==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 08-MAR-01 1I7D . COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.CHANGELA,R.J.DIGATE,A.MONDRAGON . 620 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 12.7 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 56 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 1 0 0 2 3 1 2 1 3 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 5 2 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 1 0 0 0 1 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 1 A M 0 0 47 0, 0.0 95,-3.8 0, 0.0 96,-1.7 0.000 360.0 360.0 360.0 162.7 103.6 18.6 45.9 2 2 A R E -ab 36 97A 49 33,-3.3 35,-2.9 94,-0.2 2,-0.5 -0.896 360.0-158.6-105.5 121.4 100.8 19.0 43.3 3 3 A L E -ab 37 98A 0 94,-2.8 96,-3.0 -2,-0.6 2,-0.5 -0.855 5.1-159.9-105.0 127.0 97.3 19.4 44.6 4 4 A F E -ab 38 99A 0 33,-3.2 35,-3.2 -2,-0.5 2,-0.7 -0.901 6.6-159.5-102.4 127.4 94.1 18.7 42.6 5 5 A I E -ab 39 100A 0 94,-2.7 96,-2.4 -2,-0.5 35,-0.2 -0.896 12.8-169.7-111.9 103.5 91.0 20.2 43.9 6 6 A A E -ab 40 101A 0 33,-2.4 35,-2.4 -2,-0.7 96,-0.3 -0.439 29.2-125.8 -86.6 162.9 87.9 18.5 42.6 7 7 A E S S+ 0 0 29 94,-1.0 36,-1.8 33,-0.2 95,-0.1 0.794 90.2 5.5 -78.3 -28.7 84.3 19.7 43.0 8 8 A K S > S- 0 0 28 34,-0.2 4,-2.0 31,-0.1 3,-0.3 -0.974 78.1-102.9-152.0 160.3 83.1 16.4 44.5 9 9 A P H > S+ 0 0 39 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.896 115.0 59.7 -51.4 -49.0 84.5 13.1 45.8 10 10 A S H > S+ 0 0 19 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.921 109.8 41.7 -47.5 -53.2 83.3 11.2 42.7 11 11 A L H > S+ 0 0 4 -3,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.876 110.4 58.7 -65.2 -36.5 85.4 13.3 40.4 12 12 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-0.2 0.907 106.4 47.4 -60.1 -42.6 88.3 13.2 42.9 13 13 A R H X S+ 0 0 107 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.849 107.2 56.5 -67.4 -34.9 88.5 9.4 42.7 14 14 A A H < S+ 0 0 14 -4,-1.5 4,-0.4 -5,-0.3 -1,-0.2 0.805 112.1 43.8 -66.1 -29.2 88.4 9.5 38.9 15 15 A I H >X S+ 0 0 0 -4,-1.4 3,-1.5 -3,-0.2 4,-0.6 0.931 111.9 49.9 -79.0 -51.3 91.4 11.7 39.0 16 16 A A H >< S+ 0 0 4 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.861 101.4 67.8 -54.7 -37.6 93.4 9.8 41.6 17 17 A D T 3< S+ 0 0 111 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.773 104.9 39.9 -53.9 -33.2 92.7 6.6 39.6 18 18 A V T <4 S+ 0 0 36 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.432 99.3 95.6 -98.3 -1.6 94.9 7.8 36.7 19 19 A L S << S- 0 0 14 -3,-1.4 15,-0.1 -4,-0.6 14,-0.1 -0.454 91.9 -78.4 -84.0 162.9 97.5 9.2 39.0 20 20 A P - 0 0 61 0, 0.0 13,-3.0 0, 0.0 16,-0.1 -0.326 67.3 -81.9 -63.0 138.4 100.7 7.2 40.0 21 21 A K S S+ 0 0 168 11,-0.2 2,-0.1 2,-0.1 11,-0.1 -0.293 92.4 69.5 -75.0 166.1 100.2 4.5 42.7 22 22 A P - 0 0 102 0, 0.0 2,-0.6 0, 0.0 11,-0.5 0.614 62.1-160.2 -76.0 162.1 100.0 3.9 45.5 23 23 A H - 0 0 59 9,-0.2 2,-0.7 -2,-0.1 9,-0.2 -0.943 5.7-164.9-110.0 111.0 96.7 5.6 46.2 24 24 A R E -C 31 0A 137 7,-3.9 7,-3.0 -2,-0.6 2,-0.5 -0.864 12.7-142.1-104.0 111.4 96.3 6.3 49.9 25 25 A K E +C 30 0A 167 -2,-0.7 5,-0.2 5,-0.2 2,-0.2 -0.554 29.3 176.0 -70.5 116.7 92.8 7.1 51.0 26 26 A G E > -C 29 0A 20 3,-2.9 2,-1.3 -2,-0.5 3,-0.5 -0.507 45.9 -76.3-110.5-176.5 93.0 9.8 53.7 27 27 A D T 3 S- 0 0 141 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.695 119.5 -7.0 -86.3 93.3 90.3 11.7 55.5 28 28 A G T 3 S+ 0 0 5 -2,-1.3 12,-0.6 1,-0.3 2,-0.3 0.526 132.1 50.9 100.6 8.9 89.2 14.2 52.8 29 29 A F E < -CD 26 39A 20 -3,-0.5 -3,-2.9 10,-0.2 2,-0.4 -0.978 68.1-128.5-164.7 169.3 91.9 13.4 50.3 30 30 A I E -CD 25 38A 17 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.980 21.9-148.9-131.3 114.3 93.6 10.7 48.3 31 31 A E E -CD 24 37A 63 -7,-3.0 -7,-3.9 -2,-0.4 2,-0.2 -0.767 21.5-173.9 -87.5 120.8 97.4 10.8 48.4 32 32 A C E > - D 0 36A 6 4,-3.2 4,-0.9 -2,-0.6 3,-0.3 -0.677 29.6 -84.4-110.0 167.3 98.9 9.5 45.2 33 33 A G T 4 S+ 0 0 14 -13,-3.0 3,-0.3 -11,-0.5 -1,-0.1 -0.194 103.6 38.0 -68.6 161.2 102.5 8.7 44.2 34 34 A N T 4 S- 0 0 135 1,-0.2 -1,-0.2 -15,-0.1 -32,-0.2 0.840 132.6 -62.4 68.3 37.3 104.9 11.3 42.9 35 35 A G T 4 S+ 0 0 31 -3,-0.3 -33,-3.3 1,-0.2 2,-0.6 0.831 95.0 145.8 59.9 33.3 103.7 14.1 45.2 36 36 A Q E < -aD 2 32A 20 -4,-0.9 -4,-3.2 -3,-0.3 2,-0.4 -0.908 23.1-179.7-105.4 123.3 100.2 14.1 43.7 37 37 A V E -aD 3 31A 0 -35,-2.9 -33,-3.2 -2,-0.6 2,-0.5 -0.988 11.0-161.9-126.2 132.3 97.4 14.8 46.1 38 38 A V E +aD 4 30A 0 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.2 -0.952 20.3 158.7-115.1 122.0 93.7 14.9 45.2 39 39 A T E -aD 5 29A 0 -35,-3.2 -33,-2.4 -2,-0.5 2,-0.3 -0.580 16.5-157.4-125.1-169.7 91.2 16.6 47.5 40 40 A W E -a 6 0A 32 -12,-0.6 -33,-0.2 -35,-0.2 2,-0.1 -0.919 19.0-121.3-173.6 147.2 87.7 18.1 47.0 41 41 A C - 0 0 0 -35,-2.4 2,-0.6 -2,-0.3 3,-0.1 -0.441 28.4-129.2 -82.7 161.3 84.9 20.4 48.0 42 42 A I S S- 0 0 76 1,-0.2 2,-0.2 -34,-0.1 -34,-0.2 -0.561 72.4 -67.6-106.6 67.4 81.4 19.0 48.8 43 43 A G S S+ 0 0 27 -36,-1.8 -1,-0.2 -2,-0.6 2,-0.2 -0.630 118.3 3.1 79.1-147.1 79.7 21.4 46.5 44 44 A H - 0 0 53 -2,-0.2 68,-0.1 1,-0.2 3,-0.1 -0.491 60.1-174.1 -68.5 134.3 80.1 24.9 47.9 45 45 A L S S+ 0 0 1 66,-0.3 33,-3.6 -2,-0.2 2,-0.3 0.592 74.4 47.3 -98.4 -17.6 82.2 24.9 51.0 46 46 A L E S-G 77 0B 2 31,-0.3 2,-0.3 65,-0.1 69,-0.1 -0.862 70.4-161.5-121.0 155.5 81.4 28.6 51.5 47 47 A E E -G 76 0B 75 29,-3.0 29,-2.5 -2,-0.3 2,-0.1 -0.955 33.9 -90.3-137.7 156.0 78.2 30.6 51.4 48 48 A Q E -G 75 0B 47 -2,-0.3 27,-0.2 27,-0.2 2,-0.0 -0.414 54.3-112.8 -61.6 134.0 77.1 34.2 51.0 49 49 A A - 0 0 0 25,-2.2 25,-0.1 1,-0.1 -1,-0.1 -0.347 29.8-107.6 -70.1 154.1 76.9 35.7 54.4 50 50 A Q >> - 0 0 119 1,-0.1 3,-2.2 -3,-0.1 4,-0.5 -0.327 36.9 -98.6 -74.6 163.2 73.5 36.7 55.8 51 51 A P H >> S+ 0 0 4 0, 0.0 3,-1.6 0, 0.0 4,-1.2 0.847 121.4 63.1 -50.7 -39.5 72.6 40.4 56.1 52 52 A D H 34 S+ 0 0 63 1,-0.3 7,-0.1 6,-0.2 6,-0.1 0.625 89.1 69.5 -66.6 -9.6 73.5 40.4 59.8 53 53 A A H <4 S+ 0 0 28 -3,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.821 102.8 44.6 -74.4 -29.2 77.1 39.6 58.9 54 54 A Y H << S- 0 0 49 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.817 139.7 -3.1 -81.3 -35.6 77.4 43.1 57.5 55 55 A D >< - 0 0 54 -4,-1.2 3,-2.9 1,-0.0 -1,-0.3 -0.845 64.3-139.6-158.5 118.1 75.7 44.8 60.4 56 56 A S G > S+ 0 0 96 1,-0.3 3,-1.8 -2,-0.3 4,-0.2 0.777 100.9 71.1 -53.8 -25.7 74.2 42.9 63.3 57 57 A R G > S+ 0 0 188 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.726 81.9 73.3 -62.5 -21.9 71.2 45.3 63.2 58 58 A Y G < S+ 0 0 53 -3,-2.9 -1,-0.3 1,-0.3 -6,-0.2 0.616 72.6 81.0 -70.3 -10.7 70.2 43.6 60.0 59 59 A A G < S+ 0 0 63 -3,-1.8 2,-0.7 -4,-0.2 -1,-0.3 0.784 81.6 79.2 -62.5 -24.2 69.0 40.6 61.9 60 60 A R S < S- 0 0 179 -3,-1.5 2,-0.6 -4,-0.2 -1,-0.1 -0.764 87.4-137.2 -85.8 113.1 66.0 42.8 62.5 61 61 A W + 0 0 95 -2,-0.7 2,-0.3 4,-0.0 -2,-0.1 -0.620 42.5 147.1 -75.5 117.9 63.8 42.7 59.3 62 62 A N - 0 0 39 -2,-0.6 4,-0.4 -4,-0.1 3,-0.2 -0.979 54.0-127.5-148.0 158.5 62.6 46.2 58.5 63 63 A L S > S+ 0 0 43 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.816 101.3 67.8 -74.5 -33.2 61.7 48.3 55.5 64 64 A A T 3 S+ 0 0 86 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.802 98.5 49.3 -59.1 -34.6 64.0 51.2 56.4 65 65 A D T 3 S+ 0 0 56 -3,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.656 92.5 146.8 -81.6 -14.3 67.2 49.3 55.9 66 66 A L < + 0 0 8 -3,-1.0 2,-0.1 -4,-0.4 -3,-0.0 -0.486 47.3 38.9 -79.9 142.8 66.2 48.0 52.5 67 67 A P S S- 0 0 17 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.492 75.4-158.7 -84.7 146.3 67.8 47.4 50.1 68 68 A I + 0 0 3 103,-0.2 107,-0.2 -2,-0.1 -2,-0.1 -0.788 17.4 178.6 -86.1 114.6 70.7 45.9 52.0 69 69 A V - 0 0 46 -2,-0.8 -1,-0.0 106,-0.0 102,-0.0 -0.902 22.2-136.5-125.1 104.9 73.6 46.2 49.5 70 70 A P - 0 0 13 0, 0.0 3,-0.2 0, 0.0 101,-0.0 -0.268 12.1-166.8 -58.7 135.3 77.0 45.0 50.6 71 71 A E S S+ 0 0 197 1,-0.3 2,-0.5 0, 0.0 0, 0.0 0.854 90.5 24.6 -84.2 -46.5 80.0 47.2 49.7 72 72 A K S S- 0 0 174 -18,-0.0 -1,-0.3 2,-0.0 0, 0.0 -0.921 91.8-137.2-123.5 104.8 82.4 44.4 50.6 73 73 A W - 0 0 40 -2,-0.5 2,-0.4 -3,-0.2 -25,-0.0 -0.218 14.9-153.9 -61.3 145.2 80.9 41.0 50.3 74 74 A Q - 0 0 80 -25,-0.1 -25,-2.2 -24,-0.1 2,-0.3 -0.934 3.0-157.2-122.5 144.9 81.6 38.3 52.9 75 75 A L E -G 48 0B 46 -2,-0.4 -27,-0.2 -27,-0.2 -29,-0.0 -0.824 7.5-158.7-114.8 158.3 81.5 34.6 52.6 76 76 A Q E -G 47 0B 65 -29,-2.5 -29,-3.0 -2,-0.3 -2,-0.0 -0.998 26.8-103.4-137.8 140.6 81.0 32.1 55.4 77 77 A P E -G 46 0B 41 0, 0.0 -31,-0.3 0, 0.0 5,-0.1 -0.352 37.5-112.2 -63.4 142.1 82.0 28.5 55.7 78 78 A R > - 0 0 66 -33,-3.6 3,-2.3 1,-0.2 4,-0.2 -0.648 29.1-138.9 -71.6 115.3 79.1 26.1 55.3 79 79 A P G > S+ 0 0 96 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.812 95.9 59.3 -46.5 -40.7 78.9 24.7 58.9 80 80 A S G 3 S+ 0 0 92 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.633 114.7 35.1 -69.6 -11.5 78.3 21.1 57.8 81 81 A V G <> S+ 0 0 11 -3,-2.3 4,-1.5 -36,-0.2 3,-0.5 0.122 72.3 118.1-131.8 27.3 81.5 20.9 55.8 82 82 A T H <> S+ 0 0 54 -3,-1.1 4,-1.9 1,-0.2 5,-0.2 0.823 74.1 62.9 -63.0 -30.9 84.1 23.0 57.7 83 83 A K H > S+ 0 0 171 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.912 104.2 46.6 -60.9 -41.9 86.3 19.9 58.2 84 84 A Q H > S+ 0 0 17 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.874 108.4 56.1 -68.1 -35.2 86.8 19.5 54.4 85 85 A L H X S+ 0 0 9 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.857 108.1 48.8 -63.3 -34.7 87.5 23.2 54.2 86 86 A N H X S+ 0 0 64 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.796 105.9 56.8 -74.2 -31.1 90.3 22.7 56.7 87 87 A V H X S+ 0 0 9 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.911 109.5 45.3 -66.0 -40.7 91.6 19.7 54.8 88 88 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.867 109.4 57.8 -69.1 -35.8 92.0 21.9 51.7 89 89 A K H X S+ 0 0 85 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.905 105.6 47.8 -61.9 -43.8 93.6 24.6 53.8 90 90 A R H X S+ 0 0 115 -4,-2.1 4,-1.3 1,-0.2 3,-0.2 0.913 113.7 46.7 -66.4 -41.1 96.4 22.4 55.1 91 91 A F H X S+ 0 0 7 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.784 102.8 63.6 -72.0 -26.8 97.3 21.1 51.6 92 92 A L H < S+ 0 0 1 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.887 107.2 43.0 -63.6 -39.5 97.2 24.6 50.0 93 93 A H H < S+ 0 0 135 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.847 118.2 46.0 -72.9 -35.6 100.2 25.6 52.2 94 94 A E H < S+ 0 0 106 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.716 97.5 95.4 -79.0 -23.6 101.9 22.3 51.6 95 95 A A < - 0 0 4 -4,-2.2 -93,-0.2 1,-0.1 3,-0.1 -0.353 47.6-174.0 -74.5 150.1 101.2 22.4 47.8 96 96 A S S S+ 0 0 77 -95,-3.8 2,-0.4 1,-0.4 -94,-0.2 0.602 80.3 28.4-111.3 -25.9 103.7 23.7 45.3 97 97 A E E S-b 2 0A 96 -96,-1.7 -94,-2.8 2,-0.0 2,-0.4 -0.997 72.1-156.1-138.3 138.2 101.3 23.5 42.3 98 98 A I E -b 3 0A 3 -2,-0.4 32,-3.0 27,-0.2 2,-0.5 -0.960 3.0-163.0-123.1 134.4 97.5 23.8 42.3 99 99 A V E -be 4 130A 0 -96,-3.0 -94,-2.7 -2,-0.4 2,-0.8 -0.963 13.9-144.4-118.6 119.6 95.1 22.4 39.8 100 100 A H E +be 5 131A 0 30,-4.8 32,-2.8 -2,-0.5 -94,-0.1 -0.727 25.4 171.2 -81.0 110.3 91.5 23.7 39.8 101 101 A A E +b 6 0A 1 -96,-2.4 -94,-1.0 -2,-0.8 -1,-0.1 -0.200 20.1 139.4-117.4 41.7 89.3 20.7 38.9 102 102 A G - 0 0 1 -96,-0.3 32,-0.4 1,-0.2 6,-0.1 -0.397 69.7 -71.2 -77.0 163.1 85.8 22.0 39.5 103 103 A D - 0 0 7 1,-0.2 2,-2.3 30,-0.1 -1,-0.2 -0.163 55.7-101.7 -51.6 149.9 83.2 20.9 36.9 104 104 A P S S+ 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.261 91.6 80.9 -74.3 53.7 83.6 22.6 33.5 105 105 A D S > S- 0 0 50 -2,-2.3 4,-1.8 275,-0.1 5,-0.1 -0.827 94.7 -82.8-143.6-176.4 80.9 25.2 34.0 106 106 A R H > S+ 0 0 61 -2,-0.2 4,-1.8 1,-0.2 56,-0.1 0.933 124.3 40.5 -57.3 -54.3 80.1 28.6 35.7 107 107 A E H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.859 112.9 54.8 -66.4 -37.9 79.3 27.2 39.2 108 108 A G H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.865 107.0 52.6 -64.0 -35.6 82.2 24.7 39.1 109 109 A Q H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.952 114.0 41.0 -63.1 -50.7 84.6 27.5 38.3 110 110 A L H X S+ 0 0 5 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.851 103.7 67.1 -66.6 -40.0 83.4 29.6 41.3 111 111 A L H X S+ 0 0 4 -4,-2.7 4,-0.7 1,-0.2 -66,-0.3 0.903 113.4 29.8 -49.8 -50.0 83.2 26.8 43.8 112 112 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.2 3,-0.4 0.901 117.4 56.4 -80.6 -42.0 86.9 26.2 43.8 113 113 A D H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.894 105.1 53.0 -56.7 -41.7 88.1 29.8 43.0 114 114 A E H X S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.849 107.6 51.7 -64.7 -33.4 86.2 31.1 46.1 115 115 A V H X S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.4 -1,-0.2 0.916 109.2 49.7 -68.7 -41.3 87.9 28.6 48.3 116 116 A L H <>S+ 0 0 4 -4,-2.1 5,-1.9 1,-0.2 -2,-0.2 0.881 115.6 43.6 -64.2 -37.6 91.3 29.7 47.0 117 117 A D H ><5S+ 0 0 92 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.907 113.7 50.2 -72.6 -43.8 90.5 33.3 47.6 118 118 A Y H 3<5S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.902 109.0 50.9 -61.5 -44.2 88.9 32.7 51.0 119 119 A L T 3<5S- 0 0 20 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.225 114.7-118.8 -80.0 14.7 91.9 30.7 52.3 120 120 A Q T < 5 - 0 0 156 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.938 31.6-152.1 47.2 66.7 94.2 33.5 51.2 121 121 A L < - 0 0 14 -5,-1.9 -1,-0.2 1,-0.1 5,-0.1 -0.519 28.4 -97.4 -71.2 130.2 96.2 31.6 48.6 122 122 A A > - 0 0 35 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.113 31.4-116.6 -45.8 137.1 99.7 33.1 48.3 123 123 A P H > S+ 0 0 87 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.835 114.6 52.9 -45.5 -41.0 100.0 35.5 45.3 124 124 A E H > S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.981 109.9 44.5 -60.8 -60.7 102.5 33.2 43.7 125 125 A K H >4 S+ 0 0 31 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.931 111.6 54.4 -48.8 -55.0 100.4 30.0 43.9 126 126 A R H >< S+ 0 0 102 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.848 105.4 52.9 -50.0 -42.0 97.3 31.8 42.7 127 127 A Q H 3< S+ 0 0 116 -4,-1.7 -1,-0.3 -3,-0.4 26,-0.2 0.817 113.4 43.9 -66.1 -30.7 99.1 33.1 39.6 128 128 A Q T << S+ 0 0 142 -4,-1.4 -1,-0.2 -3,-1.0 -30,-0.2 0.312 80.8 133.0 -98.6 8.0 100.2 29.5 38.7 129 129 A V < - 0 0 1 -3,-1.0 23,-2.6 -4,-0.5 24,-0.4 -0.350 43.9-148.8 -61.7 135.2 96.9 27.8 39.4 130 130 A Q E -eF 99 151A 59 -32,-3.0 -30,-4.8 21,-0.2 2,-0.5 -0.747 3.3-135.4-107.3 156.5 95.9 25.4 36.6 131 131 A R E -eF 100 150A 1 19,-3.5 19,-2.4 -2,-0.3 2,-0.5 -0.936 11.8-166.5-114.0 131.1 92.5 24.4 35.3 132 132 A C - 0 0 1 -32,-2.8 2,-0.7 -2,-0.5 14,-0.1 -0.959 10.1-156.5-117.7 111.3 91.6 20.8 34.5 133 133 A L + 0 0 62 -2,-0.5 2,-0.4 12,-0.3 -30,-0.1 -0.797 17.7 172.5 -95.8 114.2 88.3 20.4 32.5 134 134 A I + 0 0 11 -2,-0.7 3,-0.1 -32,-0.4 8,-0.1 -0.974 21.9 154.6-125.9 126.5 86.6 17.1 32.9 135 135 A N S S+ 0 0 62 -2,-0.4 2,-0.4 1,-0.2 247,-0.1 0.253 71.9 56.7-127.2 6.4 83.2 16.1 31.5 136 136 A D - 0 0 7 2,-0.1 -1,-0.2 245,-0.1 6,-0.0 -0.953 62.0-158.0-143.8 119.1 83.8 12.3 31.3 137 137 A L + 0 0 79 -2,-0.4 -1,-0.1 4,-0.1 5,-0.0 0.551 55.5 120.4 -74.5 -9.1 84.9 10.1 34.2 138 138 A N S >> S- 0 0 48 1,-0.1 4,-2.6 4,-0.1 3,-0.6 -0.324 74.6-120.8 -57.5 136.8 86.4 7.4 32.0 139 139 A P H 3> S+ 0 0 60 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.829 112.5 53.6 -47.3 -40.5 90.1 6.9 32.7 140 140 A Q H 3> S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.902 111.1 45.2 -65.0 -42.2 91.0 7.8 29.1 141 141 A A H <> S+ 0 0 23 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.915 113.7 49.5 -68.0 -43.4 89.1 11.1 29.2 142 142 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.927 111.5 47.7 -62.4 -46.1 90.5 12.0 32.6 143 143 A E H X S+ 0 0 116 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.899 110.8 52.8 -62.0 -39.7 94.1 11.3 31.6 144 144 A R H < S+ 0 0 138 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.858 110.6 48.3 -63.6 -35.1 93.5 13.3 28.4 145 145 A A H >< S+ 0 0 13 -4,-1.8 3,-1.2 1,-0.2 -12,-0.3 0.906 109.3 49.9 -72.7 -43.1 92.2 16.2 30.6 146 146 A I H >< S+ 0 0 24 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.720 108.6 56.2 -67.7 -19.3 95.1 16.2 33.0 147 147 A D T 3< S+ 0 0 129 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.605 107.3 49.9 -86.4 -12.8 97.4 16.2 30.0 148 148 A R T < S+ 0 0 145 -3,-1.2 -15,-0.3 -4,-0.3 -1,-0.2 -0.292 76.0 165.8-121.5 47.9 95.7 19.4 28.7 149 149 A L < - 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M 0 274C 6 -199,-3.2 -199,-3.3 -2,-0.5 2,-0.4 -0.376 29.9-111.8-101.0-176.0 32.9 6.2 -3.7 474 474 A L E -HM 229 273C 62 -245,-2.2 -245,-1.4 -201,-0.3 2,-1.3 -0.976 4.3-140.2-129.7 135.3 29.6 6.8 -1.9 475 475 A C E +H 228 0C 0 -203,-1.8 -247,-0.2 -2,-0.4 3,-0.1 -0.732 25.2 179.5 -89.9 91.0 28.6 8.9 1.1 476 476 A E E - 0 0 84 -2,-1.3 2,-0.3 -249,-1.3 -1,-0.2 0.960 62.4 -4.5 -55.8 -60.4 26.1 6.6 2.7 477 477 A K E -H 227 0C 111 -250,-0.8 -250,-3.0 -206,-0.1 2,-0.3 -0.962 59.8-151.3-139.4 155.8 25.3 8.8 5.7 478 478 A G E -H 226 0C 5 -2,-0.3 2,-0.3 -252,-0.2 -252,-0.2 -0.848 13.6-172.7-122.3 160.0 26.3 12.1 7.2 479 479 A E E -H 225 0C 59 -254,-1.3 -254,-2.3 -2,-0.3 2,-0.7 -0.978 25.9-122.7-157.6 142.6 26.3 13.3 10.8 480 480 A V E -H 224 0C 27 -2,-0.3 2,-0.9 -256,-0.2 -256,-0.2 -0.758 22.8-153.3 -87.8 113.8 26.8 16.5 12.8 481 481 A V E -H 223 0C 33 -258,-3.2 -258,-2.1 -2,-0.7 2,-0.7 -0.791 11.6-158.8 -89.1 108.2 29.5 15.9 15.4 482 482 A E E +H 222 0C 127 -2,-0.9 -260,-0.2 -260,-0.2 2,-0.2 -0.810 21.3 164.7 -93.2 115.8 28.7 18.4 18.2 483 483 A R E -H 221 0C 118 -262,-3.0 -262,-2.4 -2,-0.7 2,-0.3 -0.650 24.6-138.0-121.0 178.7 31.7 19.1 20.4 484 484 A Q E -H 220 0C 89 -264,-0.2 -264,-0.2 -2,-0.2 -266,-0.1 -0.999 25.3-105.2-144.7 138.8 32.7 21.8 23.0 485 485 A T - 0 0 17 -266,-2.3 -266,-0.0 -2,-0.3 -264,-0.0 -0.300 37.5-136.9 -60.3 142.9 35.9 23.7 23.7 486 486 A Q - 0 0 144 -268,-0.1 3,-0.1 1,-0.0 -269,-0.1 -0.814 13.4-114.2-107.9 144.4 37.9 22.5 26.8 487 487 A P - 0 0 61 0, 0.0 -274,-0.1 0, 0.0 3,-0.1 -0.319 46.2 -91.4 -68.7 154.9 39.5 24.6 29.5 488 488 A P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 -272,-0.1 -0.314 49.5-108.3 -63.0 158.3 43.3 24.4 29.6 489 489 A R - 0 0 164 -3,-0.1 3,-0.1 1,-0.1 2,-0.1 -0.620 30.6-109.4 -87.9 148.5 44.4 21.7 32.0 490 490 A H - 0 0 34 -2,-0.2 5,-0.1 1,-0.1 59,-0.1 -0.404 47.3 -89.2 -69.8 155.6 45.9 22.6 35.4 491 491 A F E -U 548 0G 4 57,-0.5 57,-4.0 -285,-0.1 2,-0.2 -0.362 41.6-164.4 -66.8 147.2 49.6 21.9 35.7 492 492 A T E > -U 547 0G 20 55,-0.2 4,-2.9 -3,-0.1 5,-0.3 -0.646 43.2 -91.3-117.8 175.5 50.8 18.5 37.0 493 493 A D H > S+ 0 0 28 53,-0.6 4,-1.9 -2,-0.2 5,-0.2 0.953 129.8 47.2 -55.2 -46.0 54.3 17.6 38.2 494 494 A A H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.966 116.1 40.3 -59.5 -57.7 55.1 16.6 34.6 495 495 A T H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.826 113.0 53.6 -67.0 -32.0 53.7 19.7 32.9 496 496 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.940 111.8 45.0 -68.3 -43.3 55.0 22.3 35.4 497 497 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.3 5,-0.3 0.905 111.4 53.9 -64.5 -39.8 58.5 21.0 35.1 498 498 A S H X S+ 0 0 39 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.913 108.3 50.1 -59.3 -42.0 58.2 20.9 31.4 499 499 A A H < S+ 0 0 4 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.868 109.8 50.6 -66.0 -36.5 57.1 24.5 31.4 500 500 A M H >< S+ 0 0 0 -4,-2.0 22,-2.5 2,-0.2 3,-1.0 0.935 116.9 38.5 -67.4 -47.8 60.1 25.5 33.6 501 501 A T H 3< S+ 0 0 33 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.902 125.1 40.3 -69.2 -41.0 62.7 23.8 31.3 502 502 A G T >< S+ 0 0 9 -4,-3.0 3,-1.9 -5,-0.3 -1,-0.3 -0.205 75.8 138.9-100.8 43.2 60.8 24.9 28.2 503 503 A I G X + 0 0 1 -3,-1.0 3,-2.3 1,-0.3 4,-0.2 0.710 54.9 77.7 -59.4 -24.3 60.0 28.3 29.6 504 504 A A G > S+ 0 0 2 -3,-0.3 3,-1.3 1,-0.3 -1,-0.3 0.780 82.1 69.3 -57.6 -25.1 60.8 29.9 26.2 505 505 A R G < S+ 0 0 154 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.458 99.8 47.8 -73.1 -0.6 57.3 28.7 25.2 506 506 A F G < S+ 0 0 78 -3,-2.3 2,-0.4 -7,-0.1 -1,-0.2 0.302 96.9 84.3-120.6 5.2 55.8 31.2 27.6 507 507 A V < - 0 0 2 -3,-1.3 6,-0.0 -4,-0.2 60,-0.0 -0.913 58.0-159.4-113.1 137.3 57.8 34.3 26.5 508 508 A Q + 0 0 173 -2,-0.4 -1,-0.1 4,-0.0 5,-0.1 0.963 65.3 91.4 -77.6 -57.9 56.9 36.5 23.5 509 509 A D > - 0 0 71 1,-0.2 4,-2.0 2,-0.1 3,-0.2 -0.155 65.6-150.7 -45.6 118.7 60.2 38.2 22.7 510 510 A K H > S+ 0 0 138 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.833 95.3 55.6 -63.5 -34.3 62.0 36.1 20.1 511 511 A D H > S+ 0 0 117 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.864 109.7 46.3 -67.0 -36.5 65.4 37.2 21.4 512 512 A L H > S+ 0 0 8 -3,-0.2 4,-2.8 1,-0.2 5,-0.2 0.858 104.3 62.2 -73.6 -36.1 64.6 36.0 24.9 513 513 A K H X S+ 0 0 50 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.865 107.0 44.9 -56.6 -38.8 63.2 32.7 23.6 514 514 A K H X S+ 0 0 121 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.893 111.4 49.8 -75.4 -41.0 66.6 31.8 22.3 515 515 A I H X S+ 0 0 44 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.953 114.1 48.4 -61.0 -46.2 68.6 32.9 25.3 516 516 A L H <>S+ 0 0 1 -4,-2.8 5,-2.8 1,-0.2 -1,-0.2 0.838 111.0 48.7 -63.0 -36.8 66.2 30.8 27.4 517 517 A R H ><5S+ 0 0 143 -4,-1.6 3,-0.7 -5,-0.2 -1,-0.2 0.836 112.0 49.5 -73.5 -32.4 66.4 27.7 25.2 518 518 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.670 111.0 50.0 -79.6 -17.3 70.2 27.8 25.2 519 519 A T T 3<5S- 0 0 42 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.063 116.9-104.5-110.5 24.6 70.4 28.2 29.0 520 520 A D T < 5 - 0 0 28 -3,-0.7 -3,-0.2 -5,-0.1 -4,-0.1 0.777 57.4-100.3 60.1 32.2 68.1 25.3 29.9 521 521 A G S > - 0 0 70 1,-0.0 4,-2.6 -229,-0.0 3,-1.1 -0.785 33.9 -89.9-137.7 179.3 68.7 24.2 36.8 525 525 A E T 34 S+ 0 0 5 1,-0.3 4,-0.4 -2,-0.2 -194,-0.1 0.842 126.8 50.5 -63.6 -32.0 68.7 20.4 37.3 526 526 A A T 34 S+ 0 0 60 -196,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.576 121.9 29.1 -82.0 -8.5 70.0 21.0 40.8 527 527 A T T <> S+ 0 0 60 -3,-1.1 4,-2.8 3,-0.1 3,-0.3 0.766 94.5 78.6-122.0 -33.2 67.4 23.6 41.7 528 528 A R H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.847 96.9 48.3 -47.9 -48.3 64.1 23.1 40.0 529 529 A A H > S+ 0 0 0 -4,-0.4 4,-2.5 -5,-0.2 -219,-0.3 0.923 115.1 47.0 -61.4 -41.8 62.8 20.3 42.2 530 530 A G H > S+ 0 0 32 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.903 109.1 54.0 -65.6 -41.0 63.8 22.2 45.3 531 531 A I H X S+ 0 0 28 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.943 110.6 46.7 -57.5 -49.9 62.1 25.4 43.9 532 532 A I H X S+ 0 0 7 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.933 112.4 49.3 -59.1 -47.1 58.9 23.5 43.4 533 533 A E H X S+ 0 0 76 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.909 109.3 53.6 -59.6 -41.3 59.1 22.0 46.9 534 534 A L H X S+ 0 0 43 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.887 103.5 55.0 -60.9 -42.2 59.8 25.4 48.4 535 535 A L H <>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 6,-1.1 0.846 110.7 46.8 -61.5 -32.9 56.7 26.9 46.7 536 536 A F H ><5S+ 0 0 55 -4,-1.4 3,-1.3 -3,-0.3 -2,-0.2 0.912 110.1 51.8 -73.3 -44.0 54.6 24.2 48.4 537 537 A K H 3<5S+ 0 0 152 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.875 107.3 53.9 -58.6 -39.3 56.3 24.7 51.8 538 538 A R T 3<5S- 0 0 56 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.613 115.4-119.4 -69.7 -14.1 55.5 28.4 51.5 539 539 A G T < 5S+ 0 0 15 -3,-1.3 15,-0.5 -4,-0.3 14,-0.4 0.737 82.8 118.6 79.9 22.8 51.8 27.5 51.0 540 540 A F S - 0 0 28 -11,-1.9 4,-2.9 -2,-0.1 5,-0.2 -0.431 27.2 -97.2-101.2 179.9 46.6 29.1 46.6 552 552 A D H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.889 129.1 48.4 -64.9 -36.0 45.0 32.3 47.9 553 553 A A H > S+ 0 0 6 -14,-0.4 4,-2.5 2,-0.2 5,-0.2 0.907 110.7 51.1 -69.4 -39.4 48.4 33.2 49.3 554 554 A G H > S+ 0 0 0 -15,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.949 113.0 44.5 -61.3 -48.9 50.0 32.4 46.0 555 555 A K H X S+ 0 0 65 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.909 111.7 54.2 -61.6 -42.4 47.6 34.5 44.1 556 556 A A H X S+ 0 0 13 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.933 110.9 44.1 -58.8 -48.6 47.9 37.3 46.6 557 557 A L H >X S+ 0 0 1 -4,-2.5 4,-0.9 1,-0.2 3,-0.6 0.931 112.9 52.9 -61.5 -46.4 51.7 37.5 46.4 558 558 A F H >< S+ 0 0 18 -4,-2.4 3,-1.1 -5,-0.2 -2,-0.2 0.943 110.1 46.5 -54.5 -53.2 51.5 37.3 42.6 559 559 A H H 3< S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.677 108.6 56.1 -65.9 -18.6 49.0 40.2 42.2 560 560 A S H << S+ 0 0 11 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.623 96.6 80.4 -89.0 -12.8 51.0 42.4 44.6 561 561 A L S << S- 0 0 16 -3,-1.1 5,-0.1 -4,-0.9 2,-0.0 -0.590 87.2-100.8 -97.0 155.0 54.2 42.2 42.6 562 562 A P >> - 0 0 35 0, 0.0 3,-1.5 0, 0.0 4,-0.9 -0.348 37.2-109.4 -68.9 154.1 55.3 44.0 39.5 563 563 A E H >> S+ 0 0 153 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.866 116.4 65.3 -48.6 -43.4 55.1 42.1 36.2 564 564 A M H 34 S+ 0 0 66 1,-0.3 3,-0.4 2,-0.2 6,-0.4 0.792 99.7 50.2 -50.4 -38.3 58.9 41.9 36.1 565 565 A A H <4 S+ 0 0 2 -3,-1.5 -1,-0.3 1,-0.2 -369,-0.2 0.723 111.4 47.9 -77.6 -21.9 59.0 39.7 39.2 566 566 A T H << S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.406 102.6 69.8-102.3 5.0 56.4 37.2 37.9 567 567 A R S >< S- 0 0 94 -4,-0.6 3,-0.5 -3,-0.4 4,-0.2 -0.825 78.0-126.5-118.8 158.8 57.8 36.6 34.4 568 568 A P T >> S+ 0 0 5 0, 0.0 4,-1.3 0, 0.0 3,-0.6 0.458 84.1 98.7 -83.6 2.0 61.0 34.8 33.3 569 569 A D H 3> S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.875 74.8 59.8 -55.9 -43.1 62.3 37.8 31.2 570 570 A M H <> S+ 0 0 24 -3,-0.5 4,-2.6 -6,-0.4 -1,-0.2 0.891 102.3 53.6 -55.0 -40.2 64.7 38.9 33.9 571 571 A T H <> S+ 0 0 2 -3,-0.6 4,-2.6 -4,-0.2 -1,-0.2 0.899 108.9 48.7 -62.8 -39.5 66.5 35.6 33.8 572 572 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.2 -2,-0.2 0.937 111.9 49.3 -66.2 -43.5 67.0 35.9 30.0 573 573 A H H X S+ 0 0 101 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.874 112.9 47.0 -62.3 -40.7 68.3 39.5 30.5 574 574 A W H X S+ 0 0 13 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.956 109.4 53.4 -65.3 -51.8 70.7 38.4 33.2 575 575 A E H X S+ 0 0 20 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.812 107.1 51.8 -55.0 -34.8 72.0 35.4 31.2 576 576 A S H X S+ 0 0 34 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.914 113.9 42.7 -71.7 -39.2 72.8 37.5 28.2 577 577 A V H X S+ 0 0 35 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.896 112.0 53.5 -72.1 -38.7 74.8 40.0 30.2 578 578 A L H X S+ 0 0 1 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.892 108.4 51.8 -61.1 -37.0 76.5 37.2 32.2 579 579 A T H X S+ 0 0 56 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.953 107.5 51.8 -62.2 -47.3 77.5 35.7 28.9 580 580 A Q H <>S+ 0 0 81 -4,-2.0 5,-3.8 1,-0.2 6,-0.6 0.826 109.4 50.9 -58.3 -34.0 78.9 39.1 27.9 581 581 A I H ><5S+ 0 0 5 -4,-2.0 3,-1.7 4,-0.2 5,-0.2 0.929 109.3 48.5 -70.0 -45.5 80.9 39.1 31.1 582 582 A S H 3<5S+ 0 0 42 -4,-2.4 -424,-0.3 1,-0.3 -2,-0.2 0.722 113.4 49.3 -67.9 -19.4 82.3 35.6 30.5 583 583 A E T 3<5S- 0 0 111 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.198 115.3-115.5-102.6 14.5 83.3 36.7 27.0 584 584 A K T < 5S+ 0 0 173 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.834 84.7 120.0 54.4 36.6 85.0 39.9 28.2 585 585 A Q S - 0 0 166 -2,-0.3 4,-0.7 -3,-0.1 3,-0.5 -0.502 31.4-109.4 -94.4 166.5 82.5 44.3 33.2 588 588 A Y H >> S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 3,-1.2 0.920 118.7 49.8 -57.7 -48.2 81.1 43.2 36.5 589 589 A Q H 3> S+ 0 0 90 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.710 100.1 64.5 -68.3 -20.2 80.0 46.8 37.4 590 590 A D H 34 S+ 0 0 77 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.730 114.4 33.6 -74.3 -19.4 78.3 47.2 34.0 591 591 A F H S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.892 114.6 51.6 -62.9 -34.9 72.1 48.8 36.6 595 595 A L H X S+ 0 0 18 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.907 110.9 45.7 -67.5 -40.5 70.8 45.9 38.7 596 596 A V H X S+ 0 0 25 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.882 110.4 54.9 -70.5 -33.3 71.3 47.7 42.0 597 597 A G H X S+ 0 0 42 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.917 111.1 44.8 -62.8 -42.3 69.7 50.8 40.4 598 598 A T H X S+ 0 0 52 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.858 108.9 56.9 -68.3 -37.2 66.6 48.7 39.6 599 599 A L H X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.956 104.6 52.1 -60.2 -49.8 66.7 47.1 43.0 600 600 A Y H X S+ 0 0 115 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.894 111.4 48.2 -51.5 -43.2 66.4 50.6 44.6 601 601 A Q H X S+ 0 0 117 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.900 111.1 48.7 -66.6 -43.1 63.4 51.3 42.4 602 602 A L H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.904 112.2 49.0 -65.1 -40.8 61.7 48.0 43.2 603 603 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.914 110.5 51.0 -65.4 -41.6 62.2 48.5 47.0 604 604 A D H X S+ 0 0 68 -4,-2.1 4,-0.6 -5,-0.3 -2,-0.2 0.935 112.9 45.9 -59.8 -46.0 60.8 52.0 46.8 605 605 A Q H >< S+ 0 0 87 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.863 110.1 53.1 -66.4 -36.7 57.8 50.7 44.9 606 606 A A H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.900 103.5 58.0 -64.3 -39.2 57.3 47.9 47.4 607 607 A K H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.722 108.0 47.6 -63.7 -19.4 57.4 50.4 50.2 608 608 A R T << S+ 0 0 176 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.322 85.6 114.8-102.3 4.4 54.4 52.1 48.5 609 609 A T S < S- 0 0 26 -3,-1.8 2,-0.2 -4,-0.1 -49,-0.0 -0.629 72.4-117.6 -79.4 129.8 52.4 48.9 48.0 610 610 A P - 0 0 59 0, 0.0 3,-0.5 0, 0.0 4,-0.1 -0.469 15.0-151.5 -67.9 133.5 49.2 48.7 50.0 611 611 A V S > S+ 0 0 45 1,-0.2 3,-2.6 -2,-0.2 4,-0.4 0.688 77.1 90.5 -80.7 -18.3 49.1 45.9 52.5 612 612 A R G > S+ 0 0 162 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.827 76.6 65.2 -45.9 -41.0 45.4 45.5 52.5 613 613 A Q G 3 S+ 0 0 42 -3,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.706 97.7 55.7 -58.6 -20.5 45.6 42.9 49.7 614 614 A F G X S+ 0 0 1 -3,-2.6 3,-0.5 -431,-0.1 -1,-0.3 0.570 82.6 113.1 -89.6 -8.1 47.5 40.5 52.0 615 615 A R T < S+ 0 0 197 -3,-2.0 2,-0.4 -4,-0.4 -427,-0.1 -0.349 75.8 19.9 -65.4 139.3 44.7 40.6 54.6 616 616 A G T 3 S+ 0 0 59 -429,-0.4 -1,-0.2 1,-0.3 -2,-0.1 -0.242 87.6 116.7 99.3 -48.5 42.9 37.3 55.1 617 617 A I < - 0 0 26 -3,-0.5 2,-0.4 -2,-0.4 -1,-0.3 -0.262 55.8-142.1 -57.7 142.4 45.3 34.8 53.7 618 618 A V - 0 0 125 -429,-0.1 -65,-0.2 -3,-0.1 -429,-0.1 -0.878 7.7-123.1-113.5 143.4 46.7 32.4 56.3 619 619 A A 0 0 29 -2,-0.4 -80,-0.1 1,-0.1 -81,-0.1 -0.498 360.0 360.0 -81.3 149.8 50.2 31.0 56.6 620 620 A P 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -83,-0.0 -0.108 360.0 360.0 -63.0 360.0 50.8 27.2 56.6