==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-DEC-04 1Y4K . COMPND 2 MOLECULE: SEED LIPOXYGENASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR M.CHRUSZCZ,E.SEGRAVES,T.R.HOLMAN,W.MINOR . 817 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 65.6 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 . 95 11.6 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 . 44 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.8 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 3 4 2 3 2 1 3 1 3 0 2 1 0 0 0 0 0 0 0 0 2 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 5 3 1 1 0 3 2 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 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 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 6 A H 0 0 94 0, 0.0 70,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -80.4 74.9 33.5 4.9 2 7 A K E -A 70 0A 70 68,-0.2 2,-0.6 66,-0.0 68,-0.2 -0.907 360.0-144.6-115.3 143.3 72.0 35.7 3.6 3 8 A I E -A 69 0A 30 66,-2.5 66,-2.2 -2,-0.4 2,-0.4 -0.938 16.9-138.0-105.7 121.3 68.3 35.0 3.6 4 9 A K E +A 68 0A 38 -2,-0.6 95,-2.3 95,-0.4 2,-0.3 -0.681 30.8 179.2 -76.9 128.6 66.4 36.3 0.6 5 10 A G E -AB 67 98A 3 62,-2.9 62,-1.5 -2,-0.4 2,-0.5 -0.979 22.2-149.3-133.9 142.8 63.1 37.8 1.8 6 11 A T E -AB 66 97A 10 91,-2.1 91,-2.1 -2,-0.3 2,-0.5 -0.982 10.1-160.7-111.7 121.1 60.2 39.6 -0.0 7 12 A V E -AB 65 96A 2 58,-2.7 58,-2.6 -2,-0.5 2,-0.5 -0.890 3.9-163.4 -93.6 123.7 58.2 42.2 1.9 8 13 A V E +AB 64 95A 15 87,-1.7 86,-2.4 -2,-0.5 87,-1.9 -0.949 22.7 156.5-106.3 128.7 54.7 43.0 0.4 9 14 A L E -AB 63 93A 0 54,-2.4 54,-2.3 -2,-0.5 84,-0.2 -0.871 35.9-128.5-139.9 172.9 53.2 46.3 1.6 10 15 A M E - B 0 92A 40 82,-2.6 82,-3.1 -2,-0.3 52,-0.1 -0.981 20.1-135.8-130.7 116.3 50.6 48.9 0.7 11 16 A P E - B 0 91A 33 0, 0.0 80,-0.2 0, 0.0 79,-0.1 -0.394 33.1-107.3 -64.5 148.6 51.4 52.7 0.6 12 17 A K 0 0 113 78,-0.6 79,-0.1 1,-0.3 78,-0.0 0.815 360.0 360.0 -52.0 -40.6 48.6 54.8 2.2 13 18 A N 0 0 187 48,-0.0 -1,-0.3 0, 0.0 48,-0.0 0.100 360.0 360.0 -80.0 360.0 47.2 56.3 -1.0 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 0 122 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 161.5 56.6 56.0 -5.9 16 32 A L G >> + 0 0 25 1,-0.2 3,-2.4 2,-0.1 4,-0.6 0.748 360.0 83.6 -69.5 -23.8 58.1 53.0 -4.1 17 33 A N G >4 S+ 0 0 114 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.732 78.1 64.3 -59.8 -26.5 61.6 54.5 -4.1 18 34 A A G <4 S+ 0 0 60 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.764 96.4 61.4 -67.4 -21.8 60.9 56.5 -0.9 19 35 A F G <4>S+ 0 0 15 -3,-2.4 5,-0.6 -4,-0.2 29,-0.4 0.750 96.3 71.7 -72.8 -23.7 60.5 53.1 0.8 20 36 A L T X<5S+ 0 0 32 -3,-0.7 3,-1.2 -4,-0.6 29,-0.1 0.145 79.7 47.6 -75.3-164.2 64.2 52.3 -0.1 21 37 A G T 3 5S- 0 0 55 27,-0.3 3,-0.2 1,-0.2 27,-0.1 -0.423 128.2 -33.1 69.7-139.5 67.2 53.9 1.6 22 38 A R T 3 5S+ 0 0 187 1,-0.1 -1,-0.2 -2,-0.1 3,-0.2 -0.104 107.5 108.1-107.3 35.7 66.9 54.0 5.5 23 39 A S T < 5S+ 0 0 26 -3,-1.2 63,-3.8 -4,-0.2 64,-0.5 0.898 81.1 24.6 -77.6 -44.2 63.1 54.4 5.5 24 40 A V E < -E 85 0B 2 -5,-0.6 24,-1.1 -3,-0.2 2,-0.4 -0.975 65.2-172.2-132.8 118.7 62.1 50.9 6.8 25 41 A S E -E 84 0B 0 59,-2.0 59,-2.8 -2,-0.4 2,-0.3 -0.924 2.8-167.9-112.5 139.7 64.0 48.4 8.8 26 42 A L E -E 83 0B 2 -2,-0.4 2,-0.4 57,-0.2 57,-0.2 -0.924 2.0-166.3-115.1 145.3 63.2 44.8 9.8 27 43 A Q E -E 82 0B 34 55,-2.1 55,-2.7 -2,-0.3 18,-0.1 -0.983 18.7-135.6-129.4 117.0 65.1 42.6 12.4 28 44 A L E -E 81 0B 0 -2,-0.4 15,-2.7 16,-0.3 2,-0.4 -0.388 14.5-147.9 -70.8 151.4 64.5 38.8 12.5 29 45 A I E -EF 80 42B 0 51,-2.7 50,-2.8 13,-0.2 51,-1.4 -0.971 17.6-118.4-123.4 136.6 63.9 37.1 15.8 30 46 A S E -E 78 0B 0 11,-2.1 10,-0.1 -2,-0.4 46,-0.1 -0.542 14.9-165.7 -79.2 136.0 65.0 33.6 16.5 31 47 A A E S+ 0 0 13 46,-4.2 108,-0.3 -2,-0.3 -1,-0.1 0.598 92.6 27.9 -83.8 -14.0 62.5 30.8 17.4 32 48 A T E S+ 0 0 76 45,-0.5 2,-0.5 43,-0.4 44,-0.2 0.696 106.3 63.7-126.8 -33.0 65.4 28.6 18.6 33 49 A K E - 0 0 54 42,-0.7 8,-2.2 44,-0.2 2,-0.2 -0.891 64.8-174.8-103.2 130.0 68.5 30.4 19.8 34 50 A A E - F 0 40B 37 -2,-0.5 6,-0.2 6,-0.3 2,-0.1 -0.707 21.2-119.2-117.3 168.6 68.0 32.6 22.9 35 51 A D > - 0 0 65 4,-1.7 3,-2.5 -2,-0.2 -1,-0.1 -0.344 52.7 -78.5 -94.0-179.0 69.9 35.0 25.1 36 52 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.358 132.4 53.9 -69.3 6.0 70.8 34.6 28.8 37 53 A H T 3 S- 0 0 169 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.437 120.0-108.1-113.2 -5.1 67.2 35.7 29.7 38 54 A G S < S+ 0 0 36 -3,-2.5 2,-0.4 1,-0.3 102,-0.2 0.360 75.1 133.7 99.6 0.1 65.7 33.0 27.4 39 55 A K - 0 0 59 1,-0.1 -4,-1.7 100,-0.1 -1,-0.3 -0.693 65.4 -95.6 -92.6 134.8 64.4 35.4 24.7 40 56 A G E -F 34 0B 0 98,-3.0 -6,-0.3 -2,-0.4 2,-0.2 0.019 46.2-107.4 -45.8 141.0 65.0 34.8 21.0 41 57 A K E - 0 0 68 -8,-2.2 -11,-2.1 34,-0.2 2,-0.5 -0.537 30.0-137.2 -80.6 143.9 68.0 36.5 19.6 42 58 A V E -F 29 0B 54 -13,-0.2 -13,-0.2 -2,-0.2 -14,-0.1 -0.840 10.8-141.9-106.5 129.5 67.5 39.5 17.4 43 59 A G - 0 0 16 -15,-2.7 2,-0.2 -2,-0.5 -1,-0.1 0.175 36.7 -72.9 -68.3-164.9 69.3 40.2 14.2 44 60 A K 0 0 82 26,-0.3 -16,-0.3 1,-0.1 -1,-0.2 -0.625 360.0 360.0 -97.6 153.9 70.5 43.5 12.9 45 61 A D 0 0 82 -2,-0.2 -18,-0.2 -18,-0.1 -1,-0.1 -0.310 360.0 360.0 -52.5 360.0 68.5 46.3 11.4 46 ! 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 47 63 A F 0 0 44 0, 0.0 21,-0.3 0, 0.0 -22,-0.2 0.000 360.0 360.0 360.0 157.4 66.6 48.0 5.3 48 64 A L - 0 0 6 -24,-1.1 -27,-0.3 -29,-0.4 19,-0.2 -0.456 360.0-167.8 -64.9 135.4 64.6 47.6 2.1 49 65 A E - 0 0 99 17,-2.4 2,-0.3 1,-0.3 18,-0.2 0.818 53.2 -34.1 -98.3 -40.9 66.9 47.0 -0.9 50 66 A G E -C 66 0A 15 16,-1.0 16,-3.1 -30,-0.1 2,-0.6 -0.989 61.2 -78.5-173.5 171.9 64.7 47.4 -3.9 51 67 A I E -C 65 0A 52 -2,-0.3 2,-0.6 14,-0.2 14,-0.3 -0.707 40.2-143.1 -83.9 115.4 61.4 47.1 -5.7 52 68 A N E +C 64 0A 24 12,-1.8 12,-0.6 -2,-0.6 -1,-0.0 -0.689 25.9 170.5 -79.4 118.5 60.7 43.5 -6.9 53 69 A T + 0 0 139 -2,-0.6 -1,-0.1 10,-0.1 12,-0.0 0.345 62.4 82.9-104.0 2.7 58.9 43.5 -10.3 54 70 A S + 0 0 83 10,-0.0 -1,-0.0 2,-0.0 -2,-0.0 0.990 64.8 85.7 -66.8 -77.2 59.3 39.7 -10.7 55 71 A L - 0 0 58 1,-0.1 9,-0.1 2,-0.1 3,-0.0 0.136 51.4-174.7 -28.1 118.7 56.3 38.3 -8.6 56 72 A P + 0 0 121 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 0.816 69.6 79.6 -91.0 -38.7 53.2 38.2 -10.8 57 73 A T + 0 0 137 2,-0.0 2,-0.3 1,-0.0 -2,-0.1 -0.624 66.0 138.8 -63.6 89.0 50.8 37.1 -8.1 58 74 A L - 0 0 66 -2,-1.6 3,-0.1 6,-0.0 4,-0.0 -0.880 44.4-139.2-146.8 111.2 50.5 40.6 -6.7 59 75 A G > - 0 0 39 -2,-0.3 3,-1.4 1,-0.2 2,-0.1 -0.019 40.7 -68.4 -69.2 173.1 47.1 42.0 -5.6 60 76 A A T 3 S+ 0 0 70 1,-0.3 -1,-0.2 -50,-0.0 3,-0.1 -0.358 117.4 9.4 -75.8 136.3 45.9 45.6 -6.2 61 77 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.307 102.5 123.6 80.1 -8.3 47.7 48.4 -4.4 62 78 A E < - 0 0 58 -3,-1.4 2,-0.3 -52,-0.1 -1,-0.3 -0.594 39.3-173.0 -91.4 147.7 50.4 46.0 -3.3 63 79 A S E -A 9 0A 45 -54,-2.3 -54,-2.4 -2,-0.2 2,-0.3 -0.999 14.2-138.8-141.3 141.7 54.1 46.3 -3.9 64 80 A A E -AC 8 52A 3 -12,-0.6 -12,-1.8 -2,-0.3 2,-0.4 -0.758 13.6-162.7-106.5 141.0 56.9 43.9 -3.2 65 81 A F E -AC 7 51A 0 -58,-2.6 -58,-2.7 -2,-0.3 -14,-0.2 -0.985 14.5-130.7-127.8 137.2 60.4 44.7 -1.9 66 82 A N E +AC 6 50A 53 -16,-3.1 -17,-2.4 -2,-0.4 -16,-1.0 -0.521 31.6 166.4 -79.4 149.4 63.6 42.8 -1.9 67 83 A I E -A 5 0A 3 -62,-1.5 -62,-2.9 -19,-0.2 2,-0.4 -0.966 21.4-152.7-164.5 147.4 65.6 42.4 1.3 68 84 A H E -A 4 0A 95 -21,-0.3 2,-0.5 -2,-0.3 -64,-0.2 -0.982 9.8-155.0-133.3 119.3 68.5 40.2 2.5 69 85 A F E -A 3 0A 15 -66,-2.2 -66,-2.5 -2,-0.4 2,-0.7 -0.837 17.9-132.0 -99.4 129.3 69.1 39.2 6.1 70 86 A E E +A 2 0A 74 -2,-0.5 2,-0.4 -68,-0.2 -26,-0.3 -0.676 41.7 168.4 -67.3 113.4 72.5 38.3 7.5 71 87 A W + 0 0 20 -70,-2.4 2,-0.1 -2,-0.7 -2,-0.0 -0.966 7.0 176.7-145.0 120.3 71.5 35.1 9.3 72 88 A D >> - 0 0 81 -2,-0.4 3,-1.3 1,-0.0 4,-0.7 -0.348 45.8 -83.1-124.9-177.6 74.1 32.8 10.6 73 89 A G G >4 S+ 0 0 74 1,-0.2 3,-0.8 2,-0.2 -1,-0.0 0.922 121.2 58.2 -59.3 -44.1 74.8 29.6 12.6 74 90 A S G 34 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.503 102.1 58.8 -62.1 -7.3 74.5 31.4 16.0 75 91 A M G <4 S- 0 0 42 -3,-1.3 -42,-0.7 1,-0.2 -43,-0.4 0.690 79.6-165.5-108.1 -26.4 70.9 32.5 15.2 76 92 A G << - 0 0 26 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.0 -0.504 49.8 -13.9 81.7-138.6 68.9 29.4 14.5 77 93 A I - 0 0 76 -2,-0.2 -46,-4.2 -6,-0.0 -45,-0.5 -0.898 67.3-118.0-112.2 129.2 65.4 29.6 12.9 78 94 A P E +E 30 0B 11 0, 0.0 -48,-0.3 0, 0.0 3,-0.1 -0.474 38.2 164.5 -69.5 125.7 63.5 32.9 12.4 79 95 A G E - 0 0 5 -50,-2.8 47,-2.0 -2,-0.3 2,-0.3 0.492 63.0 -0.3-112.7 -10.1 60.2 32.8 14.3 80 96 A A E -EG 29 125B 0 -51,-1.4 -51,-2.7 45,-0.3 2,-0.3 -0.933 62.5-139.1-161.2 175.4 59.2 36.5 14.4 81 97 A F E -EG 28 124B 0 43,-2.8 43,-3.0 -2,-0.3 2,-0.3 -0.986 7.3-139.4-154.7 150.0 60.3 40.0 13.3 82 98 A Y E -EG 27 123B 53 -55,-2.7 -55,-2.1 -2,-0.3 2,-0.4 -0.736 21.7-166.7 -95.2 144.0 60.5 43.5 14.4 83 99 A I E -EG 26 122B 3 39,-1.7 39,-0.6 -2,-0.3 2,-0.4 -0.992 6.3-167.9-136.6 136.1 59.8 46.3 12.0 84 100 A K E -E 25 0B 30 -59,-2.8 -59,-2.0 -2,-0.4 2,-0.6 -0.981 9.2-154.2-121.9 129.3 60.5 50.1 12.3 85 101 A N E +Eh 24 114B 0 28,-0.5 30,-3.3 -2,-0.4 31,-0.3 -0.941 12.7 179.2-107.0 112.6 59.0 52.6 9.9 86 102 A Y + 0 0 91 -63,-3.8 -62,-0.2 -2,-0.6 -1,-0.1 0.481 52.9 98.3 -92.8 -8.1 61.2 55.7 9.7 87 103 A M S S- 0 0 35 -64,-0.5 28,-0.2 2,-0.2 -2,-0.1 -0.279 79.6-125.4 -74.1 162.4 58.9 57.5 7.2 88 104 A Q S S+ 0 0 160 26,-0.1 26,-0.4 2,-0.1 2,-0.3 0.897 91.3 65.3 -77.5 -40.1 56.4 60.1 8.4 89 105 A V S S- 0 0 79 24,-0.1 -2,-0.2 1,-0.1 2,-0.1 -0.624 84.2-120.0 -92.4 142.7 53.5 58.3 6.7 90 106 A E - 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0 0 13 -2,-0.4 302,-0.1 -3,-0.1 303,-0.1 -0.805 35.3-125.2 -88.9 109.9 35.1 57.1 17.6 220 239 A Y + 0 0 16 -2,-0.8 -62,-0.1 -62,-0.1 -60,-0.1 -0.271 32.0 176.1 -60.1 138.7 38.3 55.1 18.0 221 240 A V - 0 0 11 -61,-0.1 5,-0.2 -59,-0.1 -59,-0.1 -0.944 52.1 -80.1-124.1 152.8 38.8 51.5 17.3 222 241 A P >> - 0 0 3 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.258 56.9-108.2 -45.7 139.7 42.1 49.6 17.5 223 242 A R G >4 S+ 0 0 25 -61,-2.7 3,-1.5 1,-0.3 -60,-0.1 0.801 114.1 50.9 -56.1 -41.0 43.8 50.5 14.3 224 243 A D G 34 S+ 0 0 36 1,-0.3 -1,-0.3 -113,-0.1 -61,-0.1 0.576 101.9 64.7 -80.2 -2.8 43.7 47.3 12.4 225 244 A E G <4 S+ 0 0 14 -3,-2.3 2,-1.2 1,-0.1 293,-0.4 0.594 83.0 83.6 -79.6 -20.6 39.9 47.1 13.1 226 245 A N S << S- 0 0 60 -3,-1.5 2,-0.2 -4,-0.5 -1,-0.1 -0.766 80.6-150.8 -90.0 93.8 39.4 50.2 11.0 227 246 A L - 0 0 34 -2,-1.2 2,-0.2 1,-0.1 -2,-0.1 -0.423 7.6-151.6 -75.9 130.9 39.3 48.7 7.6 228 247 A G - 0 0 56 -2,-0.2 2,-0.4 7,-0.0 3,-0.1 -0.575 9.0-150.7 -86.0 161.6 40.4 50.5 4.5 229 248 A H - 0 0 36 -2,-0.2 6,-0.1 1,-0.1 3,-0.0 -0.992 16.0-142.8-132.8 139.6 38.9 49.7 1.2 230 249 A L S S+ 0 0 119 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.838 95.9 52.0 -66.3 -33.5 40.6 50.0 -2.2 231 250 A K S > S- 0 0 71 1,-0.1 3,-2.1 -3,-0.1 4,-0.2 -0.944 75.7-147.8-113.4 125.2 37.3 51.1 -3.6 232 251 A S G > S+ 0 0 78 -2,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.786 97.9 67.1 -62.1 -29.6 35.4 54.0 -2.0 233 252 A K G 3 S+ 0 0 51 1,-0.3 -1,-0.3 59,-0.1 3,-0.1 0.782 94.9 59.0 -59.8 -25.6 32.1 52.4 -3.0 234 253 A D G < S+ 0 0 2 -3,-2.1 2,-1.6 1,-0.2 3,-0.3 0.499 76.7 94.3 -81.8 -4.6 33.0 49.6 -0.6 235 254 A A X> + 0 0 16 -3,-2.0 3,-1.1 1,-0.2 4,-0.9 -0.200 45.2 148.2 -84.6 48.7 33.2 52.0 2.5 236 255 A L H >> + 0 0 12 -2,-1.6 3,-0.7 1,-0.3 4,-0.6 0.821 61.4 60.2 -55.8 -36.6 29.6 51.2 3.3 237 256 A E H >> S+ 0 0 3 -3,-0.3 3,-0.6 1,-0.3 4,-0.6 0.836 101.0 52.7 -65.7 -33.5 30.1 51.7 7.1 238 257 A I H <> S+ 0 0 80 -3,-1.1 4,-1.9 1,-0.2 3,-0.4 0.737 94.8 73.1 -74.6 -20.1 31.2 55.3 6.7 239 258 A G H S+ 0 0 19 -4,-1.9 4,-2.9 2,-0.2 5,-2.6 0.845 107.6 57.5 -64.7 -37.1 27.5 60.7 6.1 243 262 A L H <>S+ 0 0 2 -4,-2.4 5,-3.2 3,-0.2 -2,-0.2 0.951 112.9 39.0 -54.7 -51.9 23.9 59.9 6.3 244 263 A S H <5S+ 0 0 29 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.950 126.9 34.2 -61.4 -49.7 23.7 61.4 9.8 245 264 A Q H <5S+ 0 0 84 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.2 0.722 136.5 6.0 -85.0 -28.8 26.0 64.3 9.2 246 265 A I T X5S+ 0 0 62 -4,-2.9 4,-1.4 -5,-0.2 -3,-0.2 0.688 124.9 43.4-122.6 -54.8 25.4 65.3 5.5 247 266 A V H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.843 109.9 53.4 -58.6 -31.4 20.2 67.3 7.0 250 269 A A H X S+ 0 0 8 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.941 111.0 45.7 -68.8 -45.0 20.0 67.7 3.2 251 270 A F H >X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 3,-0.6 0.938 110.6 54.5 -60.1 -47.3 16.7 65.7 3.1 252 271 A E H >X S+ 0 0 67 -4,-3.0 4,-3.1 1,-0.2 3,-0.6 0.863 102.4 58.2 -53.2 -36.4 15.3 67.6 6.1 253 272 A S H 3X S+ 0 0 32 -4,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.859 99.2 56.8 -70.8 -32.4 16.0 70.9 4.2 254 273 A A H <<>S+ 0 0 0 -4,-1.2 5,-2.6 -3,-0.6 6,-0.7 0.814 113.8 40.9 -64.7 -29.9 13.8 69.9 1.4 255 274 A F H X<5S+ 0 0 10 -4,-1.0 3,-1.7 -3,-0.6 -2,-0.2 0.884 111.7 53.7 -85.1 -41.9 10.9 69.5 3.9 256 275 A D H 3<5S+ 0 0 122 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.850 113.1 45.9 -59.5 -33.5 11.8 72.6 6.0 257 276 A L T 3<5S- 0 0 124 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.247 110.8-123.4 -94.8 10.2 11.6 74.6 2.7 258 277 A K T < 5 + 0 0 181 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.842 66.6 138.4 52.3 43.4 8.4 73.0 1.6 259 278 A S < + 0 0 65 -5,-2.6 -4,-0.2 -6,-0.2 -1,-0.1 0.573 69.5 29.5 -94.0 -11.2 10.0 71.8 -1.7 260 279 A T S S- 0 0 14 -6,-0.7 -1,-0.1 -5,-0.1 -2,-0.1 -0.948 103.4 -86.2-143.5 147.4 8.3 68.4 -1.6 261 280 A P - 0 0 77 0, 0.0 -2,-0.1 0, 0.0 4,-0.0 -0.337 34.1-135.0 -58.8 143.9 5.0 67.4 -0.0 262 281 A I S S+ 0 0 82 -7,-0.1 461,-0.5 460,-0.1 460,-0.4 0.774 82.4 39.4 -76.8 -29.8 5.4 66.5 3.6 263 282 A E S S- 0 0 35 459,-0.1 2,-0.3 458,-0.1 458,-0.1 -0.916 81.6-115.6-119.7 151.1 3.3 63.4 3.5 264 283 A F - 0 0 5 -2,-0.3 3,-0.1 452,-0.2 458,-0.1 -0.619 27.8-169.8 -70.1 137.7 2.7 60.5 1.2 265 284 A H + 0 0 94 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.618 64.7 13.0-109.6 -12.9 -0.9 60.8 0.1 266 285 A S S >> S- 0 0 32 446,-0.1 3,-0.8 447,-0.1 4,-0.7 -0.960 78.7-105.6-152.6 162.9 -1.3 57.5 -1.7 267 286 A F H >> S+ 0 0 10 -2,-0.3 4,-2.3 1,-0.2 3,-0.8 0.868 118.6 63.0 -64.7 -30.3 0.6 54.2 -2.0 268 287 A Q H 3> S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 93.2 63.0 -63.1 -28.8 1.6 55.2 -5.5 269 288 A D H <4 S+ 0 0 54 -3,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.849 107.7 43.7 -62.1 -31.5 3.5 58.1 -3.9 270 289 A V H X< S+ 0 0 5 -3,-0.8 3,-1.6 -4,-0.7 4,-0.3 0.924 111.6 51.1 -77.6 -44.9 5.7 55.5 -2.2 271 290 A H H >< S+ 0 0 5 -4,-2.3 3,-1.4 1,-0.3 4,-0.4 0.824 97.7 70.2 -62.2 -27.2 6.1 53.3 -5.3 272 291 A D G ><>S+ 0 0 60 -4,-1.9 5,-2.8 1,-0.3 3,-1.1 0.788 81.7 75.4 -61.8 -28.6 7.2 56.4 -7.2 273 292 A L G < 5S+ 0 0 8 -3,-1.6 35,-2.5 -4,-0.4 -1,-0.3 0.818 107.5 28.9 -56.4 -30.9 10.4 56.3 -5.1 274 293 A Y G < 5S+ 0 0 23 -3,-1.4 -1,-0.3 -4,-0.3 36,-0.2 0.296 124.9 48.5-112.7 8.1 11.8 53.4 -7.1 275 294 A E T < 5S- 0 0 78 -3,-1.1 -3,-0.1 -4,-0.4 -2,-0.1 0.625 133.6 -8.2-107.0 -95.5 10.0 54.2 -10.4 276 295 A G T 5S- 0 0 46 1,-0.2 2,-0.2 31,-0.0 -3,-0.1 0.727 101.7-138.6 -80.6 -23.7 10.3 57.8 -11.6 277 296 A G < - 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0 0 4 -2,-0.5 3,-2.6 1,-0.1 6,-0.3 -0.336 24.4-111.4 -74.0 152.7 47.9 35.5 20.8 501 520 A V T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -358,-0.1 -5,-0.0 0.709 121.9 60.4 -53.0 -21.7 47.8 35.8 17.0 502 521 A L T 3 S+ 0 0 4 -373,-0.1 -372,-2.5 4,-0.1 -1,-0.3 0.594 82.5 107.2 -77.9 -14.2 49.6 32.4 17.2 503 522 A H S <> S- 0 0 0 -3,-2.6 4,-2.2 -374,-0.2 5,-0.2 -0.383 70.9-135.4 -78.5 137.1 46.8 30.7 19.0 504 523 A P H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.809 106.6 49.1 -59.7 -29.2 44.6 28.2 17.1 505 524 A I H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.793 107.3 55.6 -89.1 -30.6 41.3 29.7 18.5 506 525 A Y H > S+ 0 0 38 -6,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.930 111.6 43.6 -51.3 -54.7 42.4 33.2 17.5 507 526 A K H < S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.815 114.4 51.6 -64.5 -33.3 42.9 32.0 14.0 508 527 A L H < S+ 0 0 0 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.918 121.5 28.4 -65.3 -47.3 39.6 30.1 14.2 509 528 A L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.1 -2,-0.2 0.798 99.3 77.0 -90.1 -32.3 37.5 33.0 15.4 510 529 A T G >< S+ 0 0 31 -4,-2.6 3,-1.7 1,-0.3 4,-0.3 0.759 86.1 61.8 -67.7 -27.7 39.1 36.3 14.2 511 530 A P G > S+ 0 0 26 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.811 99.1 60.9 -60.9 -23.7 37.9 36.1 10.6 512 531 A H G < S+ 0 0 4 -3,-1.9 306,-0.6 1,-0.2 -2,-0.2 0.359 100.2 55.4 -84.8 5.7 34.4 36.2 12.1 513 532 A Y G X S+ 0 0 2 -3,-1.7 3,-1.9 304,-0.2 4,-0.5 0.487 70.5 139.9-111.4 -2.3 35.1 39.6 13.6 514 533 A R T < S- 0 0 45 -3,-0.9 303,-0.1 -4,-0.3 -289,-0.1 -0.181 82.8 -7.9 -52.6 126.6 36.1 41.6 10.5 515 534 A N T 3> S+ 0 0 1 -290,-0.2 4,-2.5 1,-0.1 5,-0.3 0.320 99.5 117.3 70.9 -0.8 34.7 45.2 10.6 516 535 A N H <> S+ 0 0 0 -3,-1.9 4,-2.2 1,-0.2 5,-0.2 0.945 76.9 41.8 -67.7 -49.8 32.5 44.5 13.7 517 536 A M H > S+ 0 0 2 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.890 115.1 53.4 -62.0 -36.7 34.2 47.0 16.0 518 537 A N H > S+ 0 0 11 -293,-0.4 4,-2.4 2,-0.2 5,-0.2 0.946 111.7 42.0 -64.3 -54.1 34.4 49.6 13.3 519 538 A I H X S+ 0 0 8 -4,-2.5 4,-2.4 299,-0.2 -1,-0.2 0.901 114.2 53.6 -62.1 -39.6 30.7 49.4 12.3 520 539 A N H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.916 109.8 47.2 -63.0 -39.5 29.7 49.4 16.0 521 540 A A H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.935 112.4 48.0 -70.9 -39.8 31.7 52.5 16.8 522 541 A L H X S+ 0 0 20 -4,-2.4 4,-1.7 1,-0.2 5,-0.4 0.869 111.6 53.8 -64.3 -37.6 30.3 54.3 13.8 523 542 A A H X>S+ 0 0 2 -4,-2.4 5,-3.0 -5,-0.2 4,-2.0 0.898 104.0 52.3 -59.4 -46.3 26.9 53.1 15.1 524 543 A R H <5S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 115.4 45.0 -59.4 -30.3 27.5 54.5 18.6 525 544 A Q H <5S+ 0 0 14 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.837 135.9 1.1 -81.6 -36.7 28.3 57.8 16.9 526 545 A S H <5S+ 0 0 0 -4,-1.7 7,-1.7 -5,-0.1 -3,-0.2 0.550 127.1 46.3-132.4 -19.2 25.5 58.1 14.3 527 546 A L T <5S+ 0 0 18 -4,-2.0 7,-2.0 -5,-0.4 8,-0.5 0.845 123.8 18.6-105.5 -46.6 23.0 55.2 14.4 528 547 A I S S- 0 0 23 -6,-0.5 3,-2.7 1,-0.2 6,-0.4 -0.298 83.3 -71.6 -76.9 164.9 23.1 57.9 19.5 530 549 A A T 3 S+ 0 0 8 -357,-2.7 -1,-0.2 1,-0.3 -348,-0.1 -0.398 125.2 3.1 -58.8 121.3 20.9 60.5 21.0 531 550 A N T 3 S+ 0 0 106 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.681 106.4 141.0 66.1 23.1 18.9 62.0 18.1 532 551 A G <> - 0 0 0 -3,-2.7 4,-1.5 -5,-0.0 -5,-0.2 0.125 69.1 -77.5 -77.7-168.9 20.5 59.6 15.8 533 552 A I H > S+ 0 0 0 -7,-1.7 4,-0.8 2,-0.2 5,-0.2 0.937 127.2 43.6 -64.2 -49.3 19.1 57.6 12.8 534 553 A I H >> S+ 0 0 3 -7,-2.0 4,-2.6 1,-0.2 3,-1.4 0.969 114.1 49.2 -65.1 -49.9 17.3 54.9 14.7 535 554 A E H 34 S+ 0 0 10 -8,-0.5 -1,-0.2 -6,-0.4 -2,-0.2 0.800 115.2 45.7 -59.5 -28.3 15.8 57.3 17.3 536 555 A T H 3< S+ 0 0 47 -4,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.524 122.1 34.8 -97.3 -1.4 14.6 59.6 14.6 537 556 A T H << S+ 0 0 5 -3,-1.4 2,-0.3 -4,-0.8 -2,-0.2 0.595 105.2 70.0-119.5 -20.9 13.1 56.9 12.4 538 557 A F S >< S- 0 0 16 -4,-2.6 3,-1.8 -5,-0.2 153,-0.3 -0.761 83.9-108.2-109.8 152.5 11.8 54.2 14.7 539 558 A L T 3 S+ 0 0 4 151,-2.3 152,-0.1 -2,-0.3 4,-0.1 0.780 107.9 55.5 -42.3 -51.7 8.8 54.2 17.0 540 559 A P T > S- 0 0 0 0, 0.0 3,-2.8 0, 0.0 -1,-0.3 0.547 75.7-177.9 -78.1 -3.4 10.4 54.3 20.4 541 560 A S G X S+ 0 0 41 -3,-1.8 3,-2.3 1,-0.3 4,-0.3 -0.139 73.6 5.6 53.0-135.3 12.4 57.4 19.8 542 561 A K G 3 S+ 0 0 90 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.525 130.6 61.6 -59.9 -6.1 14.6 58.2 22.9 543 562 A Y G <> S+ 0 0 45 -3,-2.8 4,-2.0 1,-0.1 -1,-0.3 0.478 78.7 94.7 -93.1 -5.9 13.5 54.9 24.5 544 563 A S H <> S+ 0 0 0 -3,-2.3 4,-1.3 2,-0.2 -2,-0.1 0.932 85.3 37.4 -59.1 -57.8 15.0 52.6 21.8 545 564 A V H >> S+ 0 0 9 -4,-0.3 4,-1.3 1,-0.2 3,-0.5 0.937 115.2 54.6 -69.4 -42.6 18.4 51.6 23.0 546 565 A E H 3> S+ 0 0 31 -4,-0.3 4,-1.9 1,-0.2 3,-0.4 0.891 102.2 59.0 -56.5 -36.0 17.3 51.3 26.6 547 566 A M H 3X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.879 102.0 54.1 -57.4 -38.2 14.5 48.9 25.4 548 567 A S H < S+ 0 0 32 -4,-1.9 3,-0.6 1,-0.2 4,-0.3 0.912 111.3 48.5 -63.0 -40.9 15.6 45.5 29.0 551 570 A V H >< S+ 0 0 28 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.874 100.8 64.5 -62.9 -36.4 15.6 42.8 26.5 552 571 A Y H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.789 83.7 76.3 -62.3 -24.0 19.2 41.9 27.2 553 572 A K T << S+ 0 0 96 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.837 102.8 40.9 -52.1 -32.9 18.2 40.9 30.8 554 573 A N T < S+ 0 0 129 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.3 0.314 84.6 122.7-104.0 14.3 16.9 37.8 29.1 555 574 A W < - 0 0 8 -3,-2.0 2,-0.4 -4,-0.2 -3,-0.0 -0.570 39.9-169.7 -79.6 131.2 19.7 37.1 26.7 556 575 A V > - 0 0 20 -2,-0.3 3,-0.8 1,-0.1 4,-0.3 -0.988 17.9-148.8-127.2 119.2 21.2 33.6 27.1 557 576 A F G > S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.2 4,-0.3 0.856 98.6 48.5 -48.9 -47.5 24.4 32.7 25.3 558 577 A T G > S+ 0 0 26 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.675 101.7 64.4 -80.9 -14.1 23.6 29.1 24.9 559 578 A D G < S+ 0 0 39 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.469 85.7 74.3 -85.2 1.5 20.2 29.9 23.6 560 579 A Q G < S+ 0 0 25 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.621 71.0 103.8 -82.4 -17.1 21.8 31.6 20.5 561 580 A A S <> S- 0 0 7 -3,-0.7 4,-2.6 -4,-0.3 5,-0.2 -0.457 82.4-125.9 -59.5 135.4 22.6 28.1 19.3 562 581 A L H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 105.8 46.2 -61.1 -46.1 20.1 27.4 16.5 563 582 A P H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.945 113.5 50.3 -61.7 -41.6 18.8 24.1 17.8 564 583 A A H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.924 110.8 50.0 -59.4 -42.6 18.4 25.6 21.3 565 584 A D H X S+ 0 0 30 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.944 110.1 49.0 -58.7 -47.9 16.5 28.6 19.9 566 585 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 6,-1.2 0.877 114.6 45.3 -66.5 -37.4 14.1 26.5 17.8 567 586 A I H ><5S+ 0 0 69 -4,-2.0 3,-1.7 -5,-0.2 -1,-0.2 0.940 111.3 52.3 -70.8 -42.0 13.3 24.3 20.8 568 587 A K H 3<5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.875 110.6 48.8 -65.5 -37.3 13.0 27.3 23.2 569 588 A R T 3<5S- 0 0 10 -4,-2.4 -227,-2.4 -5,-0.2 -1,-0.3 0.401 112.3-120.5 -79.2 -2.4 10.5 28.9 20.9 570 589 A G T < 5S+ 0 0 15 -3,-1.7 -3,-0.2 -229,-0.2 -2,-0.1 0.777 82.2 116.5 69.0 27.4 8.5 25.8 20.5 571 590 A V S - 0 0 38 6,-2.2 3,-2.0 3,-0.1 6,-0.3 -0.566 25.2-168.5-166.4 90.1 14.6 14.2 18.1 576 595 A P T 3 S+ 0 0 104 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.643 84.8 73.0 -54.1 -21.5 17.7 12.0 17.8 577 596 A S T 3 S+ 0 0 103 4,-0.1 5,-0.0 3,-0.1 6,-0.0 0.707 90.5 79.5 -69.0 -14.1 16.3 10.0 15.0 578 597 A T S X S- 0 0 34 -3,-2.0 3,-0.9 1,-0.1 -3,-0.1 -0.566 90.2-116.3 -94.8 157.1 16.8 13.0 12.8 579 598 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.883 114.1 35.0 -54.4 -44.8 20.0 14.4 11.2 580 599 A H T 3 S- 0 0 56 2,-0.4 3,-0.1 -5,-0.1 -3,-0.1 0.330 112.2-111.1 -96.8 4.2 20.2 17.7 13.2 581 600 A G S < S+ 0 0 22 -3,-0.9 -6,-2.2 -6,-0.3 2,-0.3 0.599 90.0 80.0 78.7 6.6 18.8 16.3 16.4 582 601 A V E -R 574 0H 12 -8,-0.3 2,-0.5 -7,-0.1 -2,-0.4 -0.995 66.3-139.7-145.7 150.7 15.5 18.2 16.1 583 602 A R E -R 573 0H 142 -10,-3.1 -10,-2.2 -2,-0.3 2,-0.2 -0.952 25.0-129.8-109.5 122.6 12.3 17.9 14.3 584 603 A L E -R 572 0H 30 -2,-0.5 -12,-0.3 -12,-0.2 3,-0.1 -0.510 7.2-156.7 -67.3 136.7 10.7 21.1 12.8 585 604 A L S S+ 0 0 22 -14,-3.2 2,-0.6 1,-0.3 -13,-0.2 0.566 97.4 47.3 -86.5 -14.0 7.1 21.7 13.7 586 605 A I S S- 0 0 0 -15,-0.7 3,-0.5 1,-0.1 -1,-0.3 -0.955 83.6-166.4-118.6 97.7 6.8 23.9 10.7 587 606 A E S S+ 0 0 172 -2,-0.6 2,-1.1 1,-0.3 -1,-0.1 0.908 81.1 46.9 -65.9 -39.0 8.4 21.6 8.3 588 607 A D S S+ 0 0 20 -166,-0.3 -1,-0.3 -3,-0.1 3,-0.1 -0.656 73.0 142.8 -96.1 65.6 8.9 24.2 5.4 589 608 A Y > - 0 0 0 -2,-1.1 4,-2.9 -3,-0.5 5,-0.3 -0.923 37.3-160.5-103.1 95.3 10.3 26.9 7.8 590 609 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.874 80.6 46.0 -55.5 -47.1 12.9 28.4 5.5 591 610 A Y H > S+ 0 0 3 -259,-1.7 4,-2.4 1,-0.2 5,-0.1 0.939 119.5 42.0 -58.8 -46.7 15.2 30.2 7.9 592 611 A A H > S+ 0 0 0 -260,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.945 115.7 47.5 -69.5 -45.7 15.3 27.2 10.2 593 612 A A H X S+ 0 0 16 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.945 120.5 38.5 -61.1 -49.9 15.6 24.5 7.6 594 613 A D H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 3,-0.3 0.881 113.9 55.5 -69.1 -35.7 18.3 26.3 5.8 595 614 A G H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.4 -2,-0.2 0.851 101.5 57.5 -67.5 -36.0 20.0 27.5 8.9 596 615 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.861 103.6 54.3 -61.7 -36.6 20.3 24.0 10.3 597 616 A E H X S+ 0 0 24 -4,-1.0 4,-1.8 -3,-0.3 -2,-0.2 0.948 112.5 41.8 -60.1 -49.4 22.3 23.1 7.2 598 617 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.912 112.4 55.2 -63.4 -43.6 24.7 26.0 7.8 599 618 A W H X S+ 0 0 18 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.921 108.8 47.8 -55.6 -44.8 24.8 25.3 11.6 600 619 A A H X S+ 0 0 28 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.885 110.2 51.7 -64.2 -43.5 25.9 21.6 10.9 601 620 A A H X S+ 0 0 4 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.868 112.7 45.2 -60.7 -41.9 28.6 22.6 8.4 602 621 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.895 112.3 52.4 -67.8 -46.0 30.1 25.1 11.0 603 622 A K H X S+ 0 0 85 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.939 109.0 49.0 -49.2 -54.1 29.8 22.4 13.7 604 623 A T H X S+ 0 0 83 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.897 112.8 49.5 -55.0 -42.5 31.6 19.8 11.5 605 624 A W H X S+ 0 0 3 -4,-1.6 4,-2.7 2,-0.2 3,-0.4 0.951 113.4 43.3 -65.2 -50.6 34.4 22.4 10.8 606 625 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.940 112.8 53.4 -62.5 -45.2 34.9 23.4 14.4 607 626 A Q H < S+ 0 0 97 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.743 114.0 43.4 -59.9 -27.1 34.8 19.7 15.5 608 627 A E H X S+ 0 0 61 -4,-1.4 4,-0.6 -3,-0.4 -1,-0.2 0.823 116.3 46.5 -85.9 -38.9 37.5 18.9 13.0 609 628 A Y H >X S+ 0 0 1 -4,-2.7 3,-1.2 -5,-0.2 4,-0.5 0.946 105.9 57.6 -67.5 -48.7 39.6 21.9 13.8 610 629 A V H >X S+ 0 0 0 -4,-3.1 3,-2.4 1,-0.3 4,-1.7 0.916 100.6 54.9 -57.3 -52.2 39.5 21.7 17.6 611 630 A P H 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.759 95.8 69.0 -49.3 -30.5 41.0 18.1 17.8 612 631 A L H << S+ 0 0 75 -3,-1.2 -2,-0.2 -4,-0.6 3,-0.1 0.771 117.0 22.9 -57.5 -24.6 44.0 19.3 15.8 613 632 A Y H << S+ 0 0 36 -3,-2.4 2,-0.4 -4,-0.5 -1,-0.2 0.551 126.4 45.5-122.6 -14.1 45.1 21.4 18.8 614 633 A Y < + 0 0 2 -4,-1.7 -1,-0.3 1,-0.1 3,-0.1 -0.961 51.3 177.4-137.5 114.4 43.4 19.8 21.8 615 634 A A S S+ 0 0 75 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.805 71.1 14.4 -81.1 -34.9 43.6 16.0 22.2 616 635 A R S >> S- 0 0 171 1,-0.1 3,-0.8 36,-0.0 4,-0.5 -0.889 80.4-102.1-140.3 164.3 41.8 15.8 25.5 617 636 A D H >> S+ 0 0 77 -2,-0.3 4,-1.9 1,-0.2 3,-1.1 0.838 117.9 60.9 -57.6 -41.3 39.6 17.8 27.9 618 637 A D H 3> S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 95.9 61.2 -52.4 -38.1 42.7 18.5 30.1 619 638 A D H <4 S+ 0 0 68 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.725 106.5 46.8 -66.0 -25.3 44.4 20.2 27.2 620 639 A V H X< S+ 0 0 0 -3,-1.1 3,-1.3 -4,-0.5 -2,-0.2 0.851 110.8 49.8 -77.3 -46.7 41.6 22.8 27.2 621 640 A K H 3< S+ 0 0 45 -4,-1.9 -2,-0.2 30,-0.4 -3,-0.1 0.807 112.1 49.5 -60.2 -33.6 41.6 23.3 31.0 622 641 A N T 3< S+ 0 0 122 -4,-1.8 2,-1.0 -5,-0.2 -1,-0.2 0.254 79.5 105.3 -96.3 9.1 45.3 23.9 31.0 623 642 A D <> - 0 0 5 -3,-1.3 4,-2.2 1,-0.2 5,-0.2 -0.844 53.4-168.6 -87.8 102.2 45.4 26.4 28.1 624 643 A S H > S+ 0 0 61 -2,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.742 82.7 49.9 -66.8 -31.1 46.0 29.6 30.2 625 644 A E H > S+ 0 0 12 2,-0.2 4,-2.7 3,-0.1 -1,-0.2 0.937 112.1 48.9 -68.7 -46.3 45.2 32.0 27.3 626 645 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.903 113.3 46.7 -59.2 -43.6 42.0 30.2 26.6 627 646 A Q H X S+ 0 0 40 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.863 113.8 46.5 -68.7 -40.5 41.0 30.2 30.2 628 647 A H H X S+ 0 0 97 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.850 112.2 53.8 -65.6 -39.2 41.8 33.9 30.7 629 648 A W H X S+ 0 0 0 -4,-2.7 4,-2.8 -131,-0.2 -2,-0.2 0.965 112.7 40.5 -56.4 -57.5 40.0 34.7 27.4 630 649 A W H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.933 112.9 54.8 -64.7 -41.4 36.8 33.1 28.4 631 650 A K H X S+ 0 0 110 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.889 114.5 40.7 -60.6 -39.4 36.9 34.3 32.0 632 651 A E H X>S+ 0 0 27 -4,-1.7 4,-2.3 2,-0.2 5,-2.2 0.896 109.3 57.2 -79.2 -38.8 37.2 37.9 30.8 633 652 A A H <>S+ 0 0 0 -4,-2.8 5,-2.1 3,-0.2 -2,-0.2 0.954 119.8 33.2 -56.9 -42.9 34.7 37.6 27.9 634 653 A V H <5S+ 0 0 13 -4,-2.4 7,-0.3 3,-0.2 -2,-0.2 0.966 125.0 38.5 -74.8 -55.8 32.1 36.5 30.5 635 654 A E H <5S+ 0 0 73 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.775 136.1 15.9 -79.7 -22.3 33.0 38.4 33.6 636 655 A K T ><5S+ 0 0 123 -4,-2.3 3,-1.4 -5,-0.3 -3,-0.2 0.763 128.5 44.4-108.5 -55.1 34.0 41.7 31.9 637 656 A G T 3 S- 0 0 39 -32,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.956 82.8-118.3-139.1 156.0 36.1 20.2 28.0 653 672 A L H > S+ 0 0 42 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.818 117.7 58.1 -54.4 -35.9 36.6 19.8 24.2 654 673 A E H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 107.3 45.7 -61.8 -47.4 32.8 19.7 24.1 655 674 A D H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 111.8 49.7 -65.5 -50.6 32.6 23.1 25.7 656 675 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.943 112.8 47.8 -50.4 -49.9 35.2 24.7 23.6 657 676 A V H X S+ 0 0 18 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 111.8 51.3 -60.4 -45.3 33.5 23.4 20.4 658 677 A E H X S+ 0 0 69 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.937 111.7 45.4 -56.4 -53.5 30.1 24.7 21.7 659 678 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.917 115.6 46.2 -58.6 -46.4 31.4 28.2 22.4 660 679 A C H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.902 112.1 51.9 -63.7 -39.2 33.3 28.5 19.1 661 680 A L H X S+ 0 0 7 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.909 112.2 45.1 -63.8 -43.8 30.3 27.2 17.2 662 681 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.932 112.0 50.4 -69.1 -47.6 27.9 29.6 18.7 663 682 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.926 113.5 46.6 -54.1 -45.5 30.2 32.7 18.3 664 683 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 5,-0.3 0.895 111.1 52.9 -66.2 -40.2 30.7 31.8 14.6 665 684 A W H <>S+ 0 0 1 -4,-2.1 5,-2.6 -5,-0.2 6,-0.4 0.927 110.1 46.8 -55.6 -52.1 27.0 31.2 14.1 666 685 A I H <>S+ 0 0 0 -4,-2.5 5,-1.5 1,-0.2 -2,-0.2 0.925 115.5 45.7 -56.2 -48.5 26.0 34.6 15.5 667 686 A A H <5S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.736 126.2 21.9 -73.8 -25.6 28.7 36.5 13.5 668 687 A S T X5S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.2 -3,-0.2 0.752 130.2 16.5-108.5 -87.9 28.0 34.8 10.1 669 688 A A H >5S+ 0 0 0 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.851 123.7 50.8 -67.5 -42.1 24.7 33.1 9.4 670 689 A L H >< S+ 0 0 1 -4,-1.9 3,-1.5 -5,-0.3 -3,-0.2 0.894 103.3 51.0 -96.5 -46.8 20.7 41.6 8.1 676 695 A F T 3< S+ 0 0 1 -4,-2.5 135,-0.4 1,-0.3 -3,-0.1 0.542 102.5 62.4 -88.8 6.1 20.6 41.2 4.3 677 696 A G T 3>>S+ 0 0 0 -5,-0.3 4,-2.4 -342,-0.2 5,-0.5 0.393 75.0 96.9 -93.2 -5.8 16.8 41.1 4.1 678 697 A Q H <>5S+ 0 0 8 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.954 94.8 26.7 -64.3 -55.2 16.3 44.7 5.4 679 698 A Y H >5S+ 0 0 2 53,-0.6 4,-2.6 3,-0.2 -366,-0.2 0.938 117.0 61.2 -72.7 -43.2 15.9 46.6 2.1 680 699 A P H 45S+ 0 0 0 0, 0.0 -367,-2.1 0, 0.0 -2,-0.2 0.900 126.6 17.2 -49.9 -37.3 14.6 43.5 0.1 681 700 A Y H <5S+ 0 0 0 -4,-2.4 3,-0.4 -369,-0.1 -2,-0.2 0.797 133.6 42.4-100.0 -35.6 11.7 43.4 2.5 682 701 A G H <> S- 0 0 0 -3,-0.4 3,-1.5 -5,-0.2 4,-1.4 -0.957 81.1-155.3-102.7 105.6 8.6 49.2 0.8 685 704 A I T 34 S+ 0 0 3 -2,-0.7 35,-0.2 1,-0.3 -1,-0.1 0.857 90.1 60.0 -56.7 -33.9 7.7 51.2 3.9 686 705 A M T 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.809 105.3 49.5 -62.4 -30.7 4.1 49.8 3.9 687 706 A N T <4 S+ 0 0 11 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.830 128.3 19.8 -76.7 -35.1 5.5 46.3 4.2 688 707 A R S < S- 0 0 18 -4,-1.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.571 80.2-169.7-135.7 69.8 7.8 47.0 7.1 689 708 A P - 0 0 1 0, 0.0 -217,-0.3 0, 0.0 3,-0.1 -0.373 11.0-157.5 -61.1 139.6 6.7 50.2 8.8 690 709 A T S S+ 0 0 11 1,-0.2 -151,-2.3 -153,-0.1 2,-0.3 0.567 70.3 11.1 -93.3 -12.6 9.2 51.5 11.3 691 710 A A - 0 0 13 -153,-0.3 29,-1.1 -152,-0.1 2,-0.3 -0.973 59.2-142.0-160.8 155.3 6.8 53.6 13.5 692 711 A S B -S 719 0I 1 -2,-0.3 -284,-2.4 27,-0.2 27,-0.2 -0.974 8.1-171.0-129.9 145.8 3.1 54.2 14.0 693 712 A R + 0 0 39 25,-3.0 2,-0.3 -2,-0.3 -287,-0.1 0.481 65.3 31.2-118.5 -3.5 1.7 57.7 14.8 694 713 A R - 0 0 46 -286,-0.4 -1,-0.2 24,-0.4 -286,-0.2 -0.970 69.2-125.9-154.4 150.1 -2.0 57.2 15.8 695 714 A L - 0 0 28 -2,-0.3 -2,-0.1 1,-0.2 -285,-0.0 -0.303 57.2 -64.8 -89.7 178.7 -4.1 54.5 17.4 696 715 A L - 0 0 21 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.395 63.3-109.8 -63.1 140.8 -7.2 53.1 15.8 697 716 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.469 24.0-111.6 -75.3 150.8 -9.9 55.7 15.3 698 717 A E > - 0 0 113 -2,-0.1 3,-1.7 1,-0.1 6,-0.4 -0.553 30.1-114.3 -73.0 142.5 -13.3 55.8 17.2 699 718 A K T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.636 109.5 60.0 -53.0 -18.1 -16.4 55.2 15.1 700 719 A G T 3 S+ 0 0 77 4,-0.0 -1,-0.3 5,-0.0 -2,-0.0 0.456 92.4 89.3 -91.9 8.2 -17.7 58.7 15.5 701 720 A T S <> S- 0 0 39 -3,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.483 80.2-115.6-120.6 164.2 -14.9 60.6 13.9 702 721 A P H > S+ 0 0 101 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.893 116.5 56.6 -59.6 -36.8 -13.4 62.2 10.8 703 722 A E H > S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 -4,-0.1 0.917 105.5 50.9 -63.8 -41.3 -10.4 59.7 11.1 704 723 A Y H > S+ 0 0 38 -6,-0.4 4,-1.0 1,-0.2 3,-0.3 0.915 108.7 51.5 -62.2 -40.2 -12.9 56.8 11.0 705 724 A E H X S+ 0 0 91 -4,-1.9 4,-2.6 1,-0.2 3,-0.2 0.834 103.3 59.1 -67.2 -30.6 -14.6 58.1 7.9 706 725 A E H X S+ 0 0 31 -4,-1.8 4,-3.0 1,-0.2 8,-0.3 0.858 99.1 58.2 -62.9 -35.4 -11.1 58.4 6.3 707 726 A M H < S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.844 112.5 40.9 -60.6 -33.1 -10.7 54.6 6.8 708 727 A I H < S+ 0 0 82 -4,-1.0 3,-0.3 -3,-0.2 -2,-0.2 0.933 125.7 33.0 -79.6 -45.6 -13.8 54.1 4.8 709 728 A N H < S+ 0 0 124 -4,-2.6 2,-0.2 1,-0.2 -3,-0.2 0.804 134.6 15.8 -89.5 -29.7 -13.2 56.7 2.1 710 729 A N X + 0 0 75 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 -0.634 62.1 169.8-146.0 76.3 -9.4 56.7 1.7 711 730 A H H > S+ 0 0 71 -3,-0.3 4,-2.0 1,-0.2 5,-0.2 0.797 78.4 57.0 -65.1 -27.2 -7.9 53.6 3.2 712 731 A E H > S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.930 109.1 45.9 -69.7 -40.8 -4.4 54.3 1.7 713 732 A K H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.842 110.6 52.8 -66.7 -40.9 -4.2 57.7 3.3 714 733 A A H X S+ 0 0 0 -4,-1.8 4,-1.0 -8,-0.3 -1,-0.2 0.918 112.3 46.4 -58.5 -45.0 -5.4 56.3 6.6 715 734 A Y H >X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.2 3,-0.8 0.949 113.5 46.7 -59.3 -53.4 -2.7 53.8 6.4 716 735 A L H 3< S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.842 109.1 55.1 -61.5 -33.6 -0.1 56.3 5.5 717 736 A R H 3< S+ 0 0 107 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.759 110.3 48.5 -67.6 -23.5 -1.2 58.7 8.2 718 737 A T H << S+ 0 0 1 -4,-1.0 -25,-3.0 -3,-0.8 -24,-0.4 0.862 108.4 57.5 -87.7 -41.7 -0.7 55.8 10.7 719 738 A I B < S-S 692 0I 0 -4,-2.3 -27,-0.2 -27,-0.2 -33,-0.1 -0.232 106.1 -44.0 -85.1 177.1 2.8 54.6 9.6 720 739 A T - 0 0 4 -29,-1.1 -1,-0.2 -35,-0.2 -2,-0.1 -0.078 65.8-115.6 -36.8 127.9 6.2 56.3 9.3 721 740 A S > - 0 0 22 -3,-0.1 4,-2.2 -4,-0.1 5,-0.2 -0.182 29.6-100.0 -64.0 161.8 6.0 59.8 7.7 722 741 A K H > S+ 0 0 15 -460,-0.4 4,-2.2 2,-0.2 5,-0.1 0.839 117.1 50.9 -53.7 -48.1 7.7 60.5 4.4 723 742 A L H > S+ 0 0 33 -461,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.971 113.4 42.8 -62.4 -56.1 10.9 62.2 5.7 724 743 A P H > S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.844 111.6 59.0 -53.9 -34.4 11.8 59.4 8.2 725 744 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.953 104.0 49.8 -60.3 -47.5 10.9 56.9 5.5 726 745 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.871 114.6 44.3 -60.5 -38.6 13.5 58.4 3.2 727 746 A I H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.939 115.1 46.0 -71.6 -47.1 16.2 58.3 5.9 728 747 A S H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.900 111.7 52.7 -67.1 -39.4 15.4 54.7 7.1 729 748 A L H X S+ 0 0 4 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.2 0.899 109.8 50.1 -57.5 -42.3 15.2 53.4 3.5 730 749 A S H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.932 112.5 45.2 -65.1 -41.2 18.6 54.9 2.8 731 750 A V H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.948 114.2 46.9 -71.2 -46.0 20.2 53.3 5.9 732 751 A I H X S+ 0 0 17 -4,-2.7 4,-0.8 1,-0.2 -53,-0.6 0.840 107.8 58.4 -67.2 -26.2 18.7 49.8 5.4 733 752 A E H >< S+ 0 0 8 -4,-1.6 3,-0.8 -5,-0.3 4,-0.3 0.959 108.8 45.0 -62.6 -46.7 19.7 50.0 1.7 734 753 A I H >< S+ 0 0 1 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.912 112.8 50.4 -56.7 -49.0 23.4 50.5 2.9 735 754 A L H 3< S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.569 107.8 53.6 -73.5 -10.4 23.1 47.7 5.5 736 755 A S T << S+ 0 0 0 -4,-0.8 75,-0.4 -3,-0.8 2,-0.4 0.362 91.2 97.0-100.3 3.1 21.7 45.3 2.9 737 756 A T < - 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