6 132.7 32.4 33.7 -14.8 61 81 A F E -F 39 0B 41 -2,-0.4 21,-0.3 -22,-0.2 2,-0.2 -0.446 34.9 -82.8 -89.3 153.2 28.8 32.5 -15.2 62 82 A L - 0 0 2 -24,-1.6 2,-0.5 -29,-0.3 19,-0.2 -0.378 42.1-165.4 -50.1 122.1 27.6 29.0 -16.1 63 83 A E - 0 0 115 17,-2.0 17,-0.1 -2,-0.2 -1,-0.1 -0.664 45.6 -20.0-119.5 78.0 27.5 28.6 -19.8 64 84 A G - 0 0 6 -2,-0.5 16,-2.5 15,-0.1 -1,-0.2 0.217 61.1 -91.4 110.9 142.2 25.5 25.6 -21.1 65 85 A I E -C 79 0A 53 14,-0.2 2,-0.6 -3,-0.1 14,-0.3 -0.520 28.3-149.8 -80.9 139.6 24.0 22.3 -20.3 66 86 A I E -C 78 0A 31 12,-2.7 12,-0.7 -2,-0.2 3,-0.1 -0.965 9.3-163.7-110.7 113.9 26.1 19.2 -20.9 67 87 A T + 0 0 135 -2,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.844 62.8 8.6 -66.7 -34.5 23.6 16.4 -21.8 68 88 A S + 0 0 93 4,-0.0 -1,-0.1 9,-0.0 3,-0.0 -0.988 51.5 167.8-155.1 140.4 25.8 13.4 -21.3 69 89 A L > - 0 0 62 -2,-0.4 3,-0.9 -3,-0.1 4,-0.3 -0.926 43.0-115.5-146.2 157.6 29.2 12.3 -20.0 70 90 A P T 3 S+ 0 0 141 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.803 116.0 39.5 -62.2 -27.6 30.5 8.8 -19.3 71 91 A T T 3 S+ 0 0 132 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.447 84.5 113.1-106.5 1.9 30.9 9.6 -15.6 72 92 A L < - 0 0 26 -3,-0.9 -1,-0.1 1,-0.1 4,-0.0 0.890 50.9-169.6 -51.0 -71.8 27.7 11.5 -15.0 73 93 A G > - 0 0 50 -4,-0.3 3,-2.4 -3,-0.1 -1,-0.1 0.234 31.7 -39.9 99.1 138.6 25.4 9.5 -12.8 74 94 A A T 3 S+ 0 0 87 1,-0.3 3,-0.1 3,-0.0 173,-0.1 -0.071 122.0 1.6 -50.8 129.2 21.9 9.5 -11.4 75 95 A G T 3 S+ 0 0 25 1,-0.2 -63,-0.5 172,-0.0 2,-0.3 0.475 98.6 126.8 73.9 3.9 20.5 12.9 -10.5 76 96 A Q < - 0 0 54 -3,-2.4 2,-0.4 -65,-0.1 -1,-0.2 -0.743 41.3-164.2 -94.5 145.4 23.5 14.7 -11.5 77 97 A S E -A 10 0A 9 -67,-3.1 -67,-2.5 -2,-0.3 2,-0.3 -0.964 9.2-153.2-125.3 138.9 23.4 17.7 -14.0 78 98 A A E -AC 9 66A 2 -12,-0.7 -12,-2.7 -2,-0.4 2,-0.4 -0.919 7.9-166.3-118.6 153.9 26.5 19.1 -15.8 79 99 A F E -AC 8 65A 0 -71,-2.0 -71,-2.2 -2,-0.3 -14,-0.2 -0.997 16.8-131.1-146.0 130.4 27.3 22.5 -17.1 80 100 A K E +A 7 0A 115 -16,-2.5 -17,-2.0 -2,-0.4 2,-0.3 -0.557 30.4 165.0 -78.5 148.4 29.9 23.9 -19.4 81 101 A I E -A 6 0A 1 -75,-1.6 -75,-3.0 -2,-0.2 2,-0.5 -0.903 20.4-151.8-164.7 133.4 31.8 27.1 -18.3 82 102 A N E -A 5 0A 63 -2,-0.3 2,-0.5 -21,-0.3 -77,-0.2 -0.940 8.2-148.7-123.1 124.7 35.1 28.6 -19.8 83 103 A F E -A 4 0A 3 -79,-3.0 -79,-3.4 -2,-0.5 2,-0.5 -0.815 15.8-131.1-102.2 125.8 37.5 30.6 -17.8 84 104 A E E +A 3 0A 108 -2,-0.5 -26,-0.4 -81,-0.2 2,-0.3 -0.577 52.4 146.2 -66.7 114.1 39.5 33.4 -19.4 85 105 A W - 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0 0 75 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.825 36.8 -75.8-127.8 149.0 21.6 -23.1 38.6 468 488 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.221 45.1-179.4 -57.1 143.3 20.7 -24.9 35.3 469 489 A A - 0 0 34 6,-0.1 9,-0.1 5,-0.1 10,-0.1 -0.967 18.1-172.7-146.4 131.3 17.6 -27.0 35.1 470 490 A D + 0 0 157 -2,-0.3 2,-0.4 1,-0.1 -1,-0.0 0.454 69.2 47.4 -98.0 -18.7 16.3 -29.0 32.1 471 491 A E S >> S- 0 0 156 0, 0.0 4,-0.7 0, 0.0 3,-0.5 -0.995 92.6 -14.1-135.0 145.2 12.9 -30.1 33.5 472 492 A G H >> S- 0 0 46 -2,-0.4 3,-1.3 1,-0.2 4,-0.9 -0.093 106.2 -26.6 79.2-165.8 9.9 -29.0 35.3 473 493 A V H 3> S+ 0 0 13 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.756 133.2 62.8 -53.7 -33.1 9.1 -25.8 37.2 474 494 A E H <> S+ 0 0 112 -3,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.862 99.0 53.2 -63.4 -38.1 12.9 -25.5 37.9 475 495 A S H S+ 0 0 45 -4,-2.0 4,-2.2 1,-0.2 5,-2.1 0.919 113.1 53.2 -67.2 -35.7 23.9 -1.9 28.7 493 513 A H H <>S+ 0 0 6 -4,-3.1 5,-2.0 -5,-0.2 6,-0.3 0.975 113.1 42.7 -63.5 -47.1 24.2 -2.9 25.1 494 514 A Q H <>S+ 0 0 6 -4,-2.6 5,-2.2 -5,-0.2 -2,-0.2 0.942 124.1 31.4 -66.5 -45.8 21.9 -0.1 24.0 495 515 A L H <>S+ 0 0 0 -4,-2.7 5,-1.9 3,-0.2 -1,-0.2 0.848 135.1 19.4 -80.2 -37.2 23.2 2.8 26.1 496 516 A V I <>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.4 -3,-0.2 0.883 124.3 40.6-103.0 -58.2 26.9 1.8 26.4 497 517 A S I XS+ 0 0 7 -5,-2.0 4,-1.5 -6,-0.4 5,-0.9 0.863 130.9 31.9 -95.8 -70.5 26.1 1.1 21.1 499 519 A X I 4XS+ 0 0 6 -5,-2.2 5,-3.1 -6,-0.3 6,-0.4 0.974 128.8 30.3 -59.1 -55.2 25.2 4.7 22.0 500 520 A L I 4XS+ 0 0 1 -5,-1.9 5,-1.9 1,-0.2 6,-0.2 0.972 121.6 46.7 -70.0 -49.9 28.1 5.7 24.1 501 521 A N T 4X S+ 0 0 2 -4,-1.9 4,-1.0 -6,-0.2 3,-1.0 0.806 91.4 74.9 -73.5 -36.4 32.9 9.6 17.8 507 527 A E H >X S+ 0 0 2 -4,-1.1 4,-1.6 -5,-0.3 3,-0.7 0.841 89.1 55.3 -49.9 -43.4 31.1 12.9 17.5 508 528 A P H 3> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.837 102.5 59.2 -63.1 -28.3 33.8 15.1 19.1 509 529 A F H <> S+ 0 0 8 -3,-1.0 4,-2.4 -4,-0.4 -2,-0.2 0.871 103.9 50.5 -60.9 -33.5 36.3 13.7 16.6 510 530 A I H - 0 0 2 -2,-0.5 3,-2.3 1,-0.1 6,-0.3 -0.348 25.7-110.6 -67.2 152.5 41.7 21.6 6.2 519 539 A V T 3 S+ 0 0 53 1,-0.3 -1,-0.1 5,-0.1 9,-0.1 0.720 122.0 57.3 -51.9 -22.3 39.7 19.6 3.6 520 540 A V T 3 S+ 0 0 7 4,-0.1 -373,-2.0 -374,-0.1 -1,-0.3 0.599 81.6 108.8 -86.8 -11.3 43.1 19.4 1.8 521 541 A H S <> S- 0 0 0 -3,-2.3 4,-2.1 -375,-0.2 3,-0.4 -0.367 73.2-131.8 -73.0 135.3 44.9 17.8 4.8 522 542 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.861 107.2 51.5 -54.3 -37.1 45.8 14.1 4.3 523 543 A I H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.831 105.1 55.6 -71.6 -33.7 44.3 13.1 7.7 524 544 A Y H > S+ 0 0 27 -3,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.957 109.6 48.0 -60.4 -47.7 41.0 14.9 6.9 525 545 A K H < S+ 0 0 22 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.859 110.2 52.2 -65.7 -32.6 40.8 12.8 3.8 526 546 A L H < S+ 0 0 3 -4,-1.6 -1,-0.2 -5,-0.2 4,-0.2 0.939 119.8 31.5 -65.8 -47.8 41.6 9.6 5.7 527 547 A L H >< S+ 0 0 6 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.710 96.1 86.8 -82.8 -28.2 39.0 10.0 8.3 528 548 A H G >< S+ 0 0 67 -4,-2.5 3,-2.0 1,-0.3 4,-0.3 0.850 84.7 53.7 -50.2 -46.4 36.2 11.9 6.4 529 549 A P G > S+ 0 0 19 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.788 101.9 62.9 -61.4 -25.3 34.4 8.9 5.0 530 550 A H G < S+ 0 0 6 -3,-1.3 305,-0.5 1,-0.2 -2,-0.2 0.501 97.6 55.0 -75.9 -2.2 34.1 7.5 8.4 531 551 A Y G X S+ 0 0 1 -3,-2.0 3,-1.7 -4,-0.3 4,-0.5 0.377 74.6 145.8-108.2 2.8 32.0 10.5 9.8 532 552 A R T < S- 0 0 36 -3,-0.9 -290,-0.1 -4,-0.3 229,-0.1 -0.168 79.6 -18.9 -56.3 118.9 29.2 10.2 7.1 533 553 A D T 3> S+ 0 0 9 -291,-0.3 4,-2.5 -292,-0.2 -1,-0.3 0.383 101.3 122.0 68.2 3.5 25.7 11.1 8.5 534 554 A T H <> S+ 0 0 0 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.922 71.1 46.1 -62.9 -48.4 26.9 10.6 12.0 535 555 A M H > S+ 0 0 7 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.844 112.7 54.8 -65.5 -29.6 26.2 14.1 13.4 536 556 A N H > S+ 0 0 30 -294,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.943 109.0 45.4 -66.1 -50.3 22.7 13.9 11.7 537 557 A I H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.883 115.6 47.8 -65.7 -34.7 21.9 10.5 13.4 538 558 A N H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.904 106.9 55.6 -72.9 -36.6 23.0 11.9 16.7 539 559 A G H X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.909 111.9 45.0 -61.0 -43.3 21.1 15.1 16.3 540 560 A L H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 5,-0.5 0.815 107.7 55.5 -68.7 -34.4 17.9 13.0 15.8 541 561 A A H X>S+ 0 0 2 -4,-1.9 5,-2.6 2,-0.2 4,-1.4 0.866 106.0 54.0 -68.3 -34.5 18.7 10.7 18.7 542 562 A R H <5S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.954 115.5 41.4 -61.3 -37.8 18.9 13.9 20.9 543 563 A L H <5S+ 0 0 12 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.844 137.3 2.3 -74.1 -38.1 15.5 14.8 19.6 544 564 A S H <5S+ 0 0 7 -4,-2.4 7,-1.5 -5,-0.1 -3,-0.2 0.549 125.2 44.3-136.3 -9.9 13.7 11.4 19.7 545 565 A X T <5S+ 0 0 14 -4,-1.4 7,-2.0 -5,-0.5 8,-0.5 0.844 118.9 23.0-105.7 -44.7 15.8 8.6 21.1 546 566 A V S S- 0 0 16 -6,-0.4 3,-2.0 1,-0.1 6,-0.4 -0.449 84.5 -86.4 -90.8 161.1 15.5 12.4 25.3 548 568 A D T 3 S+ 0 0 18 -358,-2.9 -357,-0.1 1,-0.3 -348,-0.1 0.877 126.0 26.5 -37.9 -57.8 13.1 12.8 28.3 549 569 A G T 3 S+ 0 0 41 -359,-0.2 -1,-0.3 -350,-0.1 5,-0.1 0.773 102.8 136.7 -83.3 5.6 10.1 11.3 26.8 550 570 A G <> - 0 0 5 -3,-2.0 4,-2.1 3,-0.1 -5,-0.2 0.519 68.1-106.9 -70.4-173.4 11.9 9.1 24.4 551 571 A V H > S+ 0 0 9 -7,-1.5 4,-0.6 1,-0.2 -6,-0.1 0.802 116.4 50.8 -73.4 -30.7 12.0 5.6 23.0 552 572 A I H >> S+ 0 0 3 -7,-2.0 4,-2.1 2,-0.2 3,-0.9 0.937 112.1 46.4 -69.5 -47.6 15.1 4.5 24.9 553 573 A E H 34 S+ 0 0 23 -8,-0.5 -2,-0.2 -6,-0.4 -1,-0.2 0.941 116.1 47.8 -58.9 -43.0 13.7 5.7 28.3 554 574 A Q H 3< S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.624 122.0 32.9 -71.1 -8.6 10.3 4.0 27.4 555 575 A T H << S+ 0 0 1 -3,-0.9 2,-0.2 -4,-0.6 -1,-0.2 0.740 100.5 65.6-121.3 -37.8 11.8 0.7 26.4 556 576 A F S >< S- 0 0 12 -4,-2.1 3,-1.7 -5,-0.1 153,-0.2 -0.658 81.7-104.0 -99.2 158.8 15.0 -0.3 28.1 557 577 A L T 3 S+ 0 0 0 151,-1.1 -69,-0.1 -70,-0.4 -132,-0.1 0.833 108.9 59.4 -51.2 -47.4 15.6 -1.3 31.7 558 578 A W T > S- 0 0 5 1,-0.2 3,-2.3 -70,-0.1 -1,-0.3 0.597 80.2-179.7 -70.8 1.3 17.3 1.8 33.1 559 579 A G G X + 0 0 17 -3,-1.7 3,-1.8 1,-0.3 4,-0.2 -0.114 64.3 4.4 44.8-129.4 14.4 3.9 32.3 560 580 A R G 3 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.636 133.0 56.1 -60.3 -12.7 14.7 7.6 33.2 561 581 A Y G <> S+ 0 0 43 -3,-2.3 4,-3.1 1,-0.2 -1,-0.3 0.385 75.0 109.0-105.9 7.5 18.2 7.0 34.3 562 582 A S H <> S+ 0 0 0 -3,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.829 81.0 35.6 -51.7 -55.3 19.4 5.6 31.1 563 583 A V H > S+ 0 0 9 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.897 116.8 52.0 -76.0 -42.8 21.6 8.4 29.8 564 584 A E H >> S+ 0 0 23 -4,-0.3 4,-1.9 1,-0.2 3,-0.6 0.896 108.4 55.0 -59.9 -39.3 23.0 9.5 33.2 565 585 A M H 3X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.846 103.3 52.7 -61.6 -33.4 23.9 6.0 33.8 566 586 A S H 3X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.3 0.706 105.0 56.7 -70.5 -28.2 25.9 5.8 30.7 567 587 A A H < S+ 0 0 54 -4,-1.9 3,-1.7 2,-0.2 4,-0.3 0.960 109.9 49.6 -63.0 -45.2 28.8 7.2 34.9 569 589 A V H >< S+ 0 0 20 -4,-2.1 3,-3.6 1,-0.3 4,-0.3 0.946 100.7 65.8 -56.6 -38.8 30.0 4.2 32.7 570 590 A Y H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.711 82.7 76.7 -59.4 -19.7 31.9 6.8 30.7 571 591 A K T << S+ 0 0 99 -3,-1.7 -1,-0.3 -4,-0.7 -2,-0.2 0.798 99.5 42.9 -57.9 -24.7 34.0 7.3 33.8 572 592 A D T < S+ 0 0 113 -3,-3.6 2,-0.3 -4,-0.3 -1,-0.3 0.345 86.2 122.8-100.9 4.1 35.7 4.1 32.8 573 593 A W < - 0 0 8 -3,-1.6 2,-0.5 -4,-0.3 -3,-0.0 -0.516 38.3-173.2 -73.3 126.7 36.0 4.7 29.1 574 594 A V > - 0 0 17 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 -0.960 20.3-147.3-123.8 117.4 39.5 4.5 27.8 575 595 A F G > S+ 0 0 3 -2,-0.5 3,-1.4 1,-0.2 4,-0.3 0.869 98.1 47.5 -42.0 -46.8 40.3 5.5 24.3 576 596 A T G > S+ 0 0 33 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.752 103.5 63.3 -79.3 -17.3 43.2 3.0 23.8 577 597 A D G < S+ 0 0 41 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.421 88.4 72.1 -83.2 0.4 41.1 0.1 25.2 578 598 A Q G < S+ 0 0 30 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.688 72.3 97.7 -82.9 -28.3 38.7 0.6 22.3 579 599 A A S <> S- 0 0 1 -3,-0.9 4,-2.1 -4,-0.3 5,-0.2 -0.461 86.2-124.1 -56.1 137.7 41.3 -0.9 20.0 580 600 A L H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 104.7 49.9 -59.9 -42.6 40.2 -4.5 19.6 581 601 A P H > S+ 0 0 23 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.924 112.7 47.5 -63.7 -40.3 43.4 -6.2 20.7 582 602 A A H > S+ 0 0 29 -6,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.834 110.2 55.2 -62.6 -37.5 43.7 -4.1 23.8 583 603 A D H X S+ 0 0 24 -4,-2.1 4,-1.9 1,-0.2 6,-0.2 0.932 108.2 47.3 -64.3 -40.6 40.0 -4.8 24.5 584 604 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 6,-1.0 0.866 113.0 47.6 -70.1 -39.3 40.5 -8.5 24.4 585 605 A I H ><5S+ 0 0 67 -4,-1.9 3,-1.6 4,-0.2 -1,-0.2 0.928 109.4 53.4 -70.2 -40.5 43.5 -8.5 26.6 586 606 A K H 3<5S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.930 111.0 47.1 -62.7 -34.9 41.9 -6.2 29.1 587 607 A R T 3<5S- 0 0 7 -4,-1.9 -228,-2.3 -5,-0.2 -1,-0.3 0.493 114.2-115.0 -84.3 -1.6 38.9 -8.7 29.4 588 608 A G T < 5S+ 0 0 10 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.614 85.7 117.8 79.1 14.1 41.2 -11.7 29.7 589 609 A M S - 0 0 35 6,-2.4 3,-1.2 3,-0.1 5,-0.1 -0.715 35.3-161.1-159.0 107.4 51.7 -14.0 21.9 594 614 A P T 3 S+ 0 0 127 0, 0.0 5,-0.2 0, 0.0 6,-0.1 0.734 87.2 72.4 -65.2 -18.4 54.1 -13.5 19.0 595 615 A S T 3 S+ 0 0 110 4,-0.1 5,-0.0 3,-0.1 6,-0.0 0.828 87.8 84.7 -56.0 -31.0 53.5 -17.1 17.6 596 616 A C S X S- 0 0 34 -3,-1.2 3,-2.2 1,-0.1 5,-0.1 -0.319 91.2-101.2 -97.1 153.8 50.0 -16.2 16.3 597 617 A P T 3 S+ 0 0 123 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.689 119.8 18.1 -32.1 -41.6 48.3 -14.7 13.3 598 618 A H T 3 S- 0 0 40 2,-0.5 3,-0.1 -5,-0.1 -3,-0.1 -0.016 116.8 -93.5-126.1 31.7 47.7 -11.1 14.8 599 619 A G S < S+ 0 0 33 -3,-2.2 -6,-2.4 -5,-0.2 2,-0.4 0.613 100.5 99.3 67.8 13.1 50.2 -11.3 17.7 600 620 A I E -V 592 0L 16 -8,-0.2 2,-0.6 -6,-0.1 -2,-0.5 -0.983 60.0-152.2-135.8 139.5 47.4 -12.5 20.0 601 621 A R E -V 591 0L 122 -10,-2.3 -10,-2.4 -2,-0.4 2,-0.2 -0.958 24.2-138.7-109.9 123.2 46.4 -15.9 21.3 602 622 A L E -V 590 0L 23 -2,-0.6 2,-0.3 -12,-0.2 -12,-0.3 -0.521 5.3-144.4 -82.0 137.9 42.6 -16.2 22.0 603 623 A V S S+ 0 0 6 -14,-2.7 -200,-0.1 1,-0.2 -201,-0.1 -0.752 99.5 30.8 -85.3 152.7 41.2 -18.0 25.1 604 624 A I S S- 0 0 8 -2,-0.3 3,-0.3 -202,-0.2 -1,-0.2 0.882 81.0-160.4 52.0 92.6 38.0 -19.4 23.5 605 625 A E S S+ 0 0 159 1,-0.3 2,-1.5 -3,-0.1 6,-0.1 0.905 83.8 60.5 -73.0 -38.9 39.3 -19.9 19.9 606 626 A D + 0 0 34 -166,-0.2 -1,-0.3 -4,-0.1 200,-0.1 -0.536 64.5 132.0 -91.7 65.9 35.8 -20.0 18.5 607 627 A Y > - 0 0 0 -2,-1.5 4,-2.7 -3,-0.3 5,-0.3 -0.916 42.5-161.8-114.4 95.2 34.7 -16.5 19.6 608 628 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.833 81.9 50.4 -49.8 -49.8 33.2 -15.2 16.3 609 629 A Y H > S+ 0 0 1 -260,-1.9 4,-2.6 1,-0.2 5,-0.2 0.898 117.3 41.7 -54.3 -48.3 33.2 -11.5 17.0 610 630 A T H > S+ 0 0 0 -261,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.927 114.4 47.0 -72.4 -43.3 36.8 -11.6 18.0 611 631 A V H X S+ 0 0 25 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.865 120.4 39.3 -69.0 -36.8 38.2 -13.9 15.4 612 632 A D H >X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.3 3,-0.8 0.926 114.7 54.8 -79.5 -39.6 36.5 -12.1 12.6 613 633 A G H 3X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.4 5,-0.2 0.830 100.7 58.3 -62.8 -28.3 37.1 -8.7 14.1 614 634 A L H 3X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.847 104.3 52.5 -69.1 -33.2 40.8 -9.2 14.4 615 635 A E H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 3,-1.1 0.977 112.4 45.1 -64.7 -55.3 48.6 6.1 4.4 628 648 A V H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 3,-0.5 0.896 114.2 50.7 -60.5 -33.5 50.1 7.9 7.3 629 649 A F H 3< S+ 0 0 65 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.618 101.5 61.7 -83.6 -8.4 53.6 6.8 6.3 630 650 A L H << S+ 0 0 47 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.780 117.2 30.7 -74.8 -33.0 53.1 8.1 2.7 631 651 A Y H < S+ 0 0 26 -4,-1.1 2,-0.7 -3,-0.5 -2,-0.2 0.738 110.3 64.1 -97.4 -29.8 52.6 11.6 4.1 632 652 A Y < - 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 3,-0.1 -0.854 56.2-171.7-109.0 107.5 54.7 11.8 7.3 633 653 A K S S- 0 0 191 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.681 70.9 -7.2 -70.5 -19.7 58.4 11.5 6.5 634 654 A S S >> S- 0 0 39 1,-0.1 4,-0.8 37,-0.0 3,-0.8 -0.956 75.6 -97.3-166.4 167.7 59.5 11.4 10.1 635 655 A D H 3> S+ 0 0 42 -2,-0.3 4,-1.7 1,-0.3 3,-0.3 0.766 121.8 62.2 -69.8 -24.0 58.1 11.7 13.6 636 656 A D H 3> S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.764 95.5 59.2 -67.2 -34.6 59.4 15.2 13.6 637 657 A T H <4 S+ 0 0 31 -3,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.783 107.7 46.8 -62.4 -30.7 57.1 16.0 10.6 638 658 A L H >< S+ 0 0 0 -4,-0.8 3,-0.7 -3,-0.3 -2,-0.2 0.860 108.7 52.7 -81.7 -35.8 54.1 15.1 12.7 639 659 A R H 3< S+ 0 0 95 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.1 49.4 -65.8 -30.4 55.3 17.1 15.7 640 660 A E T 3< S+ 0 0 135 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.498 80.6 104.7 -82.0 -10.6 55.6 20.0 13.4 641 661 A D <> - 0 0 4 -3,-0.7 4,-1.9 -4,-0.4 5,-0.2 -0.639 51.1-169.6 -74.0 112.4 52.1 19.8 11.8 642 662 A P H > S+ 0 0 75 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.790 83.2 51.5 -78.2 -19.6 50.2 22.6 13.5 643 663 A E H > S+ 0 0 11 2,-0.2 4,-2.3 -494,-0.2 5,-0.2 0.944 112.0 45.8 -81.9 -44.7 46.8 21.6 12.2 644 664 A L H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.943 115.7 47.0 -62.9 -40.2 47.2 18.0 13.4 645 665 A Q H X S+ 0 0 46 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.869 112.6 46.5 -71.0 -43.1 48.5 19.2 16.8 646 666 A A H X S+ 0 0 41 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.881 113.1 53.1 -61.9 -34.8 45.7 21.8 17.4 647 667 A C H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.954 111.6 43.9 -63.6 -47.2 43.2 19.2 16.3 648 668 A W H X S+ 0 0 21 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.890 112.4 53.3 -65.5 -43.3 44.5 16.6 18.8 649 669 A K H X S+ 0 0 123 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.890 110.7 45.7 -55.6 -52.0 44.7 19.3 21.5 650 670 A E H X>S+ 0 0 24 -4,-2.5 4,-2.5 2,-0.2 5,-2.0 0.889 110.9 54.5 -61.9 -37.6 41.1 20.3 21.1 651 671 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 -5,-0.2 -2,-0.2 0.970 117.5 34.7 -62.9 -48.5 40.0 16.7 21.0 652 672 A V H <5S+ 0 0 17 -4,-2.9 7,-0.3 3,-0.2 -2,-0.2 0.917 126.1 39.6 -71.4 -38.3 41.6 15.9 24.3 653 673 A E H <5S+ 0 0 88 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.741 135.0 6.8 -84.2 -27.9 41.0 19.2 26.0 654 674 A V T ><5S+ 0 0 58 -4,-2.5 3,-1.8 -5,-0.2 4,-0.2 0.734 125.4 47.5-122.6 -59.7 37.6 20.1 24.9 655 675 A G T 3 - 0 0 154 -2,-0.1 2,-1.5 -3,-0.1 3,-0.6 -0.770 17.3-127.0 -95.8 139.0 50.6 12.1 22.4 668 688 A M T 3 S+ 0 0 5 -2,-0.4 3,-0.1 1,-0.2 -20,-0.1 -0.506 81.0 111.0 -87.7 68.9 50.8 12.9 18.7 669 689 A Q T 3 S+ 0 0 80 -2,-1.5 2,-0.4 1,-0.1 -30,-0.2 0.350 70.5 47.3-109.5 -5.1 54.5 12.8 18.9 670 690 A T S <> S- 0 0 32 -3,-0.6 4,-1.2 1,-0.1 3,-0.4 -0.994 75.6-128.7-138.4 149.3 55.1 9.7 16.9 671 691 A R H > S+ 0 0 50 -2,-0.4 4,-2.4 1,-0.2 3,-0.3 0.884 112.0 56.2 -64.1 -34.7 53.8 8.4 13.6 672 692 A E H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.812 102.1 54.4 -61.0 -43.0 52.8 5.2 15.3 673 693 A E H > S+ 0 0 61 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.793 109.4 48.9 -58.6 -35.4 50.7 7.0 17.9 674 694 A L H X S+ 0 0 2 -4,-1.2 4,-3.1 -3,-0.3 5,-0.3 0.919 110.1 50.3 -74.3 -42.6 48.7 8.7 14.9 675 695 A V H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.963 111.8 49.9 -61.6 -42.6 48.2 5.3 13.2 676 696 A E H X S+ 0 0 52 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.922 114.0 43.1 -64.1 -45.5 47.0 4.0 16.5 677 697 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.899 115.0 48.7 -64.7 -40.6 44.5 6.8 17.1 678 698 A C H X S+ 0 0 2 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.904 110.8 51.5 -69.5 -37.6 43.3 6.8 13.5 679 699 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 -1,-0.2 0.885 109.8 50.6 -62.5 -39.7 42.8 3.0 13.5 680 700 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.913 110.9 47.5 -63.8 -50.0 40.7 3.3 16.7 681 701 A I H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.894 115.7 44.8 -57.7 -46.5 38.5 6.0 15.2 682 702 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.928 113.1 51.8 -65.6 -39.5 38.0 4.0 12.0 683 703 A W H <>S+ 0 0 2 -4,-2.9 5,-2.7 1,-0.2 6,-0.5 0.908 111.3 47.1 -59.9 -44.8 37.4 0.8 14.0 684 704 A T H <>S+ 0 0 4 -4,-2.4 5,-1.0 1,-0.2 -1,-0.2 0.875 115.9 42.0 -68.1 -41.4 34.8 2.5 16.1 685 705 A A H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.677 127.5 28.3 -80.2 -20.6 32.9 4.1 13.3 686 706 A S T X5S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -3,-0.2 0.770 127.9 11.9-106.0 -84.2 33.0 1.1 11.0 687 707 A A H >5S+ 0 0 0 -5,-0.3 4,-2.6 2,-0.2 -3,-0.2 0.796 124.1 51.4 -74.1 -39.2 33.3 -2.5 12.3 688 708 A L H >< S+ 0 0 0 -4,-1.6 3,-1.5 -5,-0.3 4,-0.3 0.878 104.0 54.2-102.7 -48.9 24.1 -2.5 15.5 694 714 A F T 3< S+ 0 0 1 -4,-2.3 -3,-0.1 1,-0.3 -4,-0.1 0.595 102.7 57.8 -75.4 -2.6 23.2 -4.8 12.6 695 715 A G T 3> S+ 0 0 0 -5,-0.3 4,-1.8 -4,-0.2 5,-0.5 0.417 78.6 96.6 -98.0 3.0 22.3 -7.8 14.6 696 716 A Q H <> S+ 0 0 8 -3,-1.5 4,-3.0 2,-0.2 5,-0.2 0.969 93.1 30.9 -61.6 -48.8 19.6 -6.0 16.7 697 717 A Y H > S+ 0 0 1 53,-0.5 4,-1.9 -4,-0.3 5,-0.2 0.959 116.8 56.2 -75.7 -45.5 16.6 -7.1 14.7 698 718 A P H 4 S+ 0 0 5 0, 0.0 -368,-2.2 0, 0.0 -1,-0.2 0.808 126.6 21.5 -54.4 -34.4 17.9 -10.5 13.6 699 719 A Y H < S+ 0 0 0 -4,-1.8 3,-0.3 -370,-0.1 -2,-0.2 0.781 135.9 33.7 -98.9 -38.2 18.5 -11.4 17.3 700 720 A G H < S+ 0 0 4 -4,-3.0 -3,-0.2 -5,-0.5 -4,-0.1 0.219 87.6 95.5-105.9 9.6 16.1 -9.1 19.2 701 721 A G S < S+ 0 0 0 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.2 0.657 81.6 64.3 -73.0 -21.0 13.4 -9.0 16.6 702 722 A L S >> S- 0 0 0 -3,-0.3 4,-1.6 -5,-0.2 3,-1.1 -0.963 80.7-157.2 -99.5 116.4 12.0 -11.8 18.8 703 723 A I T 34 S+ 0 0 1 -2,-0.6 35,-0.2 1,-0.3 -1,-0.1 0.736 88.6 64.0 -63.7 -23.0 11.3 -10.1 22.1 704 724 A L T 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.852 104.8 43.9 -70.8 -38.6 11.4 -13.3 23.9 705 725 A N T <4 S+ 0 0 11 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 130.2 22.4 -74.3 -41.8 15.1 -13.8 23.1 706 726 A R S < S- 0 0 23 -4,-1.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.569 79.3-176.1-130.2 72.0 16.2 -10.2 23.9 707 727 A P - 0 0 1 0, 0.0 -217,-0.3 0, 0.0 3,-0.1 -0.275 17.9-147.6 -64.7 153.3 13.6 -8.7 26.2 708 728 A T + 0 0 2 1,-0.3 -151,-1.1 -152,-0.1 2,-0.3 0.663 69.3 8.4-101.4 -15.6 14.2 -5.1 27.1 709 729 A L - 0 0 10 -153,-0.2 29,-0.4 -152,-0.1 2,-0.4 -0.996 59.4-133.5-159.4 158.8 13.0 -4.9 30.5 710 730 A S + 0 0 2 -2,-0.3 -284,-1.9 27,-0.2 27,-0.2 -0.908 15.7 178.6-114.9 145.2 11.7 -6.9 33.4 711 731 A R B +u 426 0K 54 25,-2.6 2,-0.3 -2,-0.4 -284,-0.1 0.156 62.0 48.9-127.5 9.9 8.5 -6.0 35.4 712 732 A R S S- 0 0 42 -286,-0.6 -1,-0.2 24,-0.3 -286,-0.1 -0.936 76.2-118.4-152.4 142.5 8.0 -8.7 38.0 713 733 A F - 0 0 82 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.292 52.1 -73.2 -79.0 163.2 10.4 -10.3 40.6 714 734 A M - 0 0 16 1,-0.1 -1,-0.1 -2,-0.1 8,-0.1 -0.415 55.7-106.8 -56.4 130.2 11.2 -14.0 40.6 715 735 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.389 44.3-134.2 -60.0 139.5 8.2 -16.2 41.8 716 736 A E - 0 0 119 -3,-0.1 6,-0.4 -2,-0.1 5,-0.1 -0.680 25.2 -73.5-106.2 142.3 8.9 -17.6 45.2 717 737 A K S S- 0 0 181 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.320 114.7 -4.1 39.1 -82.6 8.7 -20.8 47.0 718 738 A G S S+ 0 0 58 5,-0.0 -1,-0.2 4,-0.0 5,-0.1 0.705 96.7 120.0-120.8 -35.9 5.1 -21.3 47.7 719 739 A S S > S- 0 0 42 1,-0.1 4,-0.9 3,-0.1 3,-0.3 0.482 74.6-100.8 -24.4 167.2 3.2 -18.2 46.4 720 740 A A H > S+ 0 0 74 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.767 118.3 58.4 -72.0 -27.8 0.5 -18.0 43.7 721 741 A E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.840 103.5 51.7 -80.3 -18.8 2.8 -16.8 41.0 722 742 A Y H > S+ 0 0 33 -6,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.806 112.3 47.7 -78.0 -30.1 5.0 -19.9 41.4 723 743 A E H X S+ 0 0 69 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.897 110.4 49.1 -76.4 -47.1 1.9 -21.9 41.0 724 744 A E H X S+ 0 0 57 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.938 111.7 52.6 -51.0 -42.4 0.9 -19.8 38.0 725 745 A L H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.941 107.1 50.7 -55.4 -50.1 4.5 -20.5 36.8 726 746 A R H < S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.914 119.5 38.1 -53.5 -46.4 4.0 -24.2 37.3 727 747 A K H < S+ 0 0 156 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 135.7 6.4 -74.1 -44.5 0.6 -23.9 35.2 728 748 A N X + 0 0 76 -4,-2.7 4,-2.0 -5,-0.1 3,-0.5 -0.631 66.4 169.0-149.9 65.8 1.2 -21.5 32.2 729 749 A P H > S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.810 76.0 63.1 -57.0 -30.7 5.0 -20.6 32.4 730 750 A Q H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -447,-0.1 0.913 107.1 44.4 -61.5 -43.9 4.8 -18.9 28.9 731 751 A K H > S+ 0 0 32 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.837 110.6 52.2 -67.8 -38.4 2.4 -16.4 30.5 732 752 A A H X S+ 0 0 0 -4,-2.0 4,-1.2 -8,-0.2 3,-0.3 0.929 111.4 49.9 -64.7 -32.4 4.6 -16.0 33.6 733 753 A Y H >X S+ 0 0 8 -4,-2.8 4,-1.5 1,-0.2 3,-0.7 0.971 110.3 48.8 -66.6 -42.9 7.5 -15.3 31.1 734 754 A L H 3< S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 106.0 56.9 -67.4 -28.4 5.5 -12.8 29.3 735 755 A K H 3< S+ 0 0 74 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.743 107.9 50.6 -75.5 -25.6 4.4 -11.0 32.5 736 756 A T H << S+ 0 0 2 -4,-1.2 -25,-2.6 -3,-0.7 -24,-0.3 0.826 106.5 57.5 -81.5 -36.1 7.9 -10.5 33.3 737 757 A I S < S- 0 0 2 -4,-1.5 -27,-0.2 -27,-0.2 -33,-0.1 -0.173 103.0 -44.7 -92.6-173.9 9.2 -9.1 30.1 738 758 A T - 0 0 2 -29,-0.4 -1,-0.2 -35,-0.2 -2,-0.1 -0.151 65.5-118.0 -49.1 127.6 8.5 -6.0 27.8 739 759 A P > - 0 0 14 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.267 26.7-101.0 -66.1 169.5 4.8 -5.5 27.3 740 760 A K H > S+ 0 0 8 -461,-0.4 4,-2.6 1,-0.2 5,-0.2 0.938 117.1 54.9 -62.2 -39.3 3.2 -5.7 24.0 741 761 A F H > S+ 0 0 18 -462,-0.6 4,-1.1 1,-0.3 -1,-0.2 0.952 114.1 37.3 -58.9 -54.9 2.9 -2.1 23.4 742 762 A Q H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.830 110.0 63.3 -66.0 -29.9 6.5 -1.3 24.0 743 763 A T H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.959 103.1 52.3 -60.6 -41.1 7.5 -4.5 22.2 744 764 A L H X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.785 110.2 44.6 -63.0 -37.4 5.9 -2.9 19.2 745 765 A I H X S+ 0 0 7 -4,-1.1 4,-2.1 -3,-0.2 -1,-0.3 0.816 113.0 51.7 -71.5 -42.1 7.7 0.3 19.3 746 766 A D H X S+ 0 0 4 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.947 110.7 48.3 -59.2 -48.0 11.1 -1.5 20.0 747 767 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.864 110.1 52.0 -61.8 -41.5 10.6 -3.8 17.0 748 768 A S H X S+ 0 0 0 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.893 115.0 41.8 -61.6 -42.6 9.7 -0.9 14.8 749 769 A V H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.942 115.4 47.1 -73.6 -43.9 12.8 1.0 15.8 750 770 A I H X S+ 0 0 7 -4,-3.2 4,-1.6 1,-0.2 -53,-0.5 0.799 107.5 60.1 -72.3 -26.3 15.3 -2.0 15.8 751 771 A E H < S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.921 109.4 40.0 -63.0 -49.8 13.9 -3.0 12.4 752 772 A I H >< S+ 0 0 5 -4,-1.3 3,-1.2 1,-0.2 -2,-0.2 0.854 114.1 54.8 -62.2 -49.3 14.9 0.4 10.8 753 773 A L H 3< S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.843 104.0 55.8 -51.3 -41.8 18.3 0.4 12.7 754 774 A S T 3< S+ 0 0 1 -4,-1.6 73,-0.6 -5,-0.1 2,-0.4 0.395 94.8 92.2 -76.8 4.2 19.2 -3.1 11.3 755 775 A R E < -W 826 0M 39 -3,-1.2 2,-0.6 71,-0.2 71,-0.2 -0.774 66.3-140.0-102.5 142.2 18.8 -2.0 7.7 756 776 A H E -W 825 0M 2 69,-2.5 69,-1.9 -2,-0.4 -2,-0.1 -0.780 22.3-125.6 -99.3 133.6 21.2 -0.7 5.3 757 777 A A > - 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