==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JUN-06 2IUJ . COMPND 2 MOLECULE: LIPOXYGENASE L-5; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR B.YOUN,G.E.SELLHORN,R.J.MIRCHEL,B.J.GAFFNEY,H.D.GRIMES, . 832 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 62.3 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 . 87 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 1 0.1 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 . 63 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 25.7 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 2 2 5 0 2 2 2 1 2 1 1 0 0 0 0 0 0 0 0 2 2 0 0 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 . 6 3 1 1 3 1 2 0 1 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 0 1 1 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 8 A G 0 0 61 0, 0.0 80,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 89.3 -11.9 10.6 30.5 2 9 A Q + 0 0 132 1,-0.2 79,-1.3 78,-0.1 2,-0.5 0.845 360.0 14.2 -48.2 -71.3 -12.2 12.8 27.3 3 10 A K E -A 80 0A 71 77,-0.3 2,-0.5 107,-0.1 77,-0.2 -0.976 52.7-157.4-132.1 124.9 -8.9 14.5 26.2 4 11 A I E -A 79 0A 0 75,-2.7 75,-2.5 -2,-0.5 2,-0.8 -0.863 28.3-124.0 -97.5 130.0 -5.4 13.8 27.2 5 12 A K E -A 78 0A 65 -2,-0.5 104,-2.3 104,-0.4 2,-0.4 -0.650 28.4-174.8 -82.5 107.8 -3.1 16.8 26.6 6 13 A G E -AB 77 108A 1 71,-3.1 71,-3.5 -2,-0.8 2,-0.4 -0.855 1.2-175.3 -96.8 137.2 -0.2 15.9 24.4 7 14 A T E -AB 76 107A 6 100,-1.3 100,-1.5 -2,-0.4 2,-0.3 -0.884 8.3-158.6-138.0 111.2 2.4 18.6 23.9 8 15 A M E -AB 75 106A 2 67,-0.7 67,-3.4 -2,-0.4 2,-0.4 -0.661 2.3-159.2 -91.4 134.1 5.3 18.0 21.4 9 16 A V E +AB 74 105A 10 96,-1.9 95,-2.2 -2,-0.3 96,-1.2 -0.925 22.3 157.3-117.1 139.5 8.7 19.7 21.4 10 17 A V E -AB 73 103A 0 63,-2.7 63,-1.7 -2,-0.4 2,-0.4 -0.918 35.3-129.4-146.1 166.8 10.9 19.8 18.4 11 18 A M E -AB 72 102A 12 91,-2.4 91,-3.9 -2,-0.3 61,-0.1 -0.999 31.1-124.2-124.8 130.8 13.7 21.6 16.5 12 19 A Q E >> - B 0 101A 5 59,-0.5 3,-2.3 -2,-0.4 4,-0.7 -0.452 23.9-110.8 -76.4 150.3 13.4 22.5 12.8 13 20 A K G >4 S+ 0 0 41 87,-1.0 3,-1.0 1,-0.3 14,-0.1 0.809 114.0 57.6 -42.5 -48.0 15.9 21.4 10.2 14 21 A N G 34 S+ 0 0 17 12,-0.7 -1,-0.3 1,-0.2 3,-0.2 0.513 100.1 59.1 -61.0 -11.8 17.4 25.0 9.6 15 22 A V G <4 S+ 0 0 25 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.713 111.0 38.4 -94.7 -27.6 18.3 25.3 13.3 16 23 A L S << S+ 0 0 21 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.2 -0.051 102.1 94.0-111.5 28.9 20.7 22.3 13.4 17 24 A D S S- 0 0 44 3,-0.2 227,-0.1 -3,-0.2 223,-0.0 -0.926 74.2-133.5-124.7 143.7 22.1 22.9 9.9 18 25 A I S S+ 0 0 63 -2,-0.3 -1,-0.1 226,-0.1 226,-0.1 0.838 100.5 12.5 -71.9 -33.9 25.3 24.8 9.0 19 26 A N S S+ 0 0 133 -3,-0.0 -2,-0.1 225,-0.0 -5,-0.0 0.878 90.3 111.7-105.9 -62.6 23.6 26.9 6.2 20 27 A S + 0 0 23 -4,-0.0 -3,-0.2 -7,-0.0 2,-0.1 0.355 62.5 29.3 -31.8 136.0 19.6 26.7 6.1 21 28 A I - 0 0 57 3,-0.0 3,-0.0 -6,-0.0 0, 0.0 0.105 45.7-156.1 88.8 159.0 17.4 29.7 6.8 22 29 A T - 0 0 137 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.569 68.2 -72.5-115.6 -67.5 17.9 33.6 6.5 23 30 A S 0 0 97 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.023 360.0 360.0-163.8 -56.6 15.5 35.0 9.1 24 31 A V 0 0 139 -3,-0.0 -3,-0.0 2,-0.0 3,-0.0 0.182 360.0 360.0-114.5 360.0 12.2 34.2 7.2 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 L 0 0 110 0, 0.0 -12,-0.7 0, 0.0 -13,-0.0 0.000 360.0 360.0 360.0 46.0 13.6 27.1 5.5 27 47 A D - 0 0 48 -14,-0.1 -15,-0.1 -13,-0.1 -12,-0.0 0.525 360.0-155.5 -70.8 -10.2 12.2 28.0 8.9 28 48 A T + 0 0 27 1,-0.1 3,-0.1 2,-0.1 69,-0.0 0.862 30.8 154.2 25.4 96.3 9.0 25.8 8.4 29 49 A V + 0 0 65 1,-0.1 2,-1.4 -17,-0.0 -1,-0.1 0.926 27.6 74.8-118.6 -58.6 6.6 27.4 10.8 30 50 A T - 0 0 102 5,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.494 57.1-176.7 -81.6 88.9 2.7 27.6 10.8 31 51 A F + 0 0 12 -2,-1.4 2,-0.1 -3,-0.1 4,-0.1 -0.629 17.5 125.1 -88.9 139.1 1.5 24.1 11.9 32 52 A L + 0 0 90 2,-0.4 2,-1.8 -2,-0.3 27,-0.7 -0.480 59.5 8.1-151.2-146.7 -2.2 23.1 12.1 33 53 A A S S- 0 0 50 25,-0.2 4,-0.1 -2,-0.1 27,-0.0 -0.485 130.8 -6.5 -62.4 81.5 -4.9 20.5 11.0 34 54 A S S S+ 0 0 53 -2,-1.8 -2,-0.4 2,-0.4 3,-0.1 0.560 85.2 108.4 79.6 132.8 -2.3 18.3 9.4 35 55 A S S S+ 0 0 25 59,-0.2 61,-2.9 -4,-0.1 62,-1.0 -0.382 102.8 20.0 173.2 -48.8 1.4 19.0 9.0 36 56 A I E S-D 95 0B 1 -4,-0.5 23,-1.1 59,-0.2 -2,-0.4 -0.995 73.2-168.8-131.0 139.0 2.1 16.4 11.7 37 57 A S E -DE 94 58B 0 57,-2.0 57,-2.0 -2,-0.3 2,-0.4 -0.970 5.1-160.4-121.8 145.8 -0.4 13.6 12.9 38 58 A I E -DE 93 57B 1 19,-1.9 19,-1.6 -2,-0.3 2,-0.4 -0.982 6.1-166.4-127.5 138.8 0.1 11.4 16.1 39 59 A Q E -D 92 0B 40 53,-2.4 53,-1.6 -2,-0.4 2,-0.4 -0.938 19.6-135.7-110.5 144.1 -1.5 8.0 16.9 40 60 A L E -DE 91 54B 3 14,-0.8 14,-2.5 -2,-0.4 2,-0.3 -0.857 12.9-152.1-102.0 138.7 -1.3 6.7 20.6 41 61 A I E - E 0 53B 0 49,-2.5 48,-0.8 -2,-0.4 49,-0.5 -0.807 20.0-118.0-106.5 148.7 -0.4 3.1 21.2 42 62 A S E -D 88 0B 0 10,-1.8 9,-0.3 -2,-0.3 44,-0.1 -0.794 24.4-176.5-102.0 135.7 -1.6 1.3 24.3 43 63 A A E S+ 0 0 17 44,-3.0 109,-0.3 -2,-0.4 107,-0.1 0.570 93.8 33.7 -87.8 -25.3 0.6 -0.2 27.1 44 64 A T E S+ 0 0 72 43,-1.1 2,-0.4 41,-0.3 42,-0.2 0.810 110.8 51.4-104.2 -46.7 -2.5 -1.5 28.8 45 65 A K E - 0 0 65 40,-1.0 7,-3.2 42,-0.2 -3,-0.2 -0.879 66.1-160.6-114.6 129.8 -5.3 -2.6 26.2 46 66 A A E - E 0 51B 39 -2,-0.4 2,-0.3 5,-0.3 5,-0.3 -0.393 32.5-152.1-110.8 174.0 -5.0 -4.9 23.2 47 67 A D S S- 0 0 123 3,-2.3 2,-0.8 -2,-0.1 -2,-0.0 -0.787 97.1 -29.9-138.2 85.7 -6.1 -6.3 19.8 48 68 A G S S- 0 0 93 -2,-0.3 -2,-0.1 1,-0.2 3,-0.1 -0.684 130.9 -35.3 109.8 -73.8 -4.8 -9.8 19.8 49 69 A G S S+ 0 0 21 -2,-0.8 105,-0.4 102,-0.1 2,-0.3 -0.208 123.0 95.6-175.5 48.9 -1.7 -9.3 21.9 50 70 A K S S- 0 0 62 103,-0.1 -3,-2.3 104,-0.1 102,-0.2 -0.872 77.9-103.1-158.3 124.6 -1.0 -5.8 20.6 51 71 A G E -E 46 0B 2 100,-1.5 -5,-0.3 -9,-0.3 -8,-0.1 -0.035 40.5 -98.9 -55.4 138.7 -1.9 -2.5 22.1 52 72 A K E - 0 0 71 -7,-3.2 -10,-1.8 33,-0.2 2,-0.4 -0.161 32.1-147.6 -48.0 139.9 -4.7 -0.4 20.7 53 73 A V E -E 41 0B 68 -12,-0.2 2,-0.6 -3,-0.1 -12,-0.2 -0.982 16.4-141.5-117.8 137.2 -3.6 2.4 18.4 54 74 A G E -E 40 0B 19 -14,-2.5 -14,-0.8 -2,-0.4 3,-0.1 -0.773 31.0 -69.1-134.5 108.6 -5.7 5.5 18.5 55 75 A K E - 0 0 167 -2,-0.6 -17,-0.2 -16,-0.2 -1,-0.2 0.933 55.1 -90.4 33.4 119.7 -6.8 7.8 15.8 56 76 A A E - 0 0 66 -17,-0.1 2,-0.5 -19,-0.1 -17,-0.2 -0.195 46.6-164.2 -53.9 122.6 -4.7 10.1 13.9 57 77 A T E -E 38 0B 21 -19,-1.6 -19,-1.9 -3,-0.1 -1,-0.1 -0.980 9.6-137.8-117.4 120.4 -4.6 13.4 15.7 58 78 A N E -E 37 0B 62 -2,-0.5 2,-1.7 -21,-0.2 20,-0.3 -0.325 28.9-104.9 -74.3 156.6 -3.4 16.7 14.1 59 79 A L - 0 0 2 -23,-1.1 18,-0.2 -27,-0.7 17,-0.2 -0.464 37.4-178.8 -98.7 82.9 -1.3 19.2 16.0 60 80 A R + 0 0 181 -2,-1.7 2,-0.2 15,-0.1 17,-0.2 0.256 56.0 60.2 -57.9 4.1 -3.7 21.8 16.9 61 81 A G + 0 0 16 15,-0.8 15,-0.1 -29,-0.1 -30,-0.1 -0.739 39.7 172.0-132.8 177.7 -1.2 24.1 18.7 62 82 A K + 0 0 70 -2,-0.2 2,-0.3 13,-0.2 12,-0.3 0.283 45.3 104.4-172.4 8.1 2.0 26.0 18.1 63 83 A I - 0 0 144 1,-0.2 -1,-0.0 10,-0.1 10,-0.0 -0.797 64.9 -55.7-124.4 164.0 3.0 28.3 21.1 64 84 A T - 0 0 98 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.466 15.6-172.8 -21.4 140.1 5.3 28.7 24.1 65 85 A L - 0 0 64 4,-0.1 2,-0.6 0, 0.0 -1,-0.1 0.097 53.8-131.2-113.0 22.8 5.9 26.3 27.0 66 86 A P S S+ 0 0 114 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.647 95.1 48.6 -77.6 0.2 7.5 29.1 27.7 67 87 A T S S+ 0 0 128 -2,-0.6 3,-0.1 1,-0.2 -3,-0.0 -0.330 70.9 137.6 -97.9 43.4 10.8 27.6 28.7 68 88 A I - 0 0 38 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.961 63.0-105.4 -59.3 -54.5 10.8 25.4 25.5 69 89 A G > - 0 0 46 -3,-0.3 3,-1.1 3,-0.2 2,-0.5 -0.802 46.0 -45.9 143.2 172.3 14.5 26.0 24.7 70 90 A A T 3 S- 0 0 61 1,-0.3 3,-0.1 -2,-0.2 -3,-0.0 -0.625 125.1 -7.8 -76.9 122.5 16.7 27.9 22.3 71 91 A K T 3 S+ 0 0 127 -2,-0.5 -59,-0.5 1,-0.2 2,-0.5 0.701 102.0 134.6 61.4 29.7 15.4 27.5 18.8 72 92 A E E < -A 11 0A 49 -3,-1.1 2,-0.3 -61,-0.1 -61,-0.2 -0.906 40.8-156.3-112.0 126.6 12.8 24.9 19.9 73 93 A E E -A 10 0A 46 -63,-1.7 -63,-2.7 -2,-0.5 2,-0.4 -0.711 8.7-152.9 -95.8 148.3 9.2 24.9 18.7 74 94 A A E -A 9 0A 3 -2,-0.3 -65,-0.3 -12,-0.3 2,-0.2 -0.982 7.8-165.7-131.7 129.2 6.4 23.3 20.7 75 95 A Y E -A 8 0A 2 -67,-3.4 -67,-0.7 -2,-0.4 2,-0.4 -0.562 6.7-144.7-105.6 170.5 3.1 21.8 19.5 76 96 A D E +A 7 0A 48 -69,-0.3 -15,-0.8 -2,-0.2 2,-0.4 -0.994 13.8 178.1-143.8 135.1 -0.1 20.8 21.2 77 97 A A E -A 6 0A 4 -71,-3.5 -71,-3.1 -2,-0.4 2,-0.7 -0.997 21.2-147.3-139.0 144.5 -2.7 18.1 20.7 78 98 A Q E -A 5 0A 79 -2,-0.4 2,-0.5 -20,-0.3 -73,-0.2 -0.892 24.1-158.8-110.9 98.3 -5.9 17.1 22.6 79 99 A F E -A 4 0A 5 -75,-2.5 -75,-2.7 -2,-0.7 2,-1.1 -0.651 10.8-138.6 -81.8 119.2 -6.2 13.3 22.2 80 100 A D E +A 3 0A 107 -2,-0.5 -77,-0.3 -77,-0.2 2,-0.2 -0.660 43.6 145.0 -83.3 102.0 -9.7 11.9 22.8 81 101 A W - 0 0 26 -79,-1.3 -27,-0.0 -2,-1.1 0, 0.0 -0.597 28.4-165.5-118.8-172.0 -9.3 8.7 24.8 82 102 A D - 0 0 66 -2,-0.2 -1,-0.1 4,-0.1 -79,-0.0 0.342 45.5 -84.0-134.4 -85.3 -11.3 6.9 27.5 83 103 A S S S+ 0 0 67 4,-0.0 4,-0.1 -38,-0.0 -2,-0.0 0.190 115.0 69.1-173.5 -34.6 -10.2 4.0 29.8 84 104 A D S S+ 0 0 101 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.411 94.8 60.7 -85.1 -0.5 -10.7 0.9 27.6 85 105 A F S S- 0 0 20 1,-0.2 -40,-1.0 -34,-0.0 -41,-0.3 0.708 102.4-157.3 -86.4 -32.9 -7.9 2.2 25.6 86 106 A G - 0 0 2 -42,-0.2 -1,-0.2 -43,-0.1 -4,-0.1 -0.379 36.7 -29.1 86.1-171.4 -5.8 1.9 28.7 87 107 A I - 0 0 37 -4,-0.1 -44,-3.0 -2,-0.1 -43,-1.1 -0.705 63.8-130.0 -84.8 128.5 -2.6 3.7 29.5 88 108 A P E +D 42 0B 1 0, 0.0 -46,-0.2 0, 0.0 3,-0.1 -0.621 31.8 167.3 -74.8 134.2 -0.5 4.7 26.5 89 109 A G E + 0 0 10 -48,-0.8 50,-0.8 -2,-0.3 2,-0.2 -0.250 65.6 22.3-138.3 47.4 3.2 3.8 26.7 90 110 A A E - F 0 138B 0 -49,-0.5 -49,-2.5 48,-0.3 2,-0.3 -0.824 61.9-154.2 163.8 154.7 4.2 4.4 23.0 91 111 A F E -DF 40 137B 0 46,-1.8 46,-2.3 -51,-0.2 2,-0.3 -0.996 13.5-140.4-151.2 153.8 3.2 6.3 19.9 92 112 A Y E -DF 39 136B 29 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114.5 43.4 -96.5 -53.8 40.5 21.0 5.7 256 276 A A H <5S+ 0 0 18 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.828 128.8 28.6 -59.4 -34.2 40.9 17.8 3.8 257 277 A Q T <5S+ 0 0 84 -4,-2.7 -1,-0.2 3,-0.1 -3,-0.2 0.719 135.4 18.8 -99.9 -28.6 38.8 19.0 0.9 258 278 A D T >5S+ 0 0 62 -5,-0.3 4,-0.9 3,-0.1 -3,-0.2 0.785 122.2 42.9-116.3 -42.1 39.2 22.7 0.8 259 279 A V H > S+ 0 0 63 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.865 110.3 49.5 -33.1 -50.8 43.9 22.3 -2.4 262 282 A V H X S+ 0 0 18 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.909 112.5 45.8 -63.3 -44.5 44.8 25.9 -1.6 263 283 A L H X S+ 0 0 5 -4,-2.1 4,-2.2 -3,-0.3 3,-0.4 0.959 110.5 53.6 -65.2 -47.3 48.0 25.0 0.2 264 284 A T H X S+ 0 0 38 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.881 113.0 44.8 -53.6 -42.7 48.9 22.6 -2.6 265 285 A D H X S+ 0 0 84 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.3 0.802 111.7 52.0 -68.7 -33.4 48.5 25.5 -5.0 266 286 A A H <>S+ 0 0 0 -4,-2.0 5,-4.2 -3,-0.4 6,-1.5 0.793 115.6 39.9 -75.5 -31.0 50.4 28.0 -2.9 267 287 A F H ><5S+ 0 0 7 -4,-2.2 3,-2.2 3,-0.2 -2,-0.2 0.958 117.6 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34.6 10.7 313 333 A D - 0 0 69 -2,-1.3 2,-0.3 -3,-0.2 5,-0.1 -0.423 52.7 -17.1 -78.4 143.6 41.0 38.3 11.1 314 334 A G S S- 0 0 82 -2,-0.1 2,-0.3 3,-0.0 3,-0.1 -0.463 103.7 -63.3 67.0-118.8 41.2 40.7 8.2 315 335 A E S S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.2 -21,-0.1 -0.959 98.6 66.6-158.9 167.1 42.9 38.9 5.3 316 336 A Q S S+ 0 0 83 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.954 89.8 109.3 71.8 73.5 46.2 37.3 4.2 317 337 A F + 0 0 67 -26,-0.2 2,-0.2 -3,-0.1 -1,-0.2 -0.944 48.8 174.2-164.5 174.0 45.9 34.5 6.7 318 338 A L - 0 0 15 -2,-0.3 -28,-1.4 -30,-0.1 2,-0.4 -0.584 44.4-142.5 173.5 143.5 45.4 31.0 8.4 319 339 A K - 0 0 59 -30,-0.2 -33,-0.1 -2,-0.2 -7,-0.1 -0.934 20.6-169.8-148.7 128.4 46.1 30.9 12.2 320 340 A Y - 0 0 5 -35,-0.9 -31,-0.1 -2,-0.4 -32,-0.1 -0.841 21.8-129.8-115.7 134.5 47.5 28.9 15.0 321 341 A P - 0 0 47 0, 0.0 -34,-0.1 0, 0.0 -35,-0.1 -0.555 40.0 -98.3 -63.5 144.4 47.4 29.3 18.8 322 342 A P - 0 0 60 0, 0.0 5,-0.1 0, 0.0 375,-0.1 -0.594 48.0-120.5 -65.7 111.0 50.7 29.1 20.8 323 343 A P > - 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V H <> S+ 0 0 1 -3,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.801 111.2 48.1 -96.7 -41.0 61.7 8.4 18.5 481 501 A V H >X S+ 0 0 13 -4,-2.1 4,-3.2 2,-0.2 3,-0.5 0.949 110.3 54.8 -60.1 -48.2 58.9 11.0 18.6 482 502 A V H 3X S+ 0 0 1 -4,-2.9 4,-0.9 1,-0.2 70,-0.3 0.904 109.8 47.1 -45.9 -49.4 58.3 10.3 14.9 483 503 A N H 34 S+ 0 0 0 -4,-0.5 4,-0.3 -5,-0.2 -1,-0.2 0.808 117.8 42.5 -59.6 -37.0 57.9 6.6 15.7 484 504 A D H >S+ 0 0 47 -4,-0.3 5,-2.0 -3,-0.3 4,-1.8 0.850 114.9 46.2 -71.1 -33.7 51.8 4.8 17.0 488 508 A H H <>S+ 0 0 5 -4,-2.9 5,-2.3 3,-0.2 4,-0.4 0.984 112.6 43.6 -62.6 -79.3 49.6 7.4 18.7 489 509 A Q H <>S+ 0 0 10 -4,-2.1 5,-2.0 1,-0.2 -3,-0.2 0.711 127.9 30.9 -36.2 -42.4 47.4 8.7 15.9 490 510 A I H <>S+ 0 0 0 -4,-1.1 5,-3.6 3,-0.2 -1,-0.2 0.892 133.0 18.2 -91.2 -50.8 46.8 5.2 14.6 491 511 A I I <>S+ 0 0 1 -4,-1.8 5,-2.7 -5,-0.4 -3,-0.2 0.927 126.9 39.6 -93.3 -54.7 46.9 2.8 17.5 492 512 A S I XS+ 0 0 7 -5,-2.3 4,-1.4 -6,-0.3 5,-0.8 0.902 129.4 31.3-103.1 -76.1 43.8 6.9 19.1 494 514 A W I 4XS+ 0 0 12 -5,-2.0 5,-3.2 -6,-0.3 6,-0.3 0.981 129.5 31.1 -58.0 -62.1 42.2 5.6 15.9 495 515 A L I 4XS+ 0 0 0 -5,-3.6 5,-1.6 1,-0.2 -4,-0.2 0.969 121.3 45.3 -64.4 -57.7 42.3 1.8 16.6 496 516 A N T 4> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.678 108.6 54.0 -59.5 -23.6 30.8 -2.5 16.8 504 524 A F H <> S+ 0 0 1 -3,-1.3 4,-1.8 -4,-0.2 5,-0.3 0.936 108.2 46.7 -75.8 -49.5 29.4 -1.6 20.2 505 525 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 5,-0.2 0.925 118.4 43.6 -57.9 -40.4 27.3 1.3 18.8 506 526 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.930 113.8 48.1 -74.7 -45.5 26.0 -1.1 16.1 507 527 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.712 110.7 52.0 -65.6 -25.6 25.4 -4.1 18.3 508 528 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.920 111.3 45.9 -77.8 -49.9 23.5 -2.1 21.0 509 529 A N H < S+ 0 0 14 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.1 0.883 116.0 46.1 -66.3 -32.0 21.1 -0.6 18.5 510 530 A R H < S+ 0 0 28 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.816 128.8 19.7 -77.8 -34.9 20.4 -3.9 16.7 511 531 A H H < S+ 0 0 30 -4,-1.3 2,-0.5 1,-0.2 131,-0.2 0.504 112.7 68.2-114.4 -4.1 19.9 -6.2 19.8 512 532 A L S < S- 0 0 1 -4,-2.2 -1,-0.2 -5,-0.1 127,-0.0 -0.923 79.7-129.4-126.9 108.9 19.1 -3.9 22.7 513 533 A S > - 0 0 0 -2,-0.5 3,-2.9 1,-0.1 6,-0.3 -0.078 21.0-114.7 -56.3 147.4 15.8 -2.0 22.6 514 534 A V T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.0 0.555 120.3 54.8 -59.8 -9.8 15.7 1.7 23.1 515 535 A V T 3 S+ 0 0 6 -372,-0.1 -372,-2.3 -373,-0.1 -1,-0.3 0.467 85.6 114.5-102.6 -4.5 13.7 0.9 26.2 516 536 A H <> - 0 0 0 -3,-2.9 4,-2.1 -374,-0.2 -372,-0.2 -0.430 68.9-130.3 -74.8 138.9 16.4 -1.5 27.7 517 537 A P H > S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 3,-0.1 0.938 110.9 41.4 -43.1 -60.0 18.3 -0.8 31.0 518 538 A I H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.778 108.2 59.0 -68.3 -32.1 21.6 -1.6 29.3 519 539 A Y H > S+ 0 0 23 -6,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.957 110.9 44.2 -56.7 -47.3 20.8 0.3 26.0 520 540 A K H < S+ 0 0 19 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.683 109.4 56.9 -73.5 -19.5 20.3 3.4 28.1 521 541 A L H < S+ 0 0 5 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.965 119.5 29.6 -67.4 -57.8 23.5 2.8 30.2 522 542 A L H >< S+ 0 0 0 -4,-1.9 3,-2.9 1,-0.2 -2,-0.2 0.897 98.5 88.8 -69.0 -48.6 25.8 2.7 27.2 523 543 A F G >< S+ 0 0 72 -4,-2.8 3,-1.5 -5,-0.3 -1,-0.2 0.586 83.2 51.5 -26.9 -53.4 23.9 5.0 24.9 524 544 A P G > S+ 0 0 12 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.599 100.7 67.2 -73.2 -7.7 25.4 8.5 25.8 525 545 A H G < S+ 0 0 6 -3,-2.9 306,-0.4 1,-0.2 -2,-0.2 0.254 94.4 57.5 -89.4 8.5 28.8 7.0 25.3 526 546 A Y G X> S+ 0 0 3 -3,-1.5 3,-1.7 -4,-0.1 4,-0.6 0.332 70.3 144.7-117.0 2.9 28.2 6.7 21.6 527 547 A R T <4 S- 0 0 57 -3,-0.5 303,-0.1 1,-0.3 229,-0.1 -0.291 82.5 -19.7 -59.6 109.7 27.5 10.3 20.9 528 548 A D T 3> S+ 0 0 16 -2,-0.3 4,-2.5 -291,-0.3 5,-0.3 0.444 99.5 120.7 69.6 9.8 28.8 11.2 17.3 529 549 A T H <> S+ 0 0 0 -3,-1.7 4,-2.0 1,-0.2 5,-0.2 0.967 76.3 46.4 -68.5 -46.1 31.2 8.2 17.2 530 550 A M H X S+ 0 0 2 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.796 114.2 49.8 -67.4 -26.0 29.5 6.9 14.1 531 551 A N H > S+ 0 0 35 -294,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.883 111.8 44.4 -76.7 -43.8 29.6 10.3 12.5 532 552 A I H X S+ 0 0 4 -4,-2.5 4,-1.0 299,-0.3 -2,-0.2 0.799 114.7 51.3 -74.3 -25.8 33.3 11.1 13.1 533 553 A N H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 -2,-0.2 0.872 107.1 52.1 -78.4 -33.3 34.3 7.6 12.0 534 554 A S H X S+ 0 0 7 -4,-1.4 4,-0.9 1,-0.2 -2,-0.2 0.923 115.0 42.6 -68.6 -38.9 32.3 7.9 8.7 535 555 A L H X S+ 0 0 16 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.729 111.6 54.8 -78.2 -19.6 34.1 11.2 8.0 536 556 A A H X>S+ 0 0 4 -4,-1.0 4,-2.6 2,-0.2 5,-2.6 0.946 106.9 51.2 -73.4 -42.3 37.3 9.7 9.2 537 557 A R H <5S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.751 119.0 38.1 -61.1 -22.4 36.8 6.8 6.6 538 558 A K H <5S+ 0 0 43 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.743 133.8 15.0-100.8 -32.3 36.2 9.4 3.9 539 559 A S H <5S+ 0 0 5 -4,-2.0 7,-1.0 -5,-0.1 -3,-0.2 0.488 128.4 29.3-130.4 2.6 38.8 12.2 4.8 540 560 A L T <5S+ 0 0 18 -4,-2.6 7,-1.8 5,-0.2 8,-0.4 0.661 120.6 34.6-133.5 -44.0 41.4 11.0 7.2 541 561 A V S S- 0 0 37 -6,-0.2 3,-3.3 1,-0.1 2,-0.7 -0.625 87.4 -71.6 -98.9 159.8 41.6 7.0 3.2 543 563 A A T 3 S+ 0 0 9 -357,-2.5 -1,-0.1 1,-0.3 -348,-0.1 -0.425 128.2 4.8 -58.8 101.6 44.1 6.3 0.3 544 564 A D T 3 S+ 0 0 72 -2,-0.7 -1,-0.3 1,-0.2 -3,-0.1 0.480 100.8 144.5 93.2 24.7 45.9 9.7 0.4 545 565 A G <> - 0 0 5 -3,-3.3 4,-1.9 1,-0.1 3,-0.3 -0.117 68.9 -86.6 -79.8 178.3 44.2 11.1 3.4 546 566 A I H > S+ 0 0 3 -7,-1.0 4,-1.7 1,-0.2 5,-0.3 0.871 124.1 55.6 -56.1 -38.0 45.6 13.4 6.0 547 567 A I H > S+ 0 0 11 -7,-1.8 4,-1.5 2,-0.2 7,-0.3 0.910 110.3 43.3 -69.0 -36.9 46.9 10.4 8.1 548 568 A E H 4 S+ 0 0 10 -8,-0.4 6,-0.3 -6,-0.3 -1,-0.2 0.939 118.9 41.4 -72.8 -43.0 49.0 8.9 5.3 549 569 A K H < S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.691 122.6 38.7 -75.5 -20.5 50.5 12.0 4.0 550 570 A T H < S+ 0 0 0 -4,-1.7 2,-0.3 -5,-0.2 -2,-0.2 0.688 109.5 59.6-103.1 -24.1 51.2 13.7 7.5 551 571 A F S >< S- 0 0 11 -4,-1.5 3,-1.3 -5,-0.3 153,-0.2 -0.818 84.7-109.1-117.8 153.0 52.4 10.7 9.6 552 572 A L T 3 S+ 0 0 3 151,-1.7 153,-0.1 -2,-0.3 -69,-0.1 0.620 104.5 55.4 -49.0 -42.7 55.3 8.3 9.3 553 573 A W T > S+ 0 0 1 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.522 82.6 178.1 -78.6 -3.1 53.9 4.8 8.3 554 574 A G G X + 0 0 15 -3,-1.3 3,-1.1 -6,-0.3 4,-0.3 -0.120 62.0 6.6 49.3-119.7 52.2 6.4 5.3 555 575 A R G 3 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.661 133.9 54.6 -64.9 -20.0 50.3 4.1 2.9 556 576 A Y G <> S+ 0 0 49 -3,-1.8 4,-2.3 1,-0.1 -1,-0.2 0.537 78.3 99.8 -97.4 -8.3 50.9 1.3 5.3 557 577 A S H <> S+ 0 0 0 -3,-1.1 4,-1.5 1,-0.2 3,-0.4 0.910 88.2 35.4 -41.6 -65.7 49.5 2.9 8.4 558 578 A L H > S+ 0 0 6 -4,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.804 112.6 58.0 -74.3 -24.1 46.0 1.3 8.5 559 579 A E H > S+ 0 0 39 -4,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.894 107.0 52.3 -66.3 -35.1 47.3 -2.0 7.2 560 580 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 -3,-0.4 -2,-0.2 0.851 100.5 59.4 -70.3 -35.5 49.5 -1.9 10.3 561 581 A S H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.897 101.6 56.7 -53.2 -43.4 46.5 -1.2 12.7 562 582 A A H X S+ 0 0 0 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.939 110.9 41.7 -57.8 -47.6 45.0 -4.5 11.5 563 583 A V H < S+ 0 0 37 -4,-1.2 3,-0.4 2,-0.2 4,-0.3 0.843 114.5 49.9 -69.5 -35.7 48.2 -6.5 12.5 564 584 A I H >< S+ 0 0 22 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.860 106.9 58.4 -66.7 -31.4 48.6 -4.6 15.8 565 585 A Y H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.716 86.8 74.4 -69.3 -22.0 44.9 -5.4 16.3 566 586 A K T 3< S+ 0 0 108 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.741 105.3 39.9 -60.5 -18.3 45.8 -9.1 16.1 567 587 A D T < S+ 0 0 122 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.3 0.310 86.5 120.1-108.6 -1.1 47.1 -8.4 19.5 568 588 A W < - 0 0 7 -3,-1.5 2,-0.4 -4,-0.1 -3,-0.0 -0.572 41.2-171.6 -70.7 125.0 44.3 -6.1 20.8 569 589 A V - 0 0 23 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.983 18.1-151.6-117.9 129.3 42.7 -7.7 23.9 570 590 A F S > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 4,-0.5 0.912 94.5 60.4 -67.7 -41.1 39.5 -6.0 25.2 571 591 A T G > S+ 0 0 31 1,-0.3 3,-1.7 2,-0.2 6,-0.2 0.920 100.1 56.8 -50.7 -51.9 40.1 -7.1 28.8 572 592 A D G 3 S+ 0 0 42 1,-0.3 -1,-0.3 5,-0.2 -2,-0.1 0.206 89.9 72.7 -67.3 11.1 43.5 -5.2 28.9 573 593 A Q G < S+ 0 0 26 -3,-1.7 -1,-0.3 -2,-0.2 -2,-0.2 0.719 70.9 98.3 -97.5 -24.6 41.9 -1.9 28.0 574 594 A A S <> S- 0 0 0 -3,-1.7 4,-2.2 -4,-0.5 3,-0.2 -0.430 89.1-121.0 -56.2 126.8 40.4 -1.6 31.4 575 595 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.799 107.6 50.6 -60.3 -36.0 42.9 0.6 33.2 576 596 A P H > S+ 0 0 28 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.962 113.6 47.4 -52.0 -51.5 43.9 -1.7 36.0 577 597 A N H > S+ 0 0 41 -3,-0.2 4,-2.0 -6,-0.2 -2,-0.2 0.914 110.9 52.1 -58.3 -46.2 44.6 -4.5 33.5 578 598 A D H >X S+ 0 0 26 -4,-2.2 4,-2.4 2,-0.2 3,-0.5 0.944 112.6 42.5 -51.5 -63.9 46.5 -2.1 31.3 579 599 A L H 3X>S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.3 5,-1.1 0.931 114.9 51.1 -51.5 -51.0 48.9 -0.8 34.1 580 600 A V H 3<5S+ 0 0 53 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.841 111.3 48.6 -60.6 -32.5 49.3 -4.3 35.4 581 601 A K H <<5S+ 0 0 109 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.904 112.9 45.2 -76.3 -40.9 50.2 -5.7 31.8 582 602 A R H <5S- 0 0 21 -4,-2.4 -228,-2.7 -5,-0.1 -2,-0.2 0.707 111.0-124.3 -73.0 -20.6 52.8 -2.9 31.0 583 603 A G T <5S+ 0 0 13 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.579 77.5 122.8 88.2 10.9 54.3 -3.4 34.4 584 604 A V S - 0 0 37 -2,-0.8 3,-1.7 6,-0.6 6,-0.4 -0.938 20.8-167.8-128.9 100.0 48.2 -4.4 45.7 589 609 A P T 3 S+ 0 0 114 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.646 90.8 62.9 -72.3 -14.2 44.8 -4.7 47.5 590 610 A S T 3 S+ 0 0 117 4,-0.1 5,-0.1 -3,-0.0 -3,-0.0 0.770 95.1 85.5 -71.1 -29.7 46.3 -2.8 50.4 591 611 A A S X S- 0 0 17 -3,-1.7 3,-1.7 1,-0.1 5,-0.1 -0.396 96.2 -96.0 -86.4 156.8 46.7 0.1 47.8 592 612 A P T 3 S+ 0 0 116 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.611 116.8 17.1 -58.5 -33.6 44.0 2.7 46.8 593 613 A H T 3 S- 0 0 60 2,-0.6 3,-0.1 -5,-0.2 -2,-0.0 0.419 122.2 -88.7-112.5 2.2 42.4 1.3 43.8 594 614 A G S < S+ 0 0 22 -3,-1.7 -6,-0.6 -6,-0.4 2,-0.4 0.511 105.5 91.0 96.4 12.2 43.7 -2.1 44.4 595 615 A V E -P 587 0G 9 -8,-0.3 -2,-0.6 -6,-0.1 2,-0.5 -0.995 61.9-150.0-143.6 133.0 46.9 -1.3 42.4 596 616 A R E -P 586 0G 102 -10,-4.3 -10,-3.5 -2,-0.4 2,-0.5 -0.933 22.5-137.6-100.7 123.5 50.2 0.0 43.4 597 617 A L E -P 585 0G 20 -2,-0.5 -12,-0.3 -12,-0.3 -13,-0.1 -0.707 6.2-156.8 -78.1 119.8 51.9 2.1 40.6 598 618 A L S S+ 0 0 27 -14,-1.2 2,-1.2 -2,-0.5 -13,-0.2 0.909 96.2 52.1 -70.0 -35.5 55.7 1.4 40.2 599 619 A I S > S- 0 0 0 -15,-1.1 3,-0.9 1,-0.2 -1,-0.2 -0.821 86.1-169.2 -94.5 100.7 56.2 4.9 38.5 600 620 A E T 3 S+ 0 0 140 -2,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.751 75.0 47.8 -71.7 -25.6 54.4 6.5 41.4 601 621 A D T 3 S+ 0 0 17 -166,-0.3 -1,-0.3 -3,-0.1 3,-0.1 -0.326 71.4 141.8-106.5 48.6 54.0 10.1 40.0 602 622 A Y <> - 0 0 0 -3,-0.9 4,-2.1 1,-0.2 3,-0.2 -0.739 36.3-163.8 -87.6 91.6 52.6 8.7 36.7 603 623 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.3 0.690 81.9 51.0 -54.5 -33.8 49.9 11.5 36.1 604 624 A Y H > S+ 0 0 2 -260,-1.0 4,-1.9 2,-0.2 -259,-0.1 0.971 117.8 37.9 -70.6 -55.6 47.8 9.6 33.5 605 625 A A H > S+ 0 0 0 -3,-0.2 4,-1.9 -261,-0.2 -1,-0.2 0.711 116.4 53.7 -69.0 -22.4 47.5 6.4 35.6 606 626 A S H X S+ 0 0 26 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.973 119.5 30.8 -77.7 -55.3 47.2 8.3 38.9 607 627 A D H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.784 118.4 61.6 -66.6 -29.6 44.2 10.6 37.7 608 628 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 3,-0.4 0.961 100.1 49.5 -63.3 -57.1 43.1 7.7 35.5 609 629 A L H X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.900 108.5 55.7 -51.0 -41.9 42.6 5.2 38.3 610 630 A E H X S+ 0 0 33 -4,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.882 113.9 39.8 -56.9 -41.7 40.5 8.0 40.1 611 631 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.4 -1,-0.2 0.807 110.3 60.6 -80.1 -30.1 38.2 8.2 36.9 612 632 A W H X S+ 0 0 4 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.927 108.6 40.7 -63.2 -49.8 38.2 4.5 36.3 613 633 A D H X S+ 0 0 55 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.830 109.6 60.3 -71.9 -26.9 36.6 3.6 39.6 614 634 A A H X S+ 0 0 2 -4,-1.0 4,-1.1 -5,-0.3 -2,-0.2 0.914 113.3 38.6 -64.4 -38.0 34.2 6.5 39.3 615 635 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.3 0.992 116.5 51.2 -72.0 -57.5 32.9 4.9 36.0 616 636 A K H X S+ 0 0 48 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.769 107.1 51.9 -56.9 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18.1 -4.3 37.0 627 647 A Y < + 0 0 1 -4,-1.5 -1,-0.2 1,-0.1 3,-0.1 -0.928 45.0 172.9-136.8 108.4 19.6 -7.6 37.7 628 648 A K S S+ 0 0 176 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.1 0.403 75.6 27.9 -87.6 0.3 19.2 -9.1 41.1 629 649 A S >> - 0 0 32 1,-0.1 4,-0.9 -3,-0.1 3,-0.5 -0.996 65.4-131.1-163.8 151.8 20.8 -12.3 39.8 630 650 A D H 3> S+ 0 0 42 -2,-0.3 4,-1.7 1,-0.2 3,-0.4 0.866 111.1 60.0 -69.7 -38.3 23.2 -13.8 37.3 631 651 A E H 34 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.544 106.9 45.4 -70.0 -9.1 20.6 -16.3 36.4 632 652 A E H <4 S+ 0 0 66 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.608 107.1 56.4-104.7 -16.1 18.2 -13.5 35.3 633 653 A L H >< S+ 0 0 0 -4,-0.9 3,-0.6 -3,-0.4 -2,-0.2 0.736 110.4 47.8 -73.3 -32.9 21.0 -11.7 33.4 634 654 A Q T 3< S+ 0 0 65 -4,-1.7 -2,-0.2 30,-0.2 -1,-0.2 0.785 103.4 63.2 -70.8 -35.0 21.3 -15.0 31.6 635 655 A K T 3 S+ 0 0 144 -5,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.425 80.9 99.0 -71.0 0.8 17.5 -14.9 31.2 636 656 A D <> - 0 0 3 -3,-0.6 4,-2.0 1,-0.2 5,-0.2 -0.817 53.3-169.3 -98.7 112.1 17.6 -11.8 29.1 637 657 A P H > S+ 0 0 85 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.820 84.4 50.2 -69.2 -34.7 17.4 -12.6 25.3 638 658 A E H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.917 112.0 46.7 -69.4 -42.9 18.3 -9.1 24.0 639 659 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.922 112.3 49.4 -68.2 -44.7 21.5 -8.8 26.2 640 660 A Q H X S+ 0 0 55 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.752 113.3 47.7 -69.0 -22.4 22.7 -12.2 25.3 641 661 A A H X S+ 0 0 29 -4,-0.9 4,-1.8 -130,-0.2 -2,-0.2 0.758 108.8 56.5 -85.9 -25.7 22.1 -11.4 21.6 642 662 A W H X S+ 0 0 0 -4,-1.8 4,-2.0 -131,-0.2 -2,-0.2 0.959 113.4 37.0 -64.2 -54.3 23.9 -8.1 22.1 643 663 A W H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.873 114.3 58.6 -71.7 -29.5 27.1 -9.7 23.4 644 664 A K H X S+ 0 0 128 -4,-1.2 4,-1.1 -5,-0.3 -1,-0.2 0.903 112.7 36.4 -65.8 -43.9 26.7 -12.6 20.9 645 665 A E H X>S+ 0 0 23 -4,-1.8 4,-3.0 3,-0.2 5,-2.1 0.861 114.6 59.2 -77.3 -31.4 26.7 -10.5 17.8 646 666 A L H <>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 -2,-0.2 0.959 114.6 32.9 -58.8 -54.8 29.3 -8.1 19.3 647 667 A V H <5S+ 0 0 16 -4,-2.4 7,-0.3 3,-0.2 -1,-0.2 0.732 126.2 43.9 -75.4 -20.3 31.9 -10.7 19.9 648 668 A E H <5S+ 0 0 84 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.2 0.770 134.4 5.0 -99.7 -27.9 31.0 -12.8 16.9 649 669 A V T ><5S+ 0 0 65 -4,-3.0 3,-1.7 -5,-0.1 4,-0.2 0.702 126.7 54.8-116.4 -53.4 30.5 -10.3 14.1 650 670 A G T 3 S- 0 0 43 -32,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.968 74.3-134.8-142.7 143.2 27.5 -13.0 35.0 666 686 A R H > S+ 0 0 80 -2,-0.4 4,-1.7 2,-0.2 -1,-0.1 0.771 113.1 49.3 -63.1 -33.1 26.6 -9.6 36.5 667 687 A E H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.801 107.4 55.8 -78.9 -26.4 30.3 -8.8 37.1 668 688 A E H > S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.950 109.7 46.7 -64.6 -44.0 31.0 -9.8 33.5 669 689 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 111.6 52.3 -63.3 -38.0 28.3 -7.3 32.5 670 690 A V H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.876 113.5 40.0 -70.5 -39.3 29.9 -4.7 34.8 671 691 A E H X S+ 0 0 33 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.907 114.3 53.4 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35.2 8.7 27.6 682 702 A A H X5S+ 0 0 0 -4,-0.7 4,-2.4 -5,-0.4 -3,-0.2 0.834 121.8 49.3 -83.1 -39.3 38.4 8.9 29.5 683 703 A L H >< S+ 0 0 0 -4,-1.8 3,-1.0 -5,-0.3 4,-0.3 0.809 101.7 57.6-107.7 -35.5 43.0 13.2 22.1 689 709 A F T 3< S+ 0 0 0 -4,-2.7 -3,-0.1 1,-0.3 136,-0.1 0.607 104.0 56.0 -82.8 -1.9 42.6 16.5 24.0 690 710 A G T 3 S+ 0 0 0 -5,-0.3 4,-0.4 -4,-0.3 5,-0.3 -0.303 78.6 99.8-115.0 34.9 46.3 17.0 24.4 691 711 A Q S <> S+ 0 0 3 -3,-1.0 4,-1.7 54,-0.2 -2,-0.1 0.886 90.5 31.9 -90.5 -59.4 47.1 16.7 20.6 692 712 A Y H > S+ 0 0 3 53,-0.6 4,-0.7 -4,-0.3 -2,-0.1 0.832 118.2 56.2 -70.8 -28.8 47.4 20.4 19.8 693 713 A P H 4 S+ 0 0 5 0, 0.0 -368,-1.9 0, 0.0 -1,-0.2 0.919 126.2 19.4 -64.1 -40.4 48.8 21.4 23.3 694 714 A Y H 4 S+ 0 0 0 -4,-0.4 3,-0.4 -370,-0.1 -3,-0.2 0.917 135.7 34.2 -90.4 -56.8 51.7 18.9 23.0 695 715 A G H < S+ 0 0 4 -4,-1.7 -3,-0.2 -5,-0.3 50,-0.1 0.203 85.5 99.4 -91.4 14.5 52.1 18.2 19.2 696 716 A G S < S+ 0 0 0 -4,-0.7 2,-0.4 1,-0.1 -1,-0.2 0.230 80.9 59.7 -82.5 10.4 51.1 21.6 18.0 697 717 A L S > S- 0 0 1 -3,-0.4 4,-3.2 -375,-0.1 3,-0.4 -0.945 75.7-155.2-141.5 109.5 54.8 22.2 17.6 698 718 A I T 4 S+ 0 0 0 -2,-0.4 35,-0.2 2,-0.2 -2,-0.1 0.691 93.8 65.0 -61.4 -21.8 56.4 19.8 15.2 699 719 A L T 4 S+ 0 0 8 2,-0.2 -1,-0.2 1,-0.1 -4,-0.1 0.946 110.8 36.7 -63.5 -49.3 59.7 20.4 17.0 700 720 A N T 4 S+ 0 0 10 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.913 135.7 22.1 -74.0 -43.2 58.2 18.8 20.1 701 721 A R S < S- 0 0 19 -4,-3.2 2,-0.3 -7,-0.1 -1,-0.2 -0.677 77.0-172.8-131.1 83.5 56.1 16.2 18.2 702 722 A P - 0 0 0 0, 0.0 -217,-0.4 0, 0.0 3,-0.1 -0.580 8.9-170.1 -76.9 139.8 57.5 15.4 14.7 703 723 A T + 0 0 2 -2,-0.3 -151,-1.7 1,-0.2 2,-0.3 0.729 66.9 31.6-101.0 -35.9 55.4 13.2 12.5 704 724 A I - 0 0 17 -153,-0.2 29,-0.7 -152,-0.1 2,-0.4 -0.970 59.2-154.0-128.5 146.0 57.7 12.4 9.5 705 725 A S B +Q 732 0H 2 -2,-0.3 -284,-1.5 27,-0.2 27,-0.3 -0.988 12.0 178.3-119.2 122.9 61.6 12.0 9.2 706 726 A R + 0 0 62 25,-4.0 2,-0.3 -2,-0.4 25,-0.2 0.683 65.0 37.0 -98.4 -27.1 63.0 12.7 5.7 707 727 A R S S- 0 0 50 24,-0.5 2,-0.1 -286,-0.2 -286,-0.1 -0.856 76.8-125.7-120.4 160.6 66.8 12.3 6.2 708 728 A F - 0 0 53 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.214 49.7 -59.2 -89.7-170.9 68.7 9.8 8.3 709 729 A M - 0 0 9 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.547 48.0-116.5 -76.7 132.1 71.3 10.6 11.0 710 730 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.524 35.3-157.3 -53.7 126.4 74.6 12.5 10.2 711 731 A E - 0 0 101 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.985 45.1 -30.3 -86.4 -78.7 77.5 10.1 10.8 712 732 A K S S- 0 0 181 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.774 117.9 -25.9-155.5 96.1 81.1 11.2 11.6 713 733 A G S S+ 0 0 52 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.882 93.5 160.6 62.3 36.1 82.5 14.4 10.2 714 734 A S > - 0 0 14 1,-0.1 4,-3.0 0, 0.0 5,-0.2 -0.397 57.4-114.5 -77.0 157.3 80.0 14.0 7.3 715 735 A P H > S+ 0 0 102 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.736 127.5 48.1 -61.2 -23.3 79.0 17.1 5.1 716 736 A E H >> S+ 0 0 92 2,-0.2 4,-2.3 3,-0.1 3,-0.6 0.940 112.1 48.4 -74.5 -55.1 75.7 16.5 6.7 717 737 A Y H 3> S+ 0 0 30 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