==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 20-JAN-04 1S5G . COMPND 2 MOLECULE: MYOSIN HEAVY CHAIN, STRIATED MUSCLE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARGOPECTEN IRRADIANS; . AUTHOR D.RISAL,S.GOURINATH,D.M.HIMMEL,A.G.SZENT-GYORGYI,C.COHEN . 1099 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 747 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 7.5 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 1 0.1 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 407 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.4 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 1 2 2 6 3 5 5 3 3 3 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 3 1 1 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 0 PARALLEL BRIDGES PER LADDER . 4 8 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 2 1 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 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 3 A I 0 0 187 0, 0.0 2,-0.3 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0-168.4 22.6 -4.1 20.3 2 4 A D + 0 0 73 140,-0.1 140,-0.0 1,-0.0 0, 0.0 -0.991 360.0 144.6-155.8 149.2 20.7 -0.7 20.2 3 5 A F S S- 0 0 172 -2,-0.3 -1,-0.0 9,-0.0 9,-0.0 0.349 73.1 -26.2-141.2 -88.4 21.3 3.0 20.1 4 6 A S S S+ 0 0 93 10,-0.0 10,-0.0 0, 0.0 -2,-0.0 0.359 75.9 148.8-124.3 -3.1 19.5 5.9 18.4 5 7 A D > - 0 0 33 1,-0.1 3,-1.6 2,-0.1 0, 0.0 -0.018 51.4-129.2 -39.5 126.0 18.1 4.0 15.4 6 8 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.858 103.7 64.2 -48.0 -44.8 14.7 5.6 14.3 7 9 A D G > S+ 0 0 39 1,-0.3 3,-0.5 2,-0.1 120,-0.1 0.806 96.4 59.8 -53.6 -30.5 12.9 2.3 14.3 8 10 A F G X> S+ 0 0 19 -3,-1.6 4,-1.6 1,-0.2 3,-0.7 0.074 73.4 107.9 -85.8 25.8 13.4 2.1 18.1 9 11 A Q G <4 S+ 0 0 126 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.952 89.5 28.1 -68.6 -48.0 11.5 5.4 18.6 10 12 A Y G <4 S+ 0 0 60 -3,-0.5 96,-0.4 -4,-0.2 -1,-0.2 0.006 123.8 53.3-101.5 28.8 8.4 3.8 20.1 11 13 A L T <4 S+ 0 0 5 -3,-0.7 2,-0.2 1,-0.4 -2,-0.2 0.653 111.2 25.5-123.3 -52.0 10.3 0.8 21.6 12 14 A A < - 0 0 28 -4,-1.6 -1,-0.4 131,-0.1 2,-0.3 -0.585 68.6-153.0-108.2 174.0 13.2 2.1 23.6 13 15 A V - 0 0 63 -2,-0.2 2,-1.0 -3,-0.1 -3,-0.0 -0.904 42.7 -67.4-141.7 167.2 13.5 5.4 25.4 14 16 A D > - 0 0 110 -2,-0.3 4,-2.6 1,-0.2 3,-0.3 -0.445 39.7-169.9 -63.5 99.1 16.5 7.6 26.4 15 17 A R T 4 S+ 0 0 90 -2,-1.0 -1,-0.2 1,-0.3 0, 0.0 0.702 92.9 49.8 -61.6 -18.0 18.2 5.6 29.1 16 18 A K T 4 S+ 0 0 74 2,-0.2 4,-0.4 1,-0.1 -1,-0.3 0.760 109.2 48.5 -90.0 -30.9 20.2 8.7 29.7 17 19 A K T >4 S+ 0 0 60 -3,-0.3 3,-0.5 1,-0.2 -2,-0.2 0.785 110.0 51.4 -78.0 -29.4 17.1 11.0 29.8 18 20 A L T 3< S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.567 105.7 62.1 -79.4 -8.7 15.5 8.6 32.3 19 21 A M T 3 0 0 76 -5,-0.3 -2,-0.2 56,-0.0 -1,-0.2 0.650 360.0 360.0 -89.5 -19.9 18.8 9.0 34.0 20 22 A K < 0 0 127 -3,-0.5 -3,-0.0 -4,-0.4 -4,-0.0 -0.548 360.0 360.0 -70.7 360.0 18.4 12.8 34.7 21 ! 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 22 28 A F 0 0 127 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.4 14.7 8.4 47.1 23 29 A D >> - 0 0 50 1,-0.1 4,-3.3 50,-0.0 3,-0.7 -0.909 360.0-157.2-109.4 113.8 14.4 6.8 50.6 24 30 A G T 34 S+ 0 0 34 -2,-0.6 47,-0.2 1,-0.2 -1,-0.1 0.850 94.4 54.7 -54.2 -37.5 13.3 3.2 50.8 25 31 A K T 34 S+ 0 0 126 1,-0.2 -1,-0.2 716,-0.0 17,-0.1 0.821 121.1 27.9 -67.8 -32.7 12.1 3.7 54.3 26 32 A K T <4 S+ 0 0 30 -3,-0.7 16,-2.7 15,-0.1 2,-0.3 0.726 103.8 82.0-102.9 -26.4 9.8 6.6 53.5 27 33 A N E < +A 41 0A 22 -4,-3.3 44,-0.6 14,-0.2 2,-0.3 -0.647 57.2 128.5 -85.5 137.7 8.8 6.1 49.9 28 34 A C E -AB 40 70A 5 12,-1.6 12,-1.8 -2,-0.3 2,-0.4 -0.985 53.4 -88.2-171.2 174.0 5.9 3.8 49.1 29 35 A W E -AB 39 69A 27 40,-3.5 40,-2.2 -2,-0.3 10,-0.2 -0.797 34.3-171.2-101.2 142.1 2.6 3.2 47.3 30 36 A V E -A 38 0A 0 8,-2.0 8,-1.2 -2,-0.4 2,-0.4 -0.939 32.5-100.6-128.9 149.7 -0.7 4.0 48.9 31 37 A P E -A 37 0A 54 0, 0.0 2,-0.4 0, 0.0 6,-0.3 -0.574 39.8-175.9 -74.5 128.3 -4.2 3.1 47.7 32 38 A D E > -A 36 0A 40 4,-2.8 4,-1.1 -2,-0.4 -2,-0.0 -0.987 25.9-139.1-123.1 135.5 -5.9 6.1 46.0 33 39 A E T 4 S+ 0 0 169 -2,-0.4 621,-0.1 1,-0.2 -1,-0.1 0.801 102.2 35.1 -64.2 -30.6 -9.5 5.9 44.8 34 40 A K T 4 S+ 0 0 164 1,-0.1 619,-0.4 619,-0.1 620,-0.2 0.755 128.0 33.2 -95.5 -25.9 -8.9 7.7 41.5 35 41 A E T 4 S- 0 0 70 1,-0.2 2,-2.4 618,-0.1 -2,-0.2 0.191 95.6-124.4-115.6 18.4 -5.4 6.5 40.7 36 42 A G E < S+A 32 0A 17 -4,-1.1 -4,-2.8 -5,-0.1 2,-0.2 -0.525 88.5 6.5 75.1 -81.4 -5.3 2.9 42.0 37 43 A F E S-A 31 0A 16 -2,-2.4 2,-0.3 -6,-0.3 616,-0.1 -0.608 73.1-146.3-120.7-176.2 -2.3 3.7 44.1 38 44 A A E -A 30 0A 11 -8,-1.2 -8,-2.0 -2,-0.2 2,-0.3 -0.995 22.3-107.9-154.6 150.4 -0.2 6.8 44.9 39 45 A S E +A 29 0A 43 -2,-0.3 16,-0.5 -10,-0.2 2,-0.3 -0.600 47.8 175.0 -77.2 139.1 3.3 7.8 45.7 40 46 A A E -A 28 0A 0 -12,-1.8 -12,-1.6 -2,-0.3 2,-0.6 -0.999 32.6-143.4-151.9 148.2 3.8 8.7 49.3 41 47 A E E -AC 27 53A 95 12,-2.7 12,-2.2 -2,-0.3 -14,-0.2 -0.955 35.3-121.0-113.0 115.5 6.4 9.7 51.9 42 48 A I E - C 0 52A 55 -16,-2.7 10,-0.3 -2,-0.6 3,-0.1 -0.237 30.0-179.9 -55.9 138.3 5.8 8.2 55.3 43 49 A Q E - 0 0 74 8,-3.5 9,-0.2 1,-0.4 2,-0.2 0.748 55.8 -24.7-101.7 -83.8 5.4 10.7 58.1 44 50 A S E - 0 0 66 7,-0.5 7,-1.3 2,-0.0 -1,-0.4 -0.491 53.2-137.3-121.2-169.4 4.8 8.9 61.4 45 51 A S E - C 0 50A 78 5,-0.2 5,-0.2 -2,-0.2 3,-0.0 -0.986 15.6-179.7-153.0 147.1 3.4 5.6 62.7 46 52 A K S S- 0 0 177 3,-1.2 2,-0.9 -2,-0.3 3,-0.4 -0.283 72.6 -68.7-145.4 51.1 1.2 4.5 65.6 47 53 A G S S- 0 0 65 1,-0.2 3,-0.0 2,-0.1 0, 0.0 -0.742 121.3 -7.5 104.9 -87.2 1.0 0.7 65.3 48 54 A D S S+ 0 0 99 -2,-0.9 17,-1.5 17,-0.1 2,-1.3 0.303 118.6 98.4-118.6 -8.8 -0.9 -0.1 62.1 49 55 A E E + D 0 64A 109 -3,-0.4 -3,-1.2 15,-0.2 2,-0.5 -0.676 51.0 169.5 -87.8 86.3 -1.6 3.6 61.9 50 56 A I E -CD 45 63A 25 -2,-1.3 13,-3.6 13,-1.3 2,-0.4 -0.874 15.8-160.4-102.0 130.2 0.9 5.0 59.4 51 57 A T E + D 0 62A 26 -7,-1.3 -8,-3.5 -2,-0.5 -7,-0.5 -0.869 16.8 173.8-109.8 143.8 0.4 8.5 58.2 52 58 A V E -CD 42 61A 0 9,-1.6 9,-0.7 -2,-0.4 2,-0.4 -0.845 29.6-114.0-142.7 178.7 2.0 9.9 55.0 53 59 A K E -C 41 0A 29 -12,-2.2 -12,-2.7 -2,-0.3 2,-0.7 -0.949 21.8-139.6-119.4 137.6 2.4 12.7 52.5 54 60 A I >> - 0 0 9 5,-0.4 4,-3.7 -2,-0.4 3,-0.5 -0.869 9.1-146.4-100.9 111.9 1.3 12.5 48.9 55 61 A V T 34 S+ 0 0 85 -2,-0.7 -1,-0.1 -16,-0.5 -15,-0.1 0.814 93.6 54.5 -42.6 -44.8 3.8 14.1 46.5 56 62 A A T 34 S+ 0 0 99 -17,-0.3 -1,-0.2 1,-0.2 -16,-0.1 0.910 129.5 10.7 -62.7 -48.6 1.1 15.3 44.1 57 63 A D T <4 S- 0 0 98 -3,-0.5 -2,-0.2 2,-0.0 -1,-0.2 0.508 89.9-134.1-110.2 -6.1 -1.2 17.2 46.5 58 64 A S < + 0 0 97 -4,-3.7 -3,-0.1 1,-0.1 -2,-0.1 0.444 60.7 131.2 69.2 1.6 1.1 17.3 49.6 59 65 A S - 0 0 49 -5,-0.3 -5,-0.4 -6,-0.1 2,-0.3 0.460 50.3-118.6 -64.3-153.9 -1.8 16.3 51.8 60 66 A T + 0 0 98 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.984 28.0 165.1-154.8 150.1 -2.1 13.6 54.5 61 67 A R E -D 52 0A 71 -9,-0.7 -9,-1.6 -2,-0.3 2,-0.4 -0.940 34.3-117.5-161.3 151.7 -4.2 10.4 55.1 62 68 A T E -D 51 0A 75 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.840 32.2-174.3-101.0 136.3 -3.7 7.5 57.6 63 69 A V E -D 50 0A 15 -13,-3.6 -13,-1.3 -2,-0.4 5,-0.1 -0.986 31.0-108.6-138.0 130.7 -3.2 4.0 56.1 64 70 A K E >> -D 49 0A 35 -2,-0.4 3,-2.3 -15,-0.2 4,-0.8 -0.262 34.3-124.2 -52.4 128.1 -3.0 0.6 57.7 65 71 A K G >4 S+ 0 0 33 -17,-1.5 3,-2.0 1,-0.3 -1,-0.1 0.878 111.8 53.3 -41.6 -55.4 0.6 -0.6 57.4 66 72 A D G 34 S+ 0 0 128 1,-0.3 -1,-0.3 -18,-0.0 -2,-0.1 0.749 100.8 64.4 -56.6 -21.6 -0.2 -3.8 55.6 67 73 A D G <4 S+ 0 0 80 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.801 85.9 94.3 -69.0 -30.8 -2.1 -1.5 53.1 68 74 A I << - 0 0 32 -3,-2.0 2,-0.4 -4,-0.8 -38,-0.2 -0.408 64.0-154.3 -69.0 135.9 1.2 0.0 52.2 69 75 A Q E -B 29 0A 30 -40,-2.2 -40,-3.5 -2,-0.1 -2,-0.1 -0.920 22.4-104.7-116.4 139.4 3.1 -1.3 49.2 70 76 A S E -B 28 0A 48 -2,-0.4 2,-0.3 -42,-0.2 22,-0.2 -0.254 32.0-141.3 -59.3 139.3 6.8 -1.2 48.5 71 77 A M - 0 0 19 -44,-0.6 -44,-0.1 -47,-0.2 -1,-0.1 -0.778 12.2-124.9-104.8 147.4 8.1 1.3 45.9 72 78 A N - 0 0 19 -2,-0.3 13,-0.0 1,-0.1 -44,-0.0 -0.636 28.0-105.2 -92.1 149.7 10.9 0.6 43.4 73 79 A P > - 0 0 30 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.231 33.7-108.6 -64.9 158.9 14.0 2.8 43.0 74 80 A P G > S+ 0 0 79 0, 0.0 3,-1.6 0, 0.0 -2,-0.0 0.821 113.7 84.1 -58.9 -26.6 14.1 5.2 40.0 75 81 A K G 3 S+ 0 0 137 1,-0.3 -57,-0.0 -56,-0.0 -56,-0.0 0.674 90.4 50.4 -47.5 -20.1 16.8 2.7 38.9 76 82 A F G X S+ 0 0 25 -3,-2.3 3,-0.7 3,-0.1 2,-0.3 -0.257 75.2 142.4-117.5 45.0 13.8 0.6 37.6 77 83 A E T < S- 0 0 69 -3,-1.6 3,-0.1 1,-0.3 -59,-0.1 -0.688 80.9 -7.1 -86.5 140.0 11.8 3.2 35.6 78 84 A K T 3 S- 0 0 51 -2,-0.3 -1,-0.3 1,-0.2 -65,-0.1 0.819 88.7-172.0 46.0 36.9 10.2 1.8 32.4 79 85 A L < - 0 0 41 -3,-0.7 3,-0.3 1,-0.1 -1,-0.2 -0.384 24.4-135.6 -61.6 134.2 12.0 -1.4 33.0 80 86 A E S S+ 0 0 76 1,-0.2 29,-2.8 -3,-0.1 2,-0.4 0.838 92.2 29.7 -61.2 -36.4 11.6 -3.7 30.0 81 87 A D B > -e 109 0B 36 27,-0.2 3,-2.0 29,-0.1 4,-0.3 -0.880 64.0-160.7-133.1 105.0 10.9 -6.8 32.1 82 88 A M T 3 S+ 0 0 0 27,-1.6 28,-0.2 -2,-0.4 -1,-0.1 0.454 81.6 85.9 -59.7 -1.6 9.2 -6.4 35.5 83 89 A A T 3 S+ 0 0 46 1,-0.2 -1,-0.3 28,-0.1 27,-0.1 0.612 92.9 46.7 -75.6 -9.8 10.5 -9.9 36.5 84 90 A N S < S+ 0 0 108 -3,-2.0 -1,-0.2 594,-0.1 -2,-0.2 0.650 80.9 116.8-104.5 -20.6 13.7 -8.1 37.5 85 91 A M - 0 0 8 -4,-0.3 593,-0.1 1,-0.1 3,-0.0 -0.211 69.0-129.5 -51.6 136.2 12.3 -5.2 39.5 86 92 A T S S+ 0 0 15 1,-0.2 2,-0.6 -13,-0.1 648,-0.5 0.918 100.3 41.1 -53.7 -49.1 13.3 -5.4 43.2 87 93 A Y S S- 0 0 35 646,-0.1 2,-0.7 649,-0.1 -1,-0.2 -0.921 75.4-169.2-107.3 118.9 9.7 -5.0 44.4 88 94 A L + 0 0 37 -2,-0.6 2,-0.3 -5,-0.1 -18,-0.0 -0.854 32.6 115.5-111.3 96.8 7.2 -7.0 42.3 89 95 A N S > S- 0 0 21 -2,-0.7 4,-2.7 -19,-0.1 5,-0.4 -0.913 75.9 -74.5-152.7 179.8 3.6 -6.1 43.0 90 96 A E H > S+ 0 0 77 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.890 129.2 32.6 -37.7 -56.9 0.2 -4.7 42.1 91 97 A A H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.912 115.5 52.9 -73.8 -48.8 1.5 -1.2 42.3 92 98 A S H > S+ 0 0 2 -22,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.776 117.0 44.5 -61.6 -22.3 5.1 -1.6 41.1 93 99 A V H X S+ 0 0 3 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.925 111.7 48.8 -84.1 -52.0 3.6 -3.3 38.1 94 100 A L H X S+ 0 0 4 -4,-2.4 4,-2.0 -5,-0.4 5,-0.3 0.849 115.0 48.9 -55.4 -35.2 0.8 -0.8 37.5 95 101 A Y H X S+ 0 0 77 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.996 107.5 50.0 -67.8 -64.2 3.4 1.9 37.7 96 102 A N H X S+ 0 0 1 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.663 113.3 54.6 -49.4 -15.8 6.0 0.3 35.4 97 103 A L H X S+ 0 0 6 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.944 110.7 34.8 -88.2 -55.9 3.0 -0.0 33.0 98 104 A R H X S+ 0 0 53 -4,-2.0 4,-3.5 2,-0.2 5,-0.3 0.932 114.3 61.9 -65.1 -38.7 1.5 3.4 32.6 99 105 A S H X S+ 0 0 15 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.945 112.0 36.1 -47.6 -57.5 4.9 4.9 32.8 100 106 A R H ><>S+ 0 0 6 -4,-0.8 5,-2.6 -5,-0.3 3,-1.3 0.953 116.3 54.3 -62.8 -48.5 6.0 3.0 29.7 101 107 A Y H ><5S+ 0 0 13 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.842 106.1 51.7 -55.3 -37.8 2.7 3.4 28.0 102 108 A T H 3<5S+ 0 0 89 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.714 105.4 55.8 -73.7 -19.2 2.6 7.2 28.4 103 109 A S T <<5S- 0 0 45 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.384 132.3 -95.7 -90.4 2.9 6.1 7.4 26.9 104 110 A G T < 5S+ 0 0 5 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.351 84.1 134.1 100.4 -4.5 4.6 5.5 23.9 105 111 A L < + 0 0 3 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.587 19.0 162.7 -81.9 138.7 5.6 2.0 25.0 106 112 A I + 0 0 8 -96,-0.4 11,-2.0 -2,-0.3 2,-0.7 0.476 55.2 75.3-131.4 -11.0 3.1 -0.8 24.8 107 113 A Y E + F 0 116B 6 37,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.921 55.8 165.9-110.3 111.1 5.0 -4.0 24.9 108 114 A T E - F 0 115B 0 7,-2.6 7,-1.5 -2,-0.7 -27,-0.2 -0.986 25.4-139.4-126.6 132.1 6.3 -4.8 28.4 109 115 A Y E +eF 81 114B 10 -29,-2.8 -27,-1.6 -2,-0.4 5,-0.2 -0.390 22.2 171.9 -84.2 167.6 7.7 -8.1 29.6 110 116 A S E > - F 0 113B 12 3,-0.8 3,-0.7 1,-0.5 2,-0.5 -0.147 67.8 -65.8-170.2 51.6 6.9 -9.7 33.0 111 117 A G T 3 S- 0 0 33 1,-0.2 -1,-0.5 2,-0.1 -28,-0.1 -0.819 116.7 -7.9 95.4-130.8 8.4 -13.2 32.8 112 118 A L T 3 S+ 0 0 48 -2,-0.5 524,-0.9 -3,-0.1 -1,-0.2 0.797 120.6 89.3 -71.3 -28.4 6.7 -15.5 30.3 113 119 A F E < -F 110 0B 4 -3,-0.7 -3,-0.8 522,-0.1 524,-0.2 -0.060 60.7-158.9 -63.7 169.3 4.0 -12.9 29.7 114 120 A C E -F 109 0B 0 522,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.589 17.2-156.1-153.0 76.9 4.2 -10.2 27.1 115 121 A I E -F 108 0B 0 -7,-1.5 -7,-2.6 522,-0.2 2,-0.5 -0.426 8.4-167.7 -63.9 120.8 1.8 -7.5 28.2 116 122 A A E -Fg 107 639B 5 522,-2.4 524,-2.1 -2,-0.3 2,-0.5 -0.931 7.3-154.1-119.9 113.4 0.6 -5.2 25.3 117 123 A V E - g 0 640B 9 -11,-2.0 524,-0.2 -2,-0.5 522,-0.1 -0.718 32.1-105.6 -87.2 125.3 -1.3 -2.0 26.1 118 124 A N - 0 0 20 522,-2.3 -1,-0.1 -2,-0.5 57,-0.1 -0.233 26.6-159.4 -51.9 122.2 -3.7 -0.8 23.3 119 125 A P - 0 0 24 0, 0.0 530,-0.2 0, 0.0 -1,-0.1 0.892 9.4-152.5 -71.0 -44.9 -2.2 2.2 21.5 120 126 A Y S S+ 0 0 55 1,-0.1 2,-0.2 528,-0.1 -2,-0.1 0.811 77.4 64.7 68.4 29.7 -5.5 3.6 20.0 121 127 A R S S- 0 0 117 526,-0.1 -1,-0.1 2,-0.0 2,-0.0 -0.819 95.8-100.1-176.0 137.6 -3.2 5.0 17.2 122 128 A R - 0 0 174 -2,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.354 40.1-150.2 -66.6 147.3 -1.1 3.2 14.6 123 129 A L > - 0 0 21 -2,-0.0 3,-1.1 1,-0.0 2,-0.3 -0.942 24.2-124.6-128.4 148.0 2.6 2.9 15.3 124 130 A P T 3 S+ 0 0 70 0, 0.0 3,-0.4 0, 0.0 -115,-0.1 0.096 89.7 94.6 -70.1 23.4 5.8 2.8 13.3 125 131 A I T 3 + 0 0 2 -2,-0.3 2,-0.0 1,-0.2 -3,-0.0 0.753 69.5 63.9 -88.3 -27.4 6.7 -0.5 15.0 126 132 A Y S < S+ 0 0 47 -3,-1.1 -1,-0.2 4,-0.1 2,-0.2 -0.042 73.6 129.3 -92.2 34.2 5.4 -2.9 12.5 127 133 A T > - 0 0 56 -3,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.527 68.0-114.8 -89.0 155.6 7.6 -2.1 9.5 128 134 A D H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.885 115.7 51.4 -52.1 -48.4 9.6 -4.6 7.5 129 135 A S H > S+ 0 0 56 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.932 110.5 49.3 -58.7 -45.4 13.0 -3.2 8.5 130 136 A V H >> S+ 0 0 1 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.961 106.5 57.0 -55.7 -50.5 11.9 -3.5 12.2 131 137 A I H >X S+ 0 0 7 -4,-2.8 4,-0.7 1,-0.3 3,-0.6 0.851 105.0 53.7 -46.2 -40.9 10.8 -7.1 11.4 132 138 A A H 3< S+ 0 0 66 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.754 102.5 53.4 -71.2 -29.3 14.4 -7.7 10.2 133 139 A K H << S+ 0 0 57 -3,-1.3 -1,-0.2 -4,-1.2 -2,-0.2 0.592 108.8 51.3 -83.9 -7.2 16.2 -6.6 13.4 134 140 A Y H X< S+ 0 0 0 -4,-0.9 3,-1.7 -3,-0.6 -1,-0.2 0.628 81.0 118.7 -97.1 -17.3 14.0 -8.9 15.5 135 141 A R T 3< S- 0 0 97 -4,-0.7 13,-0.1 1,-0.3 -3,-0.0 -0.285 92.6 -11.9 -53.9 118.0 14.8 -11.9 13.3 136 142 A G T 3 S+ 0 0 46 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.428 99.3 132.6 71.2 2.7 16.6 -14.5 15.4 137 143 A K < - 0 0 59 -3,-1.7 -1,-0.2 1,-0.1 15,-0.1 -0.679 54.8-123.1 -91.9 138.9 17.3 -12.4 18.4 138 144 A R - 0 0 35 -2,-0.3 3,-0.3 1,-0.1 -1,-0.1 -0.112 29.7-107.6 -66.1 173.4 16.6 -13.5 22.0 139 145 A K S > S+ 0 0 47 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.806 118.1 52.9 -76.5 -31.3 14.2 -11.3 24.2 140 146 A T T 3 S+ 0 0 139 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.548 101.3 66.9 -79.9 -5.8 16.9 -9.9 26.5 141 147 A E T 3 S+ 0 0 104 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.318 110.4 15.9 -96.2 7.1 18.8 -8.9 23.3 142 148 A I S < S- 0 0 4 -3,-1.0 3,-0.1 -5,-0.1 -1,-0.1 -0.956 94.6 -63.6-174.2 153.7 16.2 -6.3 22.2 143 149 A P - 0 0 0 0, 0.0 5,-0.2 0, 0.0 -131,-0.1 -0.025 65.9 -87.1 -45.0 139.2 13.2 -4.1 23.3 144 150 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -37,-0.3 -0.258 66.0 156.9 -51.0 125.4 10.0 -5.8 24.4 145 151 A H >> - 0 0 0 -3,-0.1 4,-0.8 1,-0.1 3,-0.8 -0.990 54.1-124.0-154.1 150.5 7.9 -6.4 21.2 146 152 A L H >> S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 3,-1.4 0.931 109.9 64.8 -58.9 -46.7 5.2 -8.7 20.0 147 153 A F H 3> S+ 0 0 0 1,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.788 96.8 56.8 -46.8 -34.7 7.4 -9.7 17.1 148 154 A S H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -1,-0.3 0.849 102.8 52.2 -71.5 -32.8 9.8 -11.3 19.6 149 155 A V H << S+ 0 0 2 -3,-1.4 4,-0.3 -4,-0.8 -1,-0.2 0.913 116.9 41.7 -66.3 -39.8 7.2 -13.6 21.1 150 156 A A H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.915 119.7 41.9 -72.2 -46.9 6.4 -14.7 17.5 151 157 A D H X S+ 0 0 2 -4,-3.4 4,-2.7 2,-0.2 5,-0.4 0.979 113.1 50.7 -65.7 -56.2 10.0 -14.9 16.3 152 158 A N H < S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.725 111.2 55.1 -54.2 -17.8 11.3 -16.5 19.5 153 159 A A H >> S+ 0 0 2 -4,-0.3 4,-1.6 -5,-0.2 3,-0.6 0.929 109.6 43.1 -78.9 -49.4 8.4 -18.9 18.9 154 160 A Y H 3X S+ 0 0 15 -4,-2.2 4,-2.1 1,-0.2 3,-0.4 0.940 114.1 47.8 -61.7 -52.6 9.5 -19.7 15.3 155 161 A Q H 3X S+ 0 0 58 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.548 109.9 57.2 -68.4 -5.0 13.2 -20.2 16.1 156 162 A N H <> S+ 0 0 33 -3,-0.6 4,-2.6 -5,-0.4 5,-0.4 0.816 105.5 49.7 -88.9 -38.2 12.0 -22.3 19.0 157 163 A M H X S+ 0 0 4 -4,-1.6 4,-2.3 -3,-0.4 5,-0.4 0.945 115.5 41.3 -63.5 -51.7 10.1 -24.6 16.7 158 164 A V H < S+ 0 0 68 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.940 119.8 44.4 -63.0 -49.5 13.0 -25.1 14.3 159 165 A T H < S+ 0 0 100 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.920 127.5 25.8 -63.4 -49.0 15.6 -25.5 17.0 160 166 A D H < S- 0 0 86 -4,-2.6 -3,-0.2 2,-0.1 -2,-0.2 0.700 93.7-133.0 -91.6 -22.0 13.7 -27.8 19.4 161 167 A R < + 0 0 143 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.1 0.979 61.2 126.1 65.3 56.7 11.4 -29.5 16.9 162 168 A E - 0 0 111 -5,-0.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.983 66.3 -98.6-142.5 150.0 8.2 -29.1 19.0 163 169 A N - 0 0 40 468,-0.4 470,-1.9 -2,-0.3 2,-0.4 -0.361 39.3-143.9 -66.9 150.9 4.8 -27.6 18.3 164 170 A Q E -hi 440 633C 0 275,-1.7 277,-2.9 468,-0.3 2,-0.4 -0.938 12.0-164.6-121.7 142.4 4.4 -24.0 19.5 165 171 A S E -h 441 0C 1 468,-2.6 2,-0.6 -2,-0.4 277,-0.2 -0.990 2.1-165.1-128.9 128.0 1.3 -22.3 21.0 166 172 A C E -h 442 0C 4 275,-3.4 277,-3.1 -2,-0.4 2,-0.8 -0.954 9.0-159.9-112.1 118.5 0.8 -18.6 21.4 167 173 A L E -hj 443 636C 3 468,-3.0 470,-2.0 -2,-0.6 2,-0.3 -0.827 7.4-174.0-106.7 103.1 -2.0 -17.6 23.7 168 174 A I E +hj 444 637C 1 275,-1.3 277,-0.9 -2,-0.8 2,-0.2 -0.727 18.4 163.6 -88.6 139.7 -3.3 -14.1 23.3 169 175 A T E + j 0 638C 13 468,-2.1 470,-1.9 -2,-0.3 2,-0.2 -0.803 6.6 109.9-142.9-175.8 -5.9 -13.1 26.0 170 176 A G - 0 0 6 275,-0.3 277,-1.9 -2,-0.2 470,-0.1 -0.482 58.8 -53.5 127.2 162.6 -7.7 -10.1 27.4 171 177 A E S > S- 0 0 12 468,-0.5 3,-1.1 275,-0.2 2,-0.3 0.105 73.2 -70.7 -60.2 179.7 -10.9 -8.1 27.8 172 178 A S T 3 S+ 0 0 16 1,-0.2 -1,-0.2 2,-0.1 469,-0.1 -0.576 120.6 15.1 -77.3 138.1 -12.9 -6.9 24.9 173 179 A G T 3 S+ 0 0 7 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.566 86.8 119.2 76.8 6.8 -11.3 -4.1 22.9 174 180 A A S < S- 0 0 1 -3,-1.1 466,-0.5 465,-0.1 -56,-0.2 0.447 88.9-108.3 -81.9 0.0 -8.0 -4.7 24.5 175 181 A G S > S+ 0 0 13 464,-0.1 4,-0.6 -4,-0.1 465,-0.1 0.974 70.8 141.8 75.5 59.3 -6.8 -5.4 21.0 176 182 A K H > + 0 0 23 -5,-0.2 4,-2.3 2,-0.2 5,-0.1 0.743 69.6 56.2 -99.6 -26.5 -6.2 -9.2 20.7 177 183 A T H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.972 109.2 47.2 -67.0 -51.1 -7.5 -9.7 17.2 178 184 A E H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 111.3 51.8 -55.2 -45.9 -5.0 -7.2 15.8 179 185 A N H X S+ 0 0 16 -4,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.929 109.9 49.7 -55.9 -46.6 -2.2 -8.7 17.8 180 186 A T H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.895 109.4 50.2 -60.4 -43.5 -3.1 -12.1 16.4 181 187 A K H X S+ 0 0 83 -4,-2.5 4,-3.7 2,-0.2 -1,-0.2 0.952 111.6 49.2 -60.2 -48.7 -3.1 -10.8 12.8 182 188 A K H X S+ 0 0 17 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.916 108.8 52.3 -55.7 -47.6 0.3 -9.2 13.4 183 189 A V H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.951 113.9 44.2 -53.2 -51.3 1.6 -12.5 14.8 184 190 A I H X S+ 0 0 12 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.933 112.5 50.8 -60.2 -50.5 0.4 -14.3 11.7 185 191 A M H >X S+ 0 0 52 -4,-3.7 4,-2.5 1,-0.2 3,-0.9 0.974 110.4 50.0 -50.5 -60.0 1.7 -11.6 9.3 186 192 A Y H 3< S+ 0 0 0 -4,-3.1 4,-0.3 1,-0.3 -1,-0.2 0.808 110.0 50.3 -49.0 -37.8 5.1 -11.7 11.0 187 193 A L H >< S+ 0 0 2 -4,-1.8 3,-0.5 -5,-0.2 4,-0.5 0.841 112.6 47.1 -71.9 -32.2 5.2 -15.5 10.7 188 194 A A H << S+ 0 0 25 -4,-2.1 3,-0.4 -3,-0.9 -2,-0.2 0.820 109.0 55.7 -76.4 -30.4 4.3 -15.2 7.0 189 195 A K T 3< S+ 0 0 120 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.471 113.8 38.5 -82.3 -2.5 6.9 -12.5 6.5 190 196 A V S < S+ 0 0 8 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.349 123.8 36.1-126.1 2.3 9.8 -14.7 7.8 191 197 A A S S+ 0 0 0 -4,-0.5 50,-1.9 -3,-0.4 -2,-0.1 -0.186 75.7 155.7-148.6 44.9 8.8 -18.1 6.3 192 198 A C - 0 0 83 48,-0.2 -3,-0.1 1,-0.1 -4,-0.0 -0.266 48.0-117.3 -68.8 164.9 7.3 -17.3 2.9 193 199 A A 0 0 85 1,-0.2 -1,-0.1 47,-0.1 47,-0.1 0.796 360.0 360.0 -80.3 -32.8 7.4 -20.1 0.3 194 200 A V 0 0 141 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.740 360.0 360.0-176.2 360.0 9.6 -18.7 -2.5 195 ! 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 0.0 196 212 A E 0 0 93 0, 0.0 2,-0.0 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0-113.3 -6.4 -17.7 -5.8 197 213 A G - 0 0 51 4,-0.1 5,-0.1 5,-0.0 0, 0.0 -0.153 360.0 -17.4 87.7 172.2 -2.9 -16.2 -5.2 198 214 A S > - 0 0 77 3,-0.1 4,-0.8 1,-0.1 3,-0.2 0.027 66.1-117.2 -44.0 153.1 -0.3 -17.2 -2.7 199 215 A L H >> S+ 0 0 48 1,-0.2 3,-2.6 2,-0.2 4,-1.1 0.979 117.4 51.8 -60.0 -55.9 -1.4 -19.5 0.1 200 216 A E H 3> S+ 0 0 31 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.765 98.9 67.7 -51.5 -26.3 -0.6 -16.9 2.8 201 217 A D H 3> S+ 0 0 79 1,-0.2 4,-1.7 -3,-0.2 -1,-0.3 0.865 102.8 45.7 -62.0 -33.7 -2.7 -14.5 0.7 202 218 A Q H < S+ 0 0 78 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.3 0.859 112.1 47.1 -77.2 -41.0 -5.0 -13.0 4.9 205 221 A Q H 3X S+ 0 0 49 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.575 96.9 72.7 -81.1 -8.2 -8.3 -12.9 2.9 206 222 A A H 3X S+ 0 0 3 -4,-1.1 4,-1.9 1,-0.2 5,-0.3 0.807 84.8 71.4 -72.6 -27.6 -10.0 -15.3 5.2 207 223 A N H <> S+ 0 0 40 -3,-0.6 4,-2.5 -4,-0.4 -1,-0.2 0.915 92.9 52.8 -53.4 -51.3 -10.1 -12.4 7.7 208 224 A P H > S+ 0 0 20 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.954 110.6 42.9 -51.4 -62.7 -12.8 -10.4 5.8 209 225 A V H X S+ 0 0 0 -4,-0.8 4,-0.9 1,-0.3 -2,-0.2 0.876 118.4 46.7 -54.0 -41.3 -15.5 -13.1 5.4 210 226 A L H X S+ 0 0 10 -4,-1.9 4,-2.9 2,-0.2 5,-0.4 0.836 110.7 53.2 -69.8 -33.1 -14.9 -14.2 9.0 211 227 A E H X S+ 0 0 34 -4,-2.5 4,-1.9 -5,-0.3 56,-0.3 0.911 104.2 56.6 -66.9 -41.4 -15.0 -10.5 10.1 212 228 A A H < S+ 0 0 1 -4,-2.9 56,-2.3 1,-0.2 57,-0.3 0.777 121.4 26.7 -61.2 -28.0 -18.3 -10.2 8.3 213 229 A Y H < S+ 0 0 0 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.660 129.4 36.4-110.8 -20.7 -19.8 -13.0 10.4 214 230 A G H < S+ 0 0 0 -4,-2.9 12,-3.8 -5,-0.1 2,-0.2 0.561 106.7 73.8-107.7 -11.2 -17.9 -13.0 13.6 215 231 A N E < +N 225 0D 3 -4,-1.9 52,-1.0 -5,-0.4 53,-0.3 -0.613 48.2 150.7-104.3 162.6 -17.4 -9.3 14.0 216 232 A A E -N 224 0D 0 8,-0.7 8,-1.2 50,-0.2 2,-0.5 -0.936 48.4 -85.3-176.5 160.9 -19.7 -6.5 15.0 217 233 A K + 0 0 35 48,-0.5 47,-1.0 -2,-0.3 2,-0.3 -0.704 47.6 176.3 -85.7 127.4 -19.6 -3.0 16.7 218 234 A T - 0 0 13 3,-3.1 3,-0.3 -2,-0.5 45,-0.1 -0.968 47.3-100.6-132.5 146.2 -19.9 -3.2 20.5 219 235 A T S S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.2 44,-0.0 0.689 123.8 42.4 -30.6 -33.1 -19.8 -0.5 23.2 220 236 A R S S+ 0 0 50 1,-0.2 2,-0.3 425,-0.0 -1,-0.2 0.932 124.6 11.5 -85.3 -53.1 -16.2 -1.5 23.8 221 237 A N - 0 0 44 -3,-0.3 -3,-3.1 -5,-0.1 3,-0.4 -0.885 56.9-136.1-131.0 159.1 -14.7 -2.0 20.3 222 238 A N S S+ 0 0 28 -2,-0.3 -5,-0.1 -5,-0.2 -3,-0.1 0.495 103.3 27.6 -93.5 -6.4 -15.7 -1.3 16.6 223 239 A N S S+ 0 0 43 -5,-0.1 -1,-0.2 -8,-0.1 -6,-0.2 -0.173 84.4 178.0-147.2 42.7 -14.7 -4.6 14.9 224 240 A S E -N 216 0D 7 -8,-1.2 -8,-0.7 -3,-0.4 2,-0.7 -0.275 27.9-137.4 -57.1 121.4 -15.2 -7.0 17.8 225 241 A S E -N 215 0D 27 -10,-0.2 -10,-0.2 1,-0.1 -1,-0.1 -0.727 17.3-167.3 -79.0 118.1 -14.6 -10.7 17.1 226 242 A R + 0 0 60 -12,-3.8 26,-1.3 -2,-0.7 2,-0.3 0.116 60.8 68.2 -97.1 22.7 -17.4 -12.3 19.0 227 243 A F S S- 0 0 16 24,-0.2 2,-0.2 -13,-0.1 23,-0.2 -0.969 82.3-112.6-139.4 154.5 -16.1 -15.7 18.8 228 244 A G E -K 249 0C 2 21,-4.5 21,-1.7 -2,-0.3 2,-0.4 -0.596 37.0-162.9 -81.7 148.1 -13.2 -17.6 20.2 229 245 A K E -KL 248 444C 27 215,-1.7 215,-1.1 19,-0.3 2,-0.5 -0.994 22.5-172.8-141.4 133.1 -10.6 -18.7 17.7 230 246 A F E - 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0 0 11 -3,-1.1 -224,-0.2 2,-0.1 -225,-0.2 -0.349 55.4-137.2 -70.3 158.1 -34.8 -27.9 1.1 598 614 A K S S+ 0 0 175 -226,-1.8 -226,-0.2 4,-0.0 -1,-0.1 0.604 79.5 97.2 -91.7 -13.3 -33.9 -27.7 -2.6 599 615 A E S > S- 0 0 23 -228,-0.5 4,-1.9 -227,-0.1 -2,-0.1 -0.685 75.6-138.9 -79.3 116.4 -31.2 -25.1 -2.0 600 616 A P H > S+ 0 0 91 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.766 97.1 42.7 -43.2 -41.0 -27.9 -27.1 -1.8 601 617 A L H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 3,-0.4 0.951 108.8 53.9 -76.9 -51.3 -26.4 -25.1 1.1 602 618 A V H > S+ 0 0 1 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.863 107.2 59.7 -49.3 -32.2 -29.5 -24.9 3.3 603 619 A A H >< S+ 0 0 29 -4,-1.9 3,-0.9 2,-0.2 -1,-0.3 0.935 105.3 42.7 -61.7 -51.7 -29.4 -28.7 2.8 604 620 A E H >< S+ 0 0 92 -4,-1.2 3,-1.3 -3,-0.4 -1,-0.2 0.918 109.1 62.8 -60.4 -42.6 -25.9 -29.1 4.4 605 621 A L H 3< S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.727 114.7 28.7 -55.9 -26.8 -27.0 -26.7 7.1 606 622 A F T << S+ 0 0 8 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 -0.099 80.8 141.6-131.8 42.3 -29.8 -29.0 8.3 607 623 A K < - 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0 0 0 -3,-2.7 4,-0.3 -5,-0.0 2,-0.2 0.563 60.6 -92.0 94.9 119.8 40.3 32.6 75.7 973 24 Z R S S+ 0 0 153 -62,-2.3 -4,-0.1 -4,-0.3 4,-0.1 -0.423 75.2 120.6 -62.3 122.7 41.8 30.9 78.7 974 25 Z D S S- 0 0 93 2,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.180 85.6 -95.4-172.1 26.2 38.9 30.3 81.1 975 26 Z G S S+ 0 0 24 1,-0.2 39,-0.5 -10,-0.1 2,-0.3 0.621 94.4 102.1 62.3 14.2 38.6 26.5 81.7 976 27 Z A - 0 0 19 -4,-0.3 2,-0.4 37,-0.2 -2,-0.3 -0.829 53.1-157.8-125.1 163.8 35.9 26.2 79.1 977 28 Z V - 0 0 0 35,-0.3 35,-2.8 -2,-0.3 4,-0.1 -0.974 30.8-109.5-144.6 127.0 35.8 25.0 75.5 978 29 Z D B >> -Z 1011 0L 18 -2,-0.4 3,-1.0 33,-0.2 4,-0.6 -0.332 24.8-132.1 -56.4 126.4 33.2 25.9 72.9 979 30 Z A H >> S+ 0 0 1 31,-1.3 3,-2.6 1,-0.3 2,-1.3 0.886 105.1 71.9 -46.5 -42.0 31.1 22.8 72.2 980 31 Z F H 34 S+ 0 0 75 26,-0.4 -1,-0.3 30,-0.3 -2,-0.1 0.106 100.4 46.3 -66.2 28.6 31.7 23.5 68.5 981 32 Z K H <> S+ 0 0 56 -2,-1.3 4,-3.0 -3,-1.0 -1,-0.3 0.349 82.4 95.7-140.7 -17.6 35.2 22.4 69.1 982 33 Z L H X S+ 0 0 6 -4,-0.5 4,-2.4 1,-0.2 3,-0.5 0.991 112.2 49.4 -64.0 -57.9 34.7 17.2 67.9 984 35 Z D H 3> S+ 0 0 22 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.811 108.2 54.2 -49.8 -37.6 37.9 18.8 66.9 985 36 Z V H 3< S+ 0 0 0 -4,-3.0 -1,-0.3 2,-0.2 4,-0.2 0.924 108.9 47.7 -66.9 -41.4 39.5 18.3 70.3 986 37 Z C H XX>S+ 0 0 1 -4,-1.7 3,-2.1 -3,-0.5 5,-1.6 0.906 107.4 57.2 -64.0 -40.6 38.7 14.5 70.1 987 38 Z R H ><5S+ 0 0 5 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.889 98.4 59.9 -56.9 -40.3 40.2 14.4 66.7 988 39 Z C T 3<5S+ 0 0 16 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.584 104.5 53.6 -65.4 -7.0 43.4 15.8 68.1 989 40 Z L T <45S- 0 0 33 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.670 125.9 -95.3 -99.9 -21.9 43.4 12.7 70.2 990 41 Z G T <<5S+ 0 0 39 -3,-1.0 2,-0.3 -4,-0.9 -3,-0.2 0.446 83.8 126.2 119.2 5.1 43.1 10.1 67.5 991 42 Z I < - 0 0 17 -5,-1.6 -1,-0.5 -8,-0.1 -2,-0.2 -0.751 47.1-154.5 -92.7 140.5 39.3 9.6 67.5 992 43 Z N - 0 0 13 -2,-0.3 38,-0.2 32,-0.2 -236,-0.1 -0.408 22.4-175.9-116.9 58.7 37.6 10.1 64.2 993 44 Z P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -233,-0.1 0.115 21.1-128.6 -48.0 158.7 34.0 11.1 65.1 994 45 Z R > - 0 0 23 1,-0.1 4,-2.3 30,-0.0 3,-0.4 -0.827 25.4-114.1-108.7 151.6 31.2 11.6 62.7 995 46 Z N H > S+ 0 0 33 -2,-0.3 4,-3.0 1,-0.3 5,-0.4 0.945 121.4 53.0 -49.3 -51.4 29.2 14.9 62.8 996 47 Z E H > S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.877 108.4 53.4 -51.8 -38.1 26.2 12.9 63.8 997 48 Z D H 4 S+ 0 0 13 -3,-0.4 4,-0.4 2,-0.2 -2,-0.2 0.967 112.6 40.0 -63.2 -54.3 28.3 11.4 66.6 998 49 Z V H ><>S+ 0 0 8 -4,-2.3 5,-2.6 1,-0.2 3,-1.4 0.890 112.8 52.5 -65.4 -41.9 29.5 14.7 68.1 999 50 Z F H ><5S+ 0 0 84 -4,-3.0 3,-0.6 1,-0.3 -1,-0.2 0.809 106.7 60.6 -62.2 -25.6 26.1 16.5 67.8 1000 51 Z A T 3<5S+ 0 0 74 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.613 105.2 43.5 -77.0 -15.8 24.8 13.4 69.6 1001 52 Z V T < 5S- 0 0 59 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.295 137.7 -69.9-111.9 8.1 27.0 13.9 72.7 1002 53 Z G T < 5S+ 0 0 40 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.186 84.3 143.3 126.4 -17.2 26.5 17.7 73.1 1003 54 Z G < - 0 0 11 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.085 35.7-147.1 -51.7 155.4 28.4 19.1 70.2 1004 55 Z T - 0 0 29 1,-0.1 -1,-0.1 6,-0.1 -5,-0.0 -0.736 16.9-128.6-123.6 174.0 26.8 22.2 68.6 1005 56 Z H S S+ 0 0 145 -2,-0.2 2,-0.2 -6,-0.1 -1,-0.1 0.828 84.4 43.9 -91.4 -36.5 26.6 23.7 65.1 1006 57 Z K S > S- 0 0 157 1,-0.0 2,-0.5 0, 0.0 3,-0.5 -0.719 85.8-100.4-114.5 162.3 27.7 27.3 65.7 1007 58 Z M T 3 S+ 0 0 90 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 -0.667 102.3 22.7 -78.8 121.1 30.4 29.1 67.6 1008 59 Z G T 3 S+ 0 0 61 -2,-0.5 -1,-0.2 2,-0.3 3,-0.1 0.887 85.5 101.6 94.3 43.4 29.1 30.5 70.9 1009 60 Z E S < S+ 0 0 78 1,-0.5 2,-0.3 -3,-0.5 -2,-0.1 0.669 88.5 13.3-118.4 -47.2 26.0 28.5 71.9 1010 61 Z K - 0 0 120 -4,-0.3 -31,-1.3 -8,-0.0 -1,-0.5 -0.894 62.8-160.0-129.6 157.9 27.4 26.1 74.6 1011 62 Z S B -Z 978 0L 75 -2,-0.3 -33,-0.2 -33,-0.2 -35,-0.0 -0.994 10.6-147.5-142.4 134.9 30.7 26.0 76.5 1012 63 Z L - 0 0 16 -35,-2.8 -35,-0.3 -2,-0.3 5,-0.0 -0.879 5.4-147.7-120.7 121.4 32.2 23.1 78.3 1013 64 Z P >> - 0 0 36 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.157 41.5-104.6 -62.7 171.2 34.4 22.8 81.5 1014 65 Z F H >> S+ 0 0 36 -39,-0.5 4,-1.7 1,-0.2 3,-1.1 0.921 117.8 72.9 -63.6 -41.7 36.8 19.9 81.4 1015 66 Z E H 34 S+ 0 0 136 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.784 104.2 37.6 -41.0 -38.8 34.5 18.1 83.8 1016 67 Z E H <> S+ 0 0 92 -3,-0.7 4,-2.0 2,-0.2 -1,-0.3 0.686 104.0 69.3 -91.0 -20.7 32.1 17.5 80.9 1017 68 Z F H S+ 0 0 72 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.930 118.3 47.1 -48.0 -46.4 32.2 12.0 79.7 1020 71 Z A H X S+ 0 0 11 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.912 113.5 48.3 -61.3 -43.6 31.7 13.4 76.2 1021 72 Z Y H X S+ 0 0 3 -4,-4.0 4,-1.2 1,-0.2 3,-0.2 0.947 106.7 53.4 -64.0 -50.2 35.1 12.1 75.1 1022 73 Z E H X S+ 0 0 73 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.742 107.6 56.6 -57.7 -20.5 34.7 8.6 76.5 1023 74 Z G H >< S+ 0 0 32 -4,-1.0 3,-1.2 -5,-0.4 -1,-0.2 0.931 100.6 53.4 -76.1 -46.7 31.5 8.5 74.5 1024 75 Z L H >< S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.3 -2,-0.2 0.743 99.9 65.7 -60.0 -23.6 33.1 9.2 71.1 1025 76 Z M H 3< S+ 0 0 47 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.826 92.9 58.8 -70.3 -31.3 35.5 6.3 71.7 1026 77 Z D T << S+ 0 0 122 -3,-1.2 -1,-0.3 -4,-0.6 2,-0.2 0.013 90.6 104.7 -87.7 30.3 32.8 3.7 71.5 1027 78 Z C S < S- 0 0 45 -3,-1.0 2,-0.4 1,-0.1 -35,-0.1 -0.539 82.0 -80.9-104.5 173.8 31.9 4.8 68.0 1028 79 Z E - 0 0 61 -2,-0.2 2,-0.5 -36,-0.0 -1,-0.1 -0.605 37.6-170.0 -79.8 127.6 32.5 3.3 64.6 1029 80 Z Q - 0 0 72 -2,-0.4 -275,-0.1 -4,-0.1 -276,-0.0 -0.963 27.9-118.9-119.6 112.1 35.9 3.9 63.1 1030 81 Z G - 0 0 11 -2,-0.5 2,-0.2 -38,-0.2 3,-0.0 -0.093 25.1-142.1 -51.0 142.7 36.1 2.8 59.4 1031 82 Z T > - 0 0 47 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.532 28.8 -99.9-101.3 171.3 38.6 0.1 58.5 1032 83 Z F H >> S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.972 125.5 43.7 -53.0 -57.9 40.7 -0.2 55.4 1033 84 Z A H 3>>S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.6 0.909 106.2 60.8 -53.4 -49.5 38.3 -2.7 53.8 1034 85 Z D H 3>5S+ 0 0 1 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.898 113.7 38.0 -45.8 -45.3 35.3 -0.6 54.8 1035 86 Z Y H <X S+ 0 0 10 -4,-2.9 3,-2.2 1,-0.2 4,-0.7 0.908 105.3 72.0 -66.3 -42.2 35.1 3.3 46.8 1040 91 Z K H 3< S+ 0 0 98 -4,-3.6 3,-0.3 1,-0.3 -1,-0.2 0.693 85.2 71.5 -45.3 -23.0 35.2 0.1 44.7 1041 92 Z T T << S+ 0 0 37 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.1 0.268 97.4 46.2 -81.4 10.2 31.5 0.8 44.1 1042 93 Z F T <4 S+ 0 0 42 -3,-2.2 2,-1.0 7,-0.1 -1,-0.2 0.471 91.8 91.5-121.3 -16.5 32.3 3.8 41.8 1043 94 Z D < + 0 0 24 -4,-0.7 7,-0.1 -3,-0.3 -1,-0.1 -0.718 50.7 177.6 -85.0 98.7 34.9 1.9 39.9 1044 95 Z R S S+ 0 0 92 -2,-1.0 -1,-0.2 1,-0.1 6,-0.0 0.998 77.1 43.5 -64.2 -66.4 33.1 0.3 37.0 1045 96 Z E S S- 0 0 176 1,-0.1 -1,-0.1 4,-0.0 -2,-0.1 0.934 99.7-128.4 -41.4 -79.5 36.1 -1.4 35.3 1046 97 Z G S S+ 0 0 55 3,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.363 74.9 113.7 135.5 6.8 37.9 -2.8 38.4 1047 98 Z Q S S- 0 0 73 2,-0.0 -3,-0.0 1,-0.0 -2,-0.0 0.650 89.5-104.9 -79.1 -17.7 41.4 -1.4 37.9 1048 99 Z G S S+ 0 0 17 1,-0.3 42,-0.6 -8,-0.1 43,-0.5 0.751 79.1 117.1 99.5 27.7 41.2 0.8 41.0 1049 100 Z F E -A 1089 0M 87 40,-0.2 -1,-0.3 41,-0.1 2,-0.3 -0.677 35.7-176.5-118.3 174.0 40.8 4.3 39.4 1050 101 Z I E -A 1088 0M 11 38,-0.7 38,-2.6 -2,-0.2 -7,-0.1 -0.855 40.4 -88.9-173.7 135.8 38.0 6.8 39.5 1051 102 Z S E > -A 1087 0M 51 -2,-0.3 4,-2.7 36,-0.2 36,-0.2 -0.263 32.7-138.8 -47.7 119.2 37.2 10.2 37.9 1052 103 Z G H > S+ 0 0 9 34,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.842 108.2 58.6 -51.7 -30.9 38.7 12.7 40.3 1053 104 Z A H > S+ 0 0 68 33,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.962 104.5 47.8 -61.4 -52.6 35.5 14.6 39.6 1054 105 Z E H > S+ 0 0 63 1,-0.2 4,-3.3 2,-0.2 3,-0.5 0.970 111.9 50.5 -51.3 -57.0 33.5 11.6 40.9 1055 106 Z L H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.880 110.1 48.8 -48.6 -44.6 35.8 11.5 43.9 1056 107 Z R H X S+ 0 0 73 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.3 0.869 114.1 49.3 -63.5 -34.8 35.2 15.3 44.5 1057 108 Z H H X>S+ 0 0 90 -4,-2.6 4,-2.5 -3,-0.5 5,-0.8 0.933 107.1 52.6 -68.4 -50.6 31.5 14.4 44.1 1058 109 Z V H X5S+ 0 0 2 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.936 116.5 39.4 -51.3 -52.4 31.6 11.5 46.6 1059 110 Z L H <5S+ 0 0 1 -4,-2.1 7,-2.1 -5,-0.2 -1,-0.2 0.779 124.7 35.0 -72.2 -32.4 33.2 13.7 49.3 1060 111 Z T H <5S+ 0 0 34 -4,-1.7 -1,-0.2 5,-0.3 -2,-0.2 0.585 129.5 32.4-100.0 -11.2 31.3 16.9 48.8 1061 112 Z A H <5S+ 0 0 40 -4,-2.5 4,-0.2 -5,-0.2 -3,-0.2 0.718 109.3 60.2-113.9 -32.9 27.9 15.4 47.8 1062 113 Z L S <> - 0 0 64 -2,-0.4 4,-1.6 1,-0.1 3,-1.6 -0.531 23.5-125.0 -72.9 138.5 33.6 21.6 52.1 1068 119 Z D H 3> S+ 0 0 85 1,-0.3 4,-3.5 2,-0.2 5,-0.4 0.887 115.1 58.0 -49.5 -42.0 35.4 22.0 48.9 1069 120 Z E H 3> S+ 0 0 59 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.852 108.0 48.9 -57.0 -32.7 38.0 24.0 50.8 1070 121 Z D H <> S+ 0 0 36 -3,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.789 115.3 40.9 -78.0 -30.5 38.4 20.9 52.9 1071 122 Z V H >X S+ 0 0 1 -4,-1.6 4,-1.3 -3,-0.3 3,-0.5 0.941 113.5 51.7 -79.4 -53.3 38.7 18.5 49.9 1072 123 Z D H 3X S+ 0 0 76 -4,-3.5 4,-1.1 1,-0.3 3,-0.4 0.870 110.4 55.6 -47.0 -37.8 41.0 20.8 48.0 1073 124 Z E H 3X S+ 0 0 88 -4,-1.1 4,-2.0 -5,-0.4 -1,-0.3 0.887 106.8 44.5 -64.8 -45.4 43.0 20.9 51.2 1074 125 Z I H S+ 0 0 37 -4,-1.3 5,-2.6 -3,-0.4 4,-1.2 0.874 111.2 39.9 -80.3 -38.5 44.5 16.5 48.0 1076 127 Z K H <5S+ 0 0 144 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.1 0.941 115.9 50.1 -73.0 -48.3 47.5 18.8 48.5 1077 128 Z L H <5S+ 0 0 60 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.938 123.0 30.7 -56.4 -52.3 48.3 17.5 52.0 1078 129 Z T H <5S- 0 0 7 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.791 110.6-130.1 -75.5 -28.2 48.2 13.8 51.0 1079 130 Z D T <5 - 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