==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 27-AUG-03 1QVI . COMPND 2 MOLECULE: MYOSIN HEAVY CHAIN, STRIATED MUSCLE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARGOPECTEN IRRADIANS; . AUTHOR S.GOURINATH,D.M.HIMMEL,J.H.BROWN,L.RESHETNIKOVA,A.G.SZENT- . 1102 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 779 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 8.2 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 3 0.3 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 . 65 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 433 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.6 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 2 3 7 4 7 2 2 0 3 2 2 2 0 0 0 0 0 0 0 1 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 3 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 3 5 4 3 1 2 2 0 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 . 4 2 1 1 0 0 1 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 S > 0 0 113 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-161.2 5.5 13.8 64.1 2 7 A D G > + 0 0 131 1,-0.3 3,-3.4 2,-0.2 7,-0.2 0.807 360.0 80.3 -43.9 -42.0 4.7 13.3 60.4 3 8 A P G > S+ 0 0 95 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.761 88.1 55.3 -38.6 -39.4 6.2 9.8 60.3 4 9 A D G < S+ 0 0 39 -3,-1.7 3,-0.3 1,-0.3 -2,-0.2 0.643 97.9 64.1 -73.1 -14.8 3.0 8.3 61.8 5 10 A F G X> + 0 0 47 -3,-3.4 4,-2.0 -4,-0.3 3,-1.1 0.097 68.2 118.0 -95.3 22.0 0.9 9.9 59.0 6 11 A Q T <4 S+ 0 0 138 -3,-1.1 -1,-0.2 1,-0.3 5,-0.1 0.956 89.1 18.8 -50.6 -64.6 2.7 7.7 56.5 7 12 A Y T 34 S+ 0 0 69 -3,-0.3 100,-0.4 1,-0.1 -1,-0.3 -0.040 127.3 56.3-100.6 30.1 -0.4 5.8 55.3 8 13 A L T <4 S+ 0 0 5 -3,-1.1 -2,-0.2 1,-0.1 2,-0.2 0.659 95.8 53.0-125.1 -43.7 -2.9 8.3 56.6 9 14 A A S < S- 0 0 35 -4,-2.0 2,-0.6 -7,-0.2 -1,-0.1 -0.507 77.6-115.0 -98.1 167.8 -2.2 11.7 55.2 10 15 A V - 0 0 22 -2,-0.2 -3,-0.1 1,-0.2 -4,-0.0 -0.902 17.4-140.4-102.4 119.2 -1.8 13.0 51.6 11 16 A D + 0 0 123 -2,-0.6 -1,-0.2 1,-0.2 -5,-0.0 0.875 27.2 179.2 -42.6 -49.0 1.7 14.3 50.9 12 17 A R + 0 0 140 1,-0.2 -1,-0.2 -3,-0.1 7,-0.1 0.452 69.1 75.3 57.7 -2.1 0.2 17.1 48.9 13 18 A K S > S+ 0 0 70 2,-0.1 3,-0.5 3,-0.1 -1,-0.2 0.791 111.8 23.4 -96.9 -50.0 3.8 18.3 48.3 14 19 A K T 3 S+ 0 0 73 1,-0.2 3,-0.3 2,-0.2 -3,-0.0 0.617 127.4 53.3 -84.6 -18.1 4.4 15.6 45.8 15 20 A L T 3 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.202 91.5 75.5 -97.7 9.9 0.7 15.6 45.4 16 21 A M S < S+ 0 0 51 -3,-0.5 3,-0.2 2,-0.2 -1,-0.2 0.600 93.0 52.0 -91.3 -18.4 1.0 19.3 44.7 17 22 A K S S+ 0 0 79 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.372 105.2 58.5 -93.4 -0.2 2.2 18.3 41.3 18 23 A E S S+ 0 0 40 1,-0.1 -2,-0.2 3,-0.1 -1,-0.2 0.398 107.4 43.1-106.2 -5.2 -0.9 16.2 41.1 19 24 A Q S S+ 0 0 45 -3,-0.2 2,-0.4 1,-0.1 57,-0.2 0.292 101.9 74.3-117.0 -1.3 -3.3 19.1 41.6 20 25 A T S S+ 0 0 77 55,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.576 73.0 124.2-111.7 62.9 -1.2 21.2 39.2 21 26 A A S S- 0 0 65 -2,-0.4 2,-1.1 -3,-0.1 -3,-0.1 -0.714 73.1 -92.3-118.5 169.8 -2.3 19.6 35.9 22 27 A A + 0 0 92 -2,-0.2 2,-0.3 53,-0.0 -2,-0.1 -0.731 60.1 164.3 -85.7 99.5 -3.8 20.9 32.7 23 28 A F + 0 0 60 -2,-1.1 2,-0.2 4,-0.0 3,-0.0 -0.767 22.3 178.4-116.8 161.2 -7.5 20.4 33.3 24 29 A D >> - 0 0 58 -2,-0.3 3,-2.3 1,-0.0 4,-1.6 -0.646 21.7-151.9-165.3 100.3 -10.7 21.8 31.6 25 30 A G T 34 S+ 0 0 52 1,-0.3 47,-0.2 2,-0.2 -1,-0.0 0.531 101.1 55.0 -53.2 -7.0 -14.2 20.8 32.8 26 31 A K T 34 S+ 0 0 167 45,-0.1 -1,-0.3 3,-0.0 17,-0.1 0.691 119.6 30.2 -96.7 -25.6 -15.4 21.3 29.2 27 32 A K T <4 S+ 0 0 80 -3,-2.3 16,-2.9 15,-0.1 -2,-0.2 0.903 110.3 60.3 -95.1 -68.2 -12.8 18.9 27.8 28 33 A N E < +A 42 0A 14 -4,-1.6 44,-0.6 14,-0.3 2,-0.3 -0.379 63.6 142.7 -69.7 140.3 -12.1 16.2 30.4 29 34 A C E -AB 41 71A 5 12,-2.5 12,-3.5 42,-0.2 2,-0.4 -0.968 47.9 -91.2-164.1 173.9 -14.8 13.9 31.6 30 35 A W E -AB 40 70A 22 40,-3.5 40,-2.2 -2,-0.3 10,-0.2 -0.833 35.0-174.3-101.9 138.0 -15.8 10.4 32.7 31 36 A V E -A 39 0A 1 8,-2.2 8,-3.3 -2,-0.4 38,-0.1 -0.994 33.6 -98.8-132.3 135.1 -17.1 7.9 30.2 32 37 A P E -A 38 0A 48 0, 0.0 2,-0.3 0, 0.0 6,-0.3 -0.086 42.6-176.8 -48.5 148.5 -18.4 4.3 30.9 33 38 A D E > -A 37 0A 29 4,-1.0 4,-1.7 1,-0.1 -2,-0.0 -0.883 29.9-140.4-158.0 120.3 -15.9 1.6 30.3 34 39 A E T 4 S+ 0 0 153 -2,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.898 100.9 39.2 -43.1 -57.1 -16.3 -2.2 30.6 35 40 A K T 4 S+ 0 0 143 1,-0.2 623,-0.4 622,-0.1 622,-0.2 0.993 128.8 22.7 -59.3 -77.0 -12.9 -2.8 32.1 36 41 A E T 4 S- 0 0 95 621,-0.1 2,-1.6 1,-0.1 -1,-0.2 0.240 97.3-121.6 -81.7 10.9 -12.3 0.1 34.6 37 42 A G E < S+A 33 0A 13 -4,-1.7 -4,-1.0 -3,-0.2 2,-0.3 -0.122 93.7 20.7 79.1 -45.4 -15.9 1.0 35.2 38 43 A F E S-A 32 0A 22 -2,-1.6 2,-0.4 -6,-0.3 -8,-0.0 -0.963 73.9-152.0-153.9 139.0 -15.2 4.6 34.0 39 44 A A E -A 31 0A 6 -8,-3.3 -8,-2.2 -2,-0.3 2,-0.4 -0.933 25.2-113.9-118.7 142.4 -12.4 5.9 31.8 40 45 A S E +A 30 0A 38 -2,-0.4 16,-1.5 -10,-0.2 17,-0.7 -0.608 47.9 178.1 -72.7 124.4 -11.0 9.3 31.8 41 46 A A E -AC 29 55A 0 -12,-3.5 -12,-2.5 -2,-0.4 2,-0.4 -0.788 29.3-137.5-126.9 171.0 -11.9 10.9 28.5 42 47 A E E -AC 28 54A 43 12,-1.4 12,-0.8 -2,-0.3 -14,-0.3 -0.939 28.4-124.9-133.6 108.4 -11.5 14.1 26.6 43 48 A I E + C 0 53A 55 -16,-2.9 10,-0.2 -2,-0.4 3,-0.1 -0.057 41.9 150.3 -49.8 149.0 -14.4 15.4 24.6 44 49 A Q E + 0 0 105 8,-1.1 9,-0.2 1,-0.6 -1,-0.1 0.178 48.1 41.6-142.5 -93.1 -13.9 16.2 20.9 45 50 A S E - C 0 52A 55 7,-0.9 7,-1.2 2,-0.0 -1,-0.6 -0.223 64.6-146.2 -67.7 158.8 -16.6 15.9 18.2 46 51 A S + 0 0 106 5,-0.2 5,-0.2 -3,-0.1 -1,-0.0 -0.993 25.8 161.0-130.6 134.5 -20.2 17.2 18.8 47 52 A K > - 0 0 111 -2,-0.4 2,-3.9 0, 0.0 3,-3.0 -0.446 64.9 -86.3-154.2 73.7 -23.4 15.7 17.4 48 53 A G T 3 S- 0 0 74 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 -0.220 113.9 -18.8 60.2 -64.7 -26.6 16.6 19.3 49 54 A D T 3 S+ 0 0 52 -2,-3.9 17,-2.5 1,-0.0 2,-2.1 0.366 118.3 95.2-142.9 -23.9 -26.2 13.8 21.8 50 55 A E E < - D 0 65A 107 -3,-3.0 2,-0.4 15,-0.2 15,-0.2 -0.547 61.5-176.0 -77.5 81.8 -23.8 11.6 19.9 51 56 A I E - D 0 64A 17 -2,-2.1 13,-2.5 13,-1.3 2,-0.7 -0.686 16.0-145.3 -85.9 133.2 -20.6 13.0 21.6 52 57 A T E +CD 45 63A 12 -7,-1.2 -8,-1.1 -2,-0.4 -7,-0.9 -0.865 24.2 177.0-105.1 110.1 -17.3 11.7 20.4 53 58 A V E -CD 43 62A 0 9,-1.8 9,-2.2 -2,-0.7 2,-0.4 -0.479 27.3-131.4-106.3 176.3 -14.5 11.3 23.0 54 59 A K E -CD 42 61A 76 -12,-0.8 -12,-1.4 7,-0.2 2,-0.8 -0.980 21.1-136.2-130.3 114.2 -10.9 10.1 23.3 55 60 A I E >>> -CD 41 60A 0 5,-1.6 5,-1.3 -2,-0.4 3,-0.7 -0.624 8.7-157.7 -75.7 108.2 -10.1 7.7 26.2 56 61 A V G >45S+ 0 0 65 -16,-1.5 3,-0.7 -2,-0.8 -1,-0.2 0.829 82.6 75.2 -52.9 -38.0 -6.8 8.9 27.6 57 62 A A G 345S+ 0 0 87 -17,-0.7 -1,-0.2 1,-0.3 -16,-0.1 0.883 121.3 4.4 -41.4 -57.4 -6.1 5.5 29.1 58 63 A D G <45S- 0 0 102 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.041 99.5-113.3-121.6 23.7 -5.2 3.9 25.7 59 64 A S T <<5S+ 0 0 93 -3,-0.7 2,-0.2 -4,-0.7 -3,-0.2 0.863 71.8 140.8 46.8 41.5 -5.3 6.9 23.5 60 65 A S E < -D 55 0A 37 -5,-1.3 -5,-1.6 2,-0.0 2,-0.3 -0.607 48.7-120.0-108.4 172.4 -8.3 5.4 21.7 61 66 A T E +D 54 0A 99 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.829 31.3 165.5-113.4 152.4 -11.5 6.9 20.3 62 67 A R E -D 53 0A 69 -9,-2.2 -9,-1.8 -2,-0.3 2,-0.5 -0.979 29.1-133.7-161.7 151.0 -15.1 6.1 21.2 63 68 A T E +D 52 0A 71 -2,-0.3 2,-0.2 -11,-0.2 -11,-0.2 -0.963 30.4 177.1-116.0 121.5 -18.5 7.7 20.7 64 69 A V E -D 51 0A 15 -13,-2.5 -13,-1.3 -2,-0.5 2,-0.3 -0.733 35.6 -92.4-119.6 167.8 -20.7 7.9 23.8 65 70 A K E >> -D 50 0A 118 -2,-0.2 3,-3.2 -15,-0.2 4,-0.9 -0.635 30.7-125.5 -81.4 137.2 -24.2 9.3 24.5 66 71 A K T 34 S+ 0 0 136 -17,-2.5 -1,-0.1 -2,-0.3 -16,-0.1 0.636 113.8 55.5 -54.7 -12.2 -24.2 12.9 25.8 67 72 A D T 34 S+ 0 0 110 -18,-0.2 -1,-0.3 1,-0.1 -18,-0.0 0.489 98.9 57.6-101.4 -4.2 -26.2 11.4 28.7 68 73 A D T <4 S+ 0 0 75 -3,-3.2 -2,-0.2 2,-0.0 -1,-0.1 0.588 85.4 101.7 -97.8 -14.2 -23.6 8.7 29.6 69 74 A I < - 0 0 41 -4,-0.9 2,-0.4 -38,-0.1 -38,-0.2 -0.342 57.0-158.5 -70.1 149.4 -20.9 11.3 30.2 70 75 A Q E -B 30 0A 36 -40,-2.2 -40,-3.5 -2,-0.1 20,-0.0 -0.999 22.4-105.5-135.6 137.3 -20.1 12.4 33.8 71 76 A S E -B 29 0A 53 -2,-0.4 2,-0.4 -42,-0.2 22,-0.2 -0.303 30.6-141.8 -63.1 135.3 -18.4 15.5 35.1 72 77 A M - 0 0 21 -44,-0.6 -1,-0.1 -47,-0.2 -44,-0.0 -0.792 15.4-122.6 -99.3 138.2 -14.9 15.1 36.3 73 78 A N - 0 0 23 -2,-0.4 13,-0.0 15,-0.1 -1,-0.0 -0.481 34.3-101.4 -77.7 152.1 -13.6 17.0 39.3 74 79 A P > - 0 0 36 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.258 35.8-101.8 -67.9 161.3 -10.6 19.3 38.9 75 80 A P G > S+ 0 0 21 0, 0.0 3,-2.4 0, 0.0 -55,-0.1 0.799 114.3 81.6 -53.2 -30.1 -7.1 18.2 40.0 76 81 A K G 3 S+ 0 0 141 1,-0.3 -57,-0.1 -57,-0.2 -58,-0.0 0.750 89.9 51.4 -47.2 -29.6 -7.7 20.3 43.1 77 82 A F G X S+ 0 0 23 -3,-2.2 3,-1.3 3,-0.1 -1,-0.3 0.207 75.6 147.4 -99.1 16.9 -9.7 17.5 44.6 78 83 A E T < S- 0 0 40 -3,-2.4 3,-0.1 1,-0.3 19,-0.1 -0.165 78.4 -4.7 -52.5 145.8 -7.3 14.6 44.2 79 84 A K T 3 S- 0 0 39 1,-0.2 -1,-0.3 17,-0.1 18,-0.1 0.817 92.5-163.0 35.1 46.2 -7.5 11.9 46.9 80 85 A L < - 0 0 17 -3,-1.3 3,-0.2 1,-0.1 -1,-0.2 -0.311 16.9-141.1 -58.9 136.4 -10.0 14.2 48.7 81 86 A E S S+ 0 0 47 1,-0.2 29,-2.3 -3,-0.1 2,-0.6 0.902 90.2 32.9 -70.5 -42.1 -10.5 13.2 52.3 82 87 A D B > -e 110 0B 43 27,-0.2 3,-2.1 1,-0.1 -1,-0.2 -0.902 69.8-157.5-121.0 105.5 -14.3 13.8 52.5 83 88 A M G > S+ 0 0 0 27,-2.1 3,-1.4 -2,-0.6 28,-0.2 0.620 85.3 75.8 -53.6 -19.0 -16.1 13.0 49.2 84 89 A A G 3 S+ 0 0 3 1,-0.2 -1,-0.3 26,-0.1 27,-0.1 0.530 89.7 60.6 -72.3 -4.2 -19.0 15.2 50.1 85 90 A N G < S+ 0 0 90 -3,-2.1 -1,-0.2 -8,-0.1 -2,-0.2 0.461 76.3 112.1-100.4 -4.5 -16.8 18.2 49.2 86 91 A M S < S- 0 0 2 -3,-1.4 3,-0.1 -4,-0.2 8,-0.0 -0.267 71.0-130.8 -62.1 157.8 -16.2 17.3 45.6 87 92 A T S S+ 0 0 71 1,-0.2 2,-0.6 -13,-0.1 -1,-0.1 0.836 96.4 43.8 -79.3 -34.5 -17.9 19.6 43.1 88 93 A Y - 0 0 99 2,-0.1 2,-1.1 -17,-0.1 -1,-0.2 -0.937 69.2-163.9-117.7 112.0 -19.4 16.8 41.1 89 94 A L + 0 0 35 -2,-0.6 2,-0.3 -3,-0.1 -18,-0.0 -0.778 38.8 131.6 -95.5 93.1 -21.0 14.0 43.1 90 95 A N S > S- 0 0 18 -2,-1.1 4,-2.3 -19,-0.1 3,-0.4 -0.948 71.3-100.3-138.7 159.9 -21.4 11.2 40.6 91 96 A E H > S+ 0 0 82 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.764 121.8 51.5 -50.4 -29.3 -20.6 7.4 40.5 92 97 A A H > S+ 0 0 1 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.912 108.7 48.3 -76.7 -43.0 -17.4 8.1 38.6 93 98 A S H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.902 113.8 46.8 -62.6 -44.4 -16.0 10.8 40.9 94 99 A V H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.919 113.3 50.2 -64.8 -42.9 -16.7 8.7 44.0 95 100 A L H X S+ 0 0 5 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.917 112.1 46.6 -61.8 -43.0 -15.1 5.7 42.2 96 101 A Y H X S+ 0 0 81 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.889 109.9 53.1 -68.1 -40.0 -12.0 7.7 41.3 97 102 A N H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.953 113.9 40.9 -62.3 -49.7 -11.5 9.2 44.7 98 103 A L H X S+ 0 0 5 -4,-2.1 4,-3.6 2,-0.2 -2,-0.2 0.922 116.4 49.6 -63.8 -44.9 -11.6 5.9 46.5 99 104 A R H X S+ 0 0 54 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.909 111.1 50.5 -58.3 -45.8 -9.5 4.1 43.9 100 105 A S H X S+ 0 0 7 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.918 115.3 41.7 -59.3 -48.0 -6.9 7.0 44.0 101 106 A R H >X>S+ 0 0 2 -4,-2.3 5,-2.2 -5,-0.2 4,-1.5 0.936 111.8 56.7 -67.1 -43.8 -6.6 6.8 47.7 102 107 A Y H ><5S+ 0 0 13 -4,-3.6 3,-0.6 1,-0.3 -2,-0.2 0.913 107.4 47.1 -53.9 -46.8 -6.6 3.1 47.7 103 108 A T H 3<5S+ 0 0 90 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.731 109.4 55.4 -69.7 -20.5 -3.6 2.9 45.4 104 109 A S H <<5S- 0 0 61 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.726 124.3-101.0 -82.4 -23.0 -1.8 5.5 47.5 105 110 A G T <<5S+ 0 0 3 -4,-1.5 2,-0.9 -3,-0.6 -3,-0.2 0.318 82.8 130.8 116.8 -1.8 -2.2 3.4 50.6 106 111 A L < + 0 0 9 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.736 23.9 169.6 -88.0 104.7 -5.1 5.3 52.0 107 112 A I + 0 0 9 -2,-0.9 11,-2.1 -100,-0.4 2,-0.4 0.563 56.3 70.9 -93.7 -8.6 -7.8 2.8 53.0 108 113 A Y E + F 0 117B 3 37,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.908 52.2 162.6-113.4 137.0 -10.1 5.2 54.9 109 114 A T E - F 0 116B 3 7,-1.9 7,-3.2 -2,-0.4 2,-0.2 -0.991 28.8-133.1-147.3 141.1 -12.2 8.0 53.3 110 115 A Y E -eF 82 115B 11 -29,-2.3 -27,-2.1 -2,-0.3 5,-0.2 -0.664 15.0-172.9 -92.7 156.3 -15.2 9.9 54.7 111 116 A S E > - F 0 114B 0 3,-2.3 3,-1.2 1,-0.4 2,-0.2 -0.666 60.1 -65.1-148.3 83.4 -18.3 10.5 52.7 112 117 A G T 3 S- 0 0 12 1,-0.2 -1,-0.4 -2,-0.2 561,-0.1 -0.504 117.1 -6.4 71.2-135.5 -20.7 12.8 54.5 113 118 A L T 3 S+ 0 0 77 559,-0.3 -1,-0.2 -2,-0.2 527,-0.2 0.672 128.9 52.9 -68.0 -20.1 -22.0 11.3 57.8 114 119 A F E < S-F 111 0B 2 -3,-1.2 -3,-2.3 525,-0.1 2,-0.3 -0.573 76.3-119.8-112.8 177.6 -20.5 7.9 57.3 115 120 A C E -Fg 110 641B 1 525,-2.4 527,-2.9 -5,-0.2 2,-0.5 -0.878 11.8-144.8-119.8 150.3 -17.0 6.3 56.6 116 121 A I E -Fg 109 642B 1 -7,-3.2 -7,-1.9 -2,-0.3 2,-0.5 -0.951 13.5-170.7-115.5 131.3 -15.8 4.1 53.8 117 122 A A E -Fg 108 643B 3 525,-2.9 527,-2.7 -2,-0.5 2,-0.5 -0.937 6.1-161.3-128.7 113.7 -13.2 1.4 54.3 118 123 A V E - g 0 644B 12 -11,-2.1 527,-0.2 -2,-0.5 525,-0.1 -0.783 31.8-111.6 -93.5 125.1 -11.5 -0.5 51.5 119 124 A N - 0 0 26 525,-2.7 57,-0.1 -2,-0.5 -1,-0.1 -0.313 25.3-163.8 -56.5 123.2 -9.8 -3.8 52.5 120 125 A P - 0 0 25 0, 0.0 533,-0.4 0, 0.0 -1,-0.2 0.819 16.8-145.8 -79.5 -31.6 -6.0 -3.4 52.2 121 126 A Y S S+ 0 0 49 1,-0.1 2,-0.3 531,-0.1 -2,-0.1 0.883 72.9 59.6 64.4 41.6 -5.2 -7.1 52.3 122 127 A R S S- 0 0 109 529,-0.1 2,-0.2 530,-0.0 -1,-0.1 -0.858 96.5 -80.9 175.7 154.8 -1.9 -6.5 54.2 123 128 A R - 0 0 189 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.507 39.8-160.8 -75.7 135.0 -0.8 -5.0 57.5 124 129 A L > - 0 0 14 -2,-0.2 3,-0.7 1,-0.0 2,-0.5 -0.931 23.6-129.2-117.6 140.6 -0.6 -1.2 57.7 125 130 A P T 3 S+ 0 0 77 0, 0.0 3,-0.3 0, 0.0 -119,-0.1 0.011 85.2 98.7 -74.6 29.2 1.5 0.7 60.3 126 131 A I T 3 + 0 0 3 -2,-0.5 -122,-0.0 1,-0.2 -3,-0.0 0.374 67.9 61.8-103.5 5.7 -1.5 2.9 61.1 127 132 A Y S < S+ 0 0 45 -3,-0.7 -1,-0.2 4,-0.1 5,-0.0 0.264 73.2 123.4-113.7 13.3 -2.9 1.1 64.2 128 133 A T S > S- 0 0 57 -3,-0.3 4,-1.3 1,-0.1 5,-0.0 0.144 77.2-103.0 -61.6-175.8 0.1 1.6 66.6 129 134 A D H > S+ 0 0 104 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.703 120.2 58.5 -84.4 -21.1 -0.2 3.2 70.0 130 135 A S H > S+ 0 0 44 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.897 105.1 47.8 -74.9 -40.4 1.4 6.4 68.6 131 136 A V H >> S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.950 110.0 53.9 -64.4 -44.7 -1.3 6.8 65.9 132 137 A I H >X S+ 0 0 7 -4,-1.3 4,-1.1 1,-0.3 3,-0.6 0.894 104.6 56.4 -53.9 -40.4 -3.9 6.3 68.7 133 138 A A H 3< S+ 0 0 67 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.798 106.9 48.3 -63.2 -29.3 -2.2 9.1 70.7 134 139 A K H << S+ 0 0 52 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.648 110.0 51.4 -86.5 -16.1 -2.6 11.6 67.8 135 140 A Y H X< S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.6 -2,-0.2 0.623 77.6 118.5 -95.5 -15.2 -6.3 10.8 67.2 136 141 A R T 3< S- 0 0 129 -4,-1.1 3,-0.1 1,-0.3 13,-0.1 -0.242 91.2 -5.4 -55.8 136.0 -7.6 11.2 70.7 137 142 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 15,-0.0 2,-0.1 0.624 99.2 146.5 54.9 15.9 -10.2 13.9 71.1 138 143 A K < - 0 0 61 -3,-1.9 2,-0.3 1,-0.0 -1,-0.2 -0.462 49.0-124.3 -82.5 154.3 -9.7 15.0 67.5 139 144 A R >> - 0 0 33 -2,-0.1 3,-1.1 1,-0.1 4,-0.9 -0.716 25.3-118.0 -92.1 148.2 -12.4 16.4 65.3 140 145 A K G >4 S+ 0 0 43 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.867 115.5 48.0 -55.0 -38.2 -12.9 14.5 62.0 141 146 A T G 34 S+ 0 0 102 1,-0.2 -1,-0.3 4,-0.0 -60,-0.0 0.648 105.2 62.3 -78.0 -13.5 -12.0 17.6 60.0 142 147 A E G <4 S+ 0 0 91 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.692 109.5 27.7 -86.0 -21.3 -8.9 18.2 62.1 143 148 A I S << S- 0 0 12 -4,-0.9 3,-0.1 -3,-0.5 -1,-0.1 -0.993 96.9 -76.1-144.8 147.4 -7.0 15.0 61.3 144 149 A P - 0 0 25 0, 0.0 5,-0.2 0, 0.0 -135,-0.1 0.144 62.4 -84.0 -39.4 151.0 -6.9 12.4 58.4 145 150 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 -37,-0.3 -0.409 65.0 153.5 -62.7 133.9 -9.7 10.0 57.9 146 151 A H >> - 0 0 0 -3,-0.1 3,-1.4 -2,-0.1 4,-0.9 -0.961 58.0-116.3-161.3 144.6 -9.2 6.9 60.1 147 152 A L H 3> S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.3 3,-0.2 0.761 114.2 66.9 -53.8 -25.1 -11.4 4.4 61.7 148 153 A F H 3> S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.851 92.9 55.0 -67.2 -36.7 -10.2 5.8 65.0 149 154 A S H <> S+ 0 0 1 -3,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.787 106.3 53.3 -66.3 -28.6 -11.8 9.2 64.4 150 155 A V H X S+ 0 0 3 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.947 111.1 45.1 -71.1 -46.7 -15.1 7.4 64.0 151 156 A A H X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.953 117.1 45.3 -59.9 -50.0 -14.6 5.6 67.3 152 157 A D H X S+ 0 0 7 -4,-3.1 4,-3.3 1,-0.2 -1,-0.2 0.903 110.1 52.7 -60.3 -45.1 -13.5 8.8 69.0 153 158 A N H X S+ 0 0 38 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.855 108.8 53.1 -59.8 -33.9 -16.3 10.8 67.5 154 159 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.891 110.4 45.9 -66.6 -41.8 -18.7 8.2 68.9 155 160 A Y H X S+ 0 0 39 -4,-1.8 4,-2.0 2,-0.2 5,-0.3 0.924 111.5 52.4 -66.5 -47.2 -17.2 8.5 72.4 156 161 A Q H X S+ 0 0 50 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.911 110.7 46.7 -56.4 -45.7 -17.3 12.3 72.2 157 162 A N H X S+ 0 0 33 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.841 108.1 57.8 -66.6 -34.1 -21.1 12.3 71.2 158 163 A M H X>S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 5,-0.5 0.917 114.1 35.6 -64.9 -43.0 -21.8 9.8 74.0 159 164 A V H <5S+ 0 0 59 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.928 122.3 46.7 -76.7 -41.3 -20.4 12.1 76.7 160 165 A T H <5S+ 0 0 62 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.972 125.8 26.3 -63.0 -58.0 -21.7 15.3 75.1 161 166 A D H <5S- 0 0 67 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.614 97.6-131.7 -83.9 -13.3 -25.2 14.2 74.2 162 167 A R T <5 + 0 0 189 -4,-0.9 2,-0.3 -5,-0.4 -3,-0.2 0.960 64.4 122.6 60.9 52.5 -25.5 11.6 77.0 163 168 A E < - 0 0 69 -5,-0.5 -1,-0.2 -6,-0.3 -2,-0.1 -0.997 67.0 -99.4-144.8 146.6 -26.9 9.0 74.6 164 169 A N - 0 0 42 471,-0.3 473,-1.7 -2,-0.3 2,-0.2 -0.351 36.7-153.9 -68.1 145.2 -25.8 5.5 73.6 165 170 A Q E -hi 442 637B 0 276,-1.9 278,-3.2 471,-0.2 2,-0.3 -0.727 7.0-161.6-113.4 165.9 -23.9 5.1 70.3 166 171 A S E -hi 443 638B 0 471,-1.7 473,-2.4 -2,-0.2 2,-0.7 -0.961 9.5-150.9-151.3 128.4 -23.6 2.1 67.9 167 172 A C E -hi 444 639B 2 276,-3.5 278,-2.4 -2,-0.3 2,-0.6 -0.912 14.8-164.9-102.4 111.7 -21.0 1.5 65.2 168 173 A L E -hi 445 640B 0 471,-1.8 473,-3.0 -2,-0.7 2,-0.7 -0.869 1.4-166.7 -99.1 120.7 -22.5 -0.5 62.4 169 174 A I E - i 0 641B 1 276,-1.3 278,-0.4 -2,-0.6 473,-0.2 -0.921 14.1-176.8-111.0 108.2 -19.8 -2.0 60.2 170 175 A T E + i 0 642B 10 471,-2.3 473,-3.0 -2,-0.7 2,-0.2 -0.565 16.6 118.8-101.1 166.1 -21.5 -3.3 57.0 171 176 A G - 0 0 4 -2,-0.2 279,-1.0 471,-0.2 473,-0.1 -0.751 57.3 -77.6 153.8 160.2 -20.0 -5.1 54.0 172 177 A E B > S-l 450 0C 16 471,-0.4 3,-2.3 277,-0.2 5,-0.3 -0.320 76.2 -63.0 -74.8 166.2 -20.0 -8.2 51.8 173 178 A S T 3 S+ 0 0 5 277,-3.2 -1,-0.2 1,-0.3 279,-0.1 -0.224 126.6 12.9 -51.3 129.2 -18.1 -11.3 53.1 174 179 A G T 3 S+ 0 0 5 -3,-0.1 -1,-0.3 1,-0.1 470,-0.1 0.492 84.8 123.3 81.8 1.9 -14.4 -10.5 53.5 175 180 A A S < S- 0 0 0 -3,-2.3 469,-0.6 468,-0.1 -56,-0.2 0.713 90.1 -95.5 -69.1 -17.7 -14.8 -6.7 53.1 176 181 A G S > S+ 0 0 11 -4,-0.3 4,-1.8 467,-0.2 5,-0.2 0.710 76.9 139.3 111.9 26.1 -13.1 -6.3 56.5 177 182 A K H > S+ 0 0 12 -5,-0.3 4,-2.8 2,-0.2 5,-0.2 0.988 77.0 43.9 -62.8 -60.9 -15.9 -6.0 59.1 178 183 A T H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 112.2 53.3 -51.8 -47.2 -14.3 -8.1 61.8 179 184 A E H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 113.4 43.3 -56.8 -44.6 -10.9 -6.5 61.4 180 185 A N H X S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.874 108.8 57.4 -70.7 -35.9 -12.4 -3.1 61.8 181 186 A T H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.940 105.6 53.1 -58.1 -46.6 -14.5 -4.2 64.7 182 187 A K H X S+ 0 0 53 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.937 108.9 46.7 -54.0 -53.7 -11.3 -5.3 66.5 183 188 A K H X S+ 0 0 50 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.845 109.3 54.6 -59.8 -37.1 -9.5 -1.9 66.1 184 189 A V H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 112.5 43.1 -64.0 -41.9 -12.5 0.1 67.2 185 190 A I H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.875 113.6 51.5 -71.6 -37.8 -12.7 -1.9 70.4 186 191 A M H X S+ 0 0 26 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.914 110.6 49.4 -65.4 -41.6 -9.0 -1.7 70.9 187 192 A Y H >X S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 4,-0.5 0.920 112.3 45.5 -64.5 -45.9 -9.1 2.0 70.4 188 193 A L H >X S+ 0 0 2 -4,-2.1 4,-1.4 1,-0.2 3,-0.7 0.841 110.7 56.4 -64.9 -33.0 -11.9 2.6 72.9 189 194 A A H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.694 108.9 46.2 -72.3 -19.5 -10.1 0.2 75.3 190 195 A K H << S+ 0 0 79 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.433 120.7 34.0-103.8 -0.2 -6.9 2.3 75.2 191 196 A V H << S+ 0 0 12 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.430 123.0 42.6-127.4 -9.9 -8.5 5.8 75.7 192 197 A A S < S+ 0 0 0 -4,-1.4 51,-3.6 -5,-0.2 -3,-0.1 0.248 79.0 127.0-121.2 8.9 -11.3 5.0 78.0 193 198 A C - 0 0 53 49,-0.2 2,-0.2 -4,-0.2 51,-0.1 -0.375 52.3-131.8 -67.9 150.0 -9.7 2.5 80.4 194 199 A A 0 0 57 49,-0.2 8,-0.1 48,-0.1 -1,-0.1 -0.489 360.0 360.0 -99.7 171.7 -10.1 3.4 84.1 195 200 A V 0 0 202 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.521 360.0 360.0 -96.1 360.0 -7.6 3.6 87.0 196 ! 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 0.0 197 211 A K 0 0 138 0, 0.0 2,-0.3 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 -80.9 -2.6 -14.4 85.5 198 212 A E - 0 0 111 126,-0.1 125,-0.2 127,-0.1 126,-0.1 -0.642 360.0-139.9 -80.9 131.4 -5.9 -12.7 84.6 199 213 A G - 0 0 25 124,-1.0 -1,-0.1 -2,-0.3 0, 0.0 -0.117 27.3 -77.2 -83.7-176.3 -5.5 -9.2 83.1 200 214 A S > - 0 0 53 1,-0.1 4,-1.7 4,-0.0 -1,-0.2 -0.045 54.0 -92.8 -69.1-179.1 -7.4 -6.0 83.6 201 215 A L H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.965 124.6 51.6 -63.7 -52.9 -10.8 -5.4 82.0 202 216 A E H >> S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 3,-1.2 0.956 109.3 50.0 -45.3 -65.6 -9.5 -3.8 78.8 203 217 A D H 3> S+ 0 0 78 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.833 110.4 51.9 -41.6 -43.6 -7.0 -6.6 78.2 204 218 A Q H 3X S+ 0 0 9 -4,-1.7 4,-1.1 -3,-0.3 -1,-0.3 0.838 103.2 55.8 -66.5 -36.7 -9.9 -9.1 78.7 205 219 A I H << S+ 0 0 7 -4,-2.1 4,-0.3 -3,-1.2 3,-0.2 0.910 112.6 44.7 -60.6 -42.3 -12.2 -7.4 76.1 206 220 A I H >< S+ 0 0 51 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.845 111.3 50.9 -70.7 -37.7 -9.4 -7.8 73.6 207 221 A Q H 3X S+ 0 0 43 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.610 92.9 76.4 -77.1 -12.5 -8.6 -11.4 74.6 208 222 A A H 3X S+ 0 0 0 -4,-1.1 4,-1.5 -3,-0.2 -1,-0.2 0.762 89.6 60.6 -68.4 -22.4 -12.3 -12.2 74.2 209 223 A N H <> S+ 0 0 12 -3,-1.0 4,-2.4 -4,-0.3 5,-0.3 0.955 94.1 56.3 -71.6 -52.6 -11.7 -12.1 70.4 210 224 A P H > S+ 0 0 35 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.781 113.1 43.1 -52.3 -29.7 -9.0 -14.9 69.9 211 225 A V H X S+ 0 0 0 -4,-0.8 4,-1.9 2,-0.2 5,-0.3 0.945 112.3 47.3 -84.9 -49.7 -11.3 -17.5 71.5 212 226 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.877 114.8 50.1 -59.1 -34.8 -14.7 -16.7 70.0 213 227 A E H X S+ 0 0 16 -4,-2.4 4,-2.4 2,-0.2 56,-0.4 0.886 104.5 56.9 -71.1 -36.2 -13.0 -16.6 66.6 214 228 A A H < S+ 0 0 3 -4,-0.9 56,-3.2 -5,-0.3 57,-0.3 0.893 121.0 30.1 -60.2 -37.5 -11.3 -19.9 67.2 215 229 A Y H < S+ 0 0 0 -4,-1.9 -2,-0.2 54,-0.2 -1,-0.2 0.695 128.9 39.7 -94.5 -20.9 -14.8 -21.4 67.8 216 230 A G H < S+ 0 0 0 -4,-2.5 12,-2.6 -5,-0.3 2,-0.3 0.462 102.4 70.7-109.6 -2.4 -16.8 -19.1 65.5 217 231 A N E < +M 227 0D 0 -4,-2.4 52,-1.9 10,-0.2 2,-0.3 -0.757 49.1 166.8-114.4 163.0 -14.6 -18.6 62.4 218 232 A A E -M 226 0D 0 8,-1.8 8,-0.6 -2,-0.3 50,-0.2 -0.909 42.8 -84.4-171.0 141.8 -13.6 -21.0 59.6 219 233 A K + 0 0 19 48,-0.4 47,-1.1 -2,-0.3 2,-0.3 -0.129 48.0 178.0 -51.6 147.8 -12.0 -20.7 56.1 220 234 A T - 0 0 1 3,-1.6 45,-0.1 45,-0.2 6,-0.1 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S- 0 0 30 1,-0.1 3,-2.2 -5,-0.0 4,-0.4 -0.661 75.8-178.0-127.3 74.6 0.7 -28.0 73.3 280 294 A P G >> S+ 0 0 67 0, 0.0 3,-2.1 0, 0.0 4,-0.6 0.795 76.8 70.2 -38.3 -46.8 1.8 -31.7 73.5 281 295 A E G 34 S+ 0 0 170 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 0.457 99.3 52.6 -58.3 1.7 1.0 -32.0 77.2 282 296 A L G X> S+ 0 0 10 -3,-2.2 4,-2.2 2,-0.1 3,-2.0 0.596 83.1 81.6-111.8 -18.7 -2.7 -31.7 76.1 283 297 A N H <>>S+ 0 0 27 -3,-2.1 5,-1.8 -4,-0.4 4,-1.4 0.810 97.5 47.7 -56.7 -30.4 -2.8 -34.5 73.4 284 298 A D H 3<5S+ 0 0 136 -4,-0.6 -1,-0.3 3,-0.2 -2,-0.1 0.425 108.0 54.7 -91.2 -1.2 -3.3 -36.9 76.3 285 299 A V H <45S+ 0 0 39 -3,-2.0 -2,-0.2 3,-0.1 -1,-0.2 0.783 122.5 27.5 -95.7 -36.5 -5.9 -34.8 77.9 286 300 A M H <5S- 0 0 1 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.688 104.8-130.3 -94.7 -24.3 -8.1 -34.7 74.8 287 301 A L T <5 + 0 0 42 -4,-1.4 2,-0.3 -5,-0.4 -3,-0.2 0.927 53.8 146.1 74.0 50.1 -6.8 -38.1 73.5 288 302 A V < - 0 0 11 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.890 50.8-128.1-125.1 153.1 -5.9 -36.9 70.0 289 303 A T - 0 0 73 -2,-0.3 2,-3.7 2,-0.2 5,-0.2 -0.810 35.1-116.5 -93.7 129.7 -3.3 -37.6 67.3 290 304 A P S S+ 0 0 63 0, 0.0 2,-0.4 0, 0.0 -15,-0.1 -0.186 85.2 103.0 -62.6 53.9 -1.7 -34.4 66.0 291 305 A D > - 0 0 73 -2,-3.7 3,-1.0 1,-0.1 -2,-0.2 -0.903 47.4-174.1-143.1 108.3 -3.1 -35.0 62.5 292 306 A S G > S+ 0 0 20 -2,-0.4 3,-1.9 -17,-0.3 6,-0.2 0.877 86.0 63.9 -70.7 -38.0 -6.1 -33.0 61.2 293 307 A G G 3 S+ 0 0 26 1,-0.3 -1,-0.3 6,-0.0 6,-0.1 0.431 91.3 75.3 -67.2 7.5 -6.5 -35.0 58.0 294 308 A L G < S+ 0 0 81 -3,-1.0 2,-0.5 -5,-0.2 -1,-0.3 0.642 82.0 70.4 -93.1 -19.3 -7.2 -37.9 60.4 295 309 A Y X> - 0 0 10 -3,-1.9 3,-1.4 -4,-0.2 4,-1.3 -0.887 66.1-149.6-108.9 129.9 -10.7 -36.9 61.4 296 310 A S T 34 S+ 0 0 41 -2,-0.5 4,-0.2 1,-0.3 -1,-0.1 0.720 93.9 64.8 -65.2 -23.2 -13.7 -37.1 59.0 297 311 A F T 34 S+ 0 0 27 45,-0.4 -1,-0.3 1,-0.2 -37,-0.1 0.638 120.6 19.8 -75.5 -12.2 -15.6 -34.2 60.7 298 312 A I T <4 S+ 0 0 0 -3,-1.4 -31,-0.3 -6,-0.2 3,-0.3 0.401 110.2 72.2-135.9 0.8 -12.8 -31.7 59.6 299 313 A N < + 0 0 60 -4,-1.3 -3,-0.1 1,-0.2 -2,-0.1 0.242 65.7 99.2-103.4 14.2 -10.9 -33.4 56.8 300 314 A Q S S+ 0 0 82 -4,-0.2 -1,-0.2 -5,-0.1 -36,-0.1 0.774 97.1 5.3 -71.9 -26.7 -13.6 -33.0 54.1 301 315 A G S S- 0 0 26 1,-0.5 -35,-0.2 -3,-0.3 -38,-0.1 0.180 118.1 -12.0-121.8-121.0 -12.1 -29.9 52.6 302 316 A C - 0 0 38 -37,-1.2 -1,-0.5 -40,-0.3 -35,-0.3 -0.447 41.5-164.3 -83.8 161.5 -8.8 -28.1 53.2 303 317 A L S S+ 0 0 56 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.658 72.1 39.5-114.7 -34.2 -6.6 -28.8 56.2 304 318 A T - 0 0 103 5,-0.0 2,-0.4 -38,-0.0 -1,-0.3 -0.888 65.5-144.4-123.1 151.6 -4.4 -25.7 56.1 305 319 A V B > -N 308 0E 7 3,-0.5 3,-1.5 -2,-0.3 5,-0.1 -0.929 20.8-129.0-114.2 137.1 -4.9 -22.0 55.4 306 320 A D T 3 S+ 0 0 148 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.776 106.2 27.8 -51.9 -38.5 -2.2 -19.9 53.6 307 321 A N T 3 S+ 0 0 116 -3,-0.0 2,-0.4 1,-0.0 -1,-0.3 0.012 104.3 88.1-118.4 27.9 -2.2 -17.1 56.2 308 322 A I B < -N 305 0E 32 -3,-1.5 2,-1.0 4,-0.0 -3,-0.5 -0.979 56.6-159.7-130.1 118.9 -3.2 -18.9 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-1,-0.2 -5,-0.2 -2,-0.2 0.848 125.9 22.3 -87.0 -34.4 -19.8 25.8 72.9 693 720 A Y H >< S+ 0 0 6 -4,-2.4 3,-2.4 -5,-0.2 -2,-0.2 0.366 83.9 100.3-118.8 6.8 -20.0 29.0 70.8 694 721 A S G >< S+ 0 0 30 -4,-2.1 3,-2.7 1,-0.3 6,-0.1 0.922 81.7 67.3 -55.0 -37.3 -21.0 31.9 73.1 695 722 A I G 3 S+ 0 0 16 1,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.617 85.4 69.6 -55.6 -15.1 -17.2 32.6 73.0 696 723 A L G < S+ 0 0 23 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.493 119.7 15.9 -84.0 -1.8 -17.7 33.5 69.3 697 724 A A X + 0 0 14 -3,-2.7 3,-0.9 -4,-0.2 -1,-0.3 -0.316 66.3 161.6-166.1 66.2 -19.6 36.6 70.4 698 725 A P T 3 + 0 0 28 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.731 50.3 110.7 -63.4 -20.0 -18.9 37.3 74.1 699 726 A N T 3 S+ 0 0 140 -5,-0.1 -4,-0.1 -4,-0.1 -5,-0.0 0.704 76.1 41.1 -18.8 -56.9 -20.2 40.7 73.1 700 727 A A < + 0 0 63 -3,-0.9 -3,-0.0 -6,-0.1 -6,-0.0 0.340 58.7 120.5 -77.9-149.3 -23.4 40.1 75.2 701 728 A I 0 0 114 1,-0.1 -1,-0.0 0, 0.0 -2,-0.0 0.946 360.0 360.0 87.3 68.5 -23.7 38.5 78.7 702 729 A P 0 0 177 0, 0.0 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106.9 51.2 -69.9 -44.4 -29.9 33.3 67.6 713 741 A K H X S+ 0 0 144 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.859 110.5 49.8 -60.6 -38.2 -27.8 36.3 68.7 714 742 A I H X S+ 0 0 5 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.954 114.8 41.3 -67.6 -50.5 -24.6 34.5 68.0 715 743 A L H <>S+ 0 0 0 -4,-1.7 5,-1.8 2,-0.2 3,-0.3 0.886 117.9 48.6 -63.6 -40.7 -25.5 33.4 64.5 716 744 A A H ><5S+ 0 0 46 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.976 113.7 45.9 -62.4 -55.3 -27.1 36.7 63.7 717 745 A G H 3<5S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.585 105.1 62.6 -65.2 -10.9 -24.1 38.6 65.0 718 746 A L T 3<5S- 0 0 36 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.473 107.8-123.4 -92.8 -1.6 -21.7 36.4 63.1 719 747 A Q T < 5 + 0 0 168 -3,-1.9 2,-0.5 -4,-0.2 -3,-0.2 0.883 44.8 178.5 62.5 39.5 -23.2 37.5 59.8 720 748 A M < - 0 0 29 -5,-1.8 -1,-0.2 -4,-0.1 5,-0.1 -0.668 38.3-107.8 -81.2 122.3 -24.1 33.8 58.9 721 749 A D > - 0 0 85 -2,-0.5 3,-2.3 1,-0.2 4,-0.4 -0.229 24.1-133.7 -47.2 116.6 -25.8 33.5 55.6 722 750 A P G > S+ 0 0 99 0, 0.0 3,-0.5 0, 0.0 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27.0-123.7 -75.3 140.6 -0.8 45.0 73.0 997 45 Z R >> - 0 0 26 -2,-0.2 4,-1.7 1,-0.1 3,-0.8 -0.465 27.3-113.3 -76.2 154.5 -0.1 41.6 71.4 998 46 Z N H 3> S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.773 116.7 63.2 -60.3 -25.7 3.2 41.4 69.6 999 47 Z E H 3> S+ 0 0 97 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.867 103.8 46.8 -66.8 -37.0 1.2 41.0 66.3 1000 48 Z D H <> S+ 0 0 21 -3,-0.8 4,-2.4 2,-0.2 3,-0.3 0.965 109.7 51.6 -68.8 -53.2 -0.3 44.5 66.8 1001 49 Z V H <>S+ 0 0 6 -4,-1.7 5,-2.6 1,-0.3 -2,-0.2 0.826 109.1 50.8 -55.3 -35.2 3.0 46.2 67.6 1002 50 Z F H ><5S+ 0 0 78 -4,-1.6 3,-1.2 3,-0.2 -1,-0.3 0.884 109.7 53.1 -69.9 -35.6 4.6 44.7 64.5 1003 51 Z A H 3<5S+ 0 0 81 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.1 0.989 104.7 51.5 -60.1 -61.9 1.7 46.0 62.6 1004 52 Z V T 3<5S- 0 0 49 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.342 136.5 -81.7 -61.1 10.2 1.9 49.6 63.8 1005 53 Z G T < 5S+ 0 0 27 -3,-1.2 -3,-0.2 1,-0.3 -1,-0.1 0.206 76.3 153.3 113.2 -19.6 5.6 49.6 62.8 1006 54 Z G < - 0 0 8 -5,-2.6 -1,-0.3 -6,-0.2 -23,-0.2 -0.115 36.0-132.4 -48.7 138.1 7.4 47.8 65.6 1007 55 Z T - 0 0 17 -25,-0.4 -22,-0.1 6,-0.2 -1,-0.1 -0.420 8.0-126.8 -91.8 167.8 10.7 46.1 64.7 1008 56 Z H S S+ 0 0 121 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.663 85.6 19.8 -88.8 -18.9 11.9 42.6 65.5 1009 57 Z K S > S- 0 0 127 4,-0.0 3,-1.3 0, 0.0 4,-0.3 -0.997 87.0 -87.3-152.6 153.7 15.3 43.5 67.0 1010 58 Z M T 3 S+ 0 0 81 -2,-0.3 4,-0.1 1,-0.2 -2,-0.0 -0.263 105.8 30.1 -57.9 140.3 17.3 46.4 68.5 1011 59 Z G T 3 S+ 0 0 68 2,-0.2 -1,-0.2 -4,-0.0 3,-0.1 0.294 86.4 101.1 95.4 -9.6 19.1 48.6 66.0 1012 60 Z E S < S- 0 0 103 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.939 93.5 -7.3 -75.0 -46.9 16.8 48.3 63.0 1013 61 Z K - 0 0 81 -4,-0.3 -31,-3.7 2,-0.0 -30,-0.3 -0.989 57.7-150.5-154.4 142.0 14.9 51.6 63.3 1014 62 Z S E -Y 981 0L 70 -2,-0.3 -33,-0.2 -33,-0.3 -35,-0.0 -0.675 15.8-142.9-106.3 164.0 14.6 54.5 65.8 1015 63 Z L E -Y 980 0L 7 -35,-2.3 -35,-0.9 -2,-0.2 2,-0.0 -0.975 3.8-141.4-137.7 126.5 11.5 56.7 66.3 1016 64 Z P E > -Y 979 0L 51 0, 0.0 4,-1.2 0, 0.0 3,-0.2 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113.1 37.9 -78.1 -51.9 -2.9 52.5 66.8 1027 75 Z L H >< S+ 0 0 2 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.727 103.2 77.4 -69.1 -22.5 -2.3 50.0 69.7 1028 76 Z M H 3< S+ 0 0 60 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.840 97.0 42.9 -55.9 -38.2 -4.7 52.1 71.8 1029 77 Z D T << S+ 0 0 97 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.473 87.3 112.2 -92.3 -3.3 -7.8 50.7 70.1 1030 78 Z C S < S- 0 0 50 -3,-1.0 2,-0.3 -4,-0.3 -35,-0.1 -0.099 78.9 -82.3 -64.0 170.3 -6.9 47.1 69.9 1031 79 Z E - 0 0 90 1,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.549 39.3-158.6 -79.1 135.9 -8.8 44.5 71.9 1032 80 Z Q - 0 0 104 -2,-0.3 -275,-0.1 -3,-0.1 -276,-0.1 -0.933 27.6-105.3-112.8 139.1 -7.9 43.8 75.5 1033 81 Z G - 0 0 5 -2,-0.4 2,-0.3 -38,-0.2 -1,-0.1 -0.061 31.1-148.9 -56.0 159.9 -8.8 40.6 77.3 1034 82 Z T > - 0 0 61 1,-0.1 4,-2.5 -281,-0.0 5,-0.2 -0.913 28.0-108.3-127.3 157.8 -11.6 40.6 79.8 1035 83 Z F H > S+ 0 0 79 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.954 120.0 50.2 -50.0 -53.7 -12.0 38.4 82.8 1036 84 Z A H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.868 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63 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.769 103.5 63.3 -69.8 -26.7 -5.2 41.6 85.7 1102 150 Z A H << S- 0 0 59 -4,-1.7 -1,-0.2 -3,-0.6 3,-0.2 0.710 103.2-131.6 -72.3 -21.5 -4.7 43.4 89.0 1103 151 Z G << - 0 0 14 -4,-1.0 -1,-0.1 -3,-0.7 -339,-0.1 -0.023 32.2 -64.6 90.5 164.0 -1.2 44.7 88.1 1104 152 Z P S S+ 0 0 19 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.745 128.8 49.9 -58.3 -27.9 2.2 44.6 89.9 1105 153 Z Y S S+ 0 0 129 -3,-0.2 -337,-0.0 1,-0.1 -2,-0.0 -0.679 71.3 150.1-120.4 81.2 0.8 47.0 92.6 1106 154 Z P 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.841 360.0 360.0 -69.9-113.4 -2.5 45.7 93.9 1107 155 Z D 0 0 216 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.072 360.0 360.0 142.9 360.0 -3.6 46.4 97.5