==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 15-SEP-99 1D1A . COMPND 2 MOLECULE: MYOSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR A.M.GULICK,C.B.BAUER,J.B.THODEN,E.PATE,R.G.YOUNT,I.RAYMENT . 745 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 50 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 3 4 4 2 4 2 1 0 0 2 1 2 0 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 0 0 2 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 . 4 2 2 5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 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 2 A N >> 0 0 107 0, 0.0 3,-2.3 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 122.7 50.5 45.1 -5.3 2 3 A P T 34 + 0 0 46 0, 0.0 6,-0.3 0, 0.0 9,-0.2 0.566 360.0 72.1 -37.1 -30.1 50.6 44.7 -1.5 3 4 A I T 34 S+ 0 0 18 1,-0.2 3,-0.0 7,-0.1 138,-0.0 0.886 114.0 27.1 -61.9 -35.5 47.8 42.0 -1.4 4 5 A H T <4 S+ 0 0 121 -3,-2.3 2,-1.3 1,-0.1 -1,-0.2 0.677 103.8 90.6 -96.8 -22.3 50.2 39.5 -2.9 5 6 A D >< - 0 0 66 -4,-1.1 3,-3.7 1,-0.2 6,-0.4 -0.607 58.7-165.5 -80.8 83.3 53.3 41.2 -1.6 6 7 A R T 3 S+ 0 0 114 -2,-1.3 -1,-0.2 1,-0.3 12,-0.1 0.555 86.4 61.8 -45.9 -7.5 54.0 39.5 1.8 7 8 A T T 3 S+ 0 0 102 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.625 81.1 105.3 -97.4 -15.0 56.4 42.3 2.5 8 9 A S S <> S- 0 0 14 -3,-3.7 4,-2.6 -6,-0.3 3,-0.3 -0.182 82.5-115.9 -64.4 159.8 54.0 45.1 2.3 9 10 A D H > S+ 0 0 86 1,-0.2 4,-4.0 2,-0.2 5,-0.3 0.791 116.3 65.1 -61.2 -30.2 52.7 47.0 5.4 10 11 A Y H >>S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 5,-0.5 0.919 107.9 38.7 -57.3 -47.4 49.2 45.6 4.4 11 12 A H H >5S+ 0 0 13 -6,-0.4 4,-1.2 -3,-0.3 -2,-0.2 0.920 118.8 51.0 -69.0 -42.5 50.6 42.2 5.1 12 13 A K H <5S+ 0 0 116 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.939 123.6 24.0 -55.1 -59.3 52.5 43.5 8.1 13 14 A Y H <5S+ 0 0 82 -4,-4.0 -1,-0.2 119,-0.1 -2,-0.2 0.548 130.3 34.7 -89.2 -15.7 49.7 45.4 9.8 14 15 A L H <5S+ 0 0 7 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.543 105.4 59.5-119.3 -17.5 46.5 43.7 8.6 15 16 A K S < - 0 0 98 1,-0.2 4,-1.4 2,-0.1 -2,-0.1 0.024 45.9-171.1 -42.6 124.6 50.5 21.6 6.0 24 25 A F H > S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.522 105.7 60.6 -79.6 -10.4 47.5 20.5 7.7 25 26 A K H 4 S+ 0 0 43 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.883 95.4 51.8 -79.8 -54.5 50.5 18.4 8.8 26 27 A L H 4 S+ 0 0 75 1,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.952 110.1 53.3 -50.7 -49.5 52.6 21.2 10.3 27 28 A T H < S+ 0 0 57 -4,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.931 90.0 119.2 -47.6 -57.8 49.6 22.1 12.3 28 29 A V < + 0 0 99 -4,-1.0 2,-0.3 1,-0.1 -3,-0.1 0.339 31.3 164.1 -25.4 139.9 49.3 18.5 13.6 29 30 A S - 0 0 104 2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.934 39.8-122.0-155.1 148.4 49.5 17.4 17.2 30 31 A D S S+ 0 0 88 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 0.412 80.1 63.0 -80.3 -2.2 48.6 14.1 18.9 31 32 A K - 0 0 147 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.674 63.1-132.2-126.2 176.4 46.0 15.4 21.6 32 33 A R - 0 0 113 19,-0.4 19,-0.6 -2,-0.2 2,-0.1 -0.928 29.0-177.3-134.0 114.1 42.5 17.1 22.2 33 34 A Y E -A 50 0A 80 -2,-0.4 46,-1.0 17,-0.2 2,-0.2 -0.376 10.3-150.0-112.3-179.5 41.8 20.1 24.7 34 35 A I E -AB 49 78A 3 15,-1.4 15,-2.8 44,-0.2 2,-0.6 -0.928 23.1-105.0-145.2 169.1 39.2 22.6 26.4 35 36 A W E +A 48 0A 20 42,-3.9 42,-0.5 -2,-0.2 2,-0.2 -0.831 45.1 160.3-102.2 111.0 38.3 26.0 28.1 36 37 A Y E -A 47 0A 22 11,-2.8 11,-2.9 -2,-0.6 40,-0.0 -0.783 38.0-118.0-126.7 169.6 37.8 26.1 31.9 37 38 A N - 0 0 49 9,-0.3 9,-0.2 -2,-0.2 6,-0.1 -0.963 9.0-154.8-110.6 119.2 37.8 28.6 34.9 38 39 A P S S+ 0 0 69 0, 0.0 8,-0.1 0, 0.0 5,-0.1 0.287 93.7 22.7 -74.2 10.6 40.5 28.1 37.6 39 40 A D S S- 0 0 59 3,-0.2 3,-0.3 6,-0.2 6,-0.2 -0.536 70.2-151.1 178.2 106.1 38.0 29.8 39.9 40 41 A P S S+ 0 0 114 0, 0.0 3,-0.3 0, 0.0 4,-0.0 0.377 92.2 71.9 -64.5 -3.8 34.2 29.9 39.3 41 42 A K S S+ 0 0 185 1,-0.3 2,-1.2 2,-0.1 -2,-0.0 0.963 103.4 38.8 -75.6 -60.9 34.0 33.1 41.2 42 43 A E S > S+ 0 0 82 -3,-0.3 3,-0.5 1,-0.2 -1,-0.3 -0.727 75.7 174.7 -88.4 98.8 35.7 35.0 38.4 43 44 A R T 3 + 0 0 41 -2,-1.2 -1,-0.2 -3,-0.3 -2,-0.1 0.621 65.9 68.1 -81.9 -16.7 34.2 33.3 35.3 44 45 A D T 3 S+ 0 0 19 2,-0.0 2,-0.3 -7,-0.0 -1,-0.2 0.548 87.8 85.0 -83.3 -1.3 35.6 35.4 32.6 45 46 A S < + 0 0 28 -3,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.722 60.5 164.9 -95.5 147.2 38.9 34.1 33.4 46 47 A Y - 0 0 35 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.983 24.4-156.6-158.6 156.6 39.8 30.8 31.9 47 48 A E E -A 36 0A 104 -11,-2.9 -11,-2.8 -2,-0.3 2,-0.8 -0.865 35.4-102.8-131.1 162.5 42.7 28.5 31.2 48 49 A C E -A 35 0A 41 -2,-0.3 2,-0.9 -13,-0.2 -13,-0.2 -0.791 34.9-160.1 -91.1 112.3 43.1 25.8 28.6 49 50 A G E -A 34 0A 0 -15,-2.8 -15,-1.4 -2,-0.8 14,-0.2 -0.799 15.1-133.7 -97.8 107.4 42.6 22.4 30.2 50 51 A E E -AC 33 62A 80 -2,-0.9 12,-4.1 12,-0.8 2,-0.2 -0.354 21.4-129.8 -56.8 121.7 44.0 19.6 28.3 51 52 A I E + C 0 61A 18 -19,-0.6 -19,-0.4 10,-0.3 10,-0.3 -0.608 34.8 170.6 -72.7 138.1 41.4 16.9 28.1 52 53 A V E + 0 0 75 8,-1.5 2,-0.4 1,-0.4 9,-0.2 0.617 60.4 24.8-118.3 -34.5 43.1 13.7 29.2 53 54 A S E - C 0 60A 49 7,-1.1 7,-2.7 0, 0.0 -1,-0.4 -0.994 65.1-158.1-138.3 143.3 40.3 11.2 29.6 54 55 A E - 0 0 131 -2,-0.4 5,-0.2 5,-0.2 7,-0.0 -0.796 8.4-179.1-119.1 160.9 36.9 11.0 28.2 55 56 A T - 0 0 91 -2,-0.3 -1,-0.1 3,-0.3 4,-0.0 0.231 43.9 -98.2-119.1-112.6 33.7 9.4 29.2 56 57 A S S S+ 0 0 92 -2,-0.0 -2,-0.0 0, 0.0 3,-0.0 0.269 115.8 27.1-149.4 -21.6 30.3 9.3 27.4 57 58 A D S S+ 0 0 121 14,-0.1 16,-1.8 16,-0.0 17,-0.4 0.793 128.9 3.6-110.3 -57.0 28.7 12.0 29.4 58 59 A S S S- 0 0 24 14,-0.3 -3,-0.3 15,-0.2 14,-0.2 0.476 70.2-119.7-102.5-124.8 31.4 14.4 30.7 59 60 A F - 0 0 11 12,-0.4 12,-1.7 -5,-0.2 2,-0.3 -0.498 8.1-137.4 165.2 122.6 35.2 14.7 30.3 60 61 A T E -CD 53 70A 32 -7,-2.7 -8,-1.5 10,-0.2 -7,-1.1 -0.697 31.2-179.8 -89.7 149.9 38.2 14.7 32.6 61 62 A F E -CD 51 69A 14 8,-1.4 8,-1.7 -10,-0.3 2,-0.4 -0.999 27.1-116.7-148.8 151.2 40.8 17.3 31.9 62 63 A K E -CD 50 68A 108 -12,-4.1 -12,-0.8 -2,-0.3 6,-0.3 -0.768 30.2-136.4 -94.0 137.1 44.2 18.4 33.3 63 64 A T > - 0 0 21 4,-2.5 3,-1.0 -2,-0.4 -14,-0.1 -0.332 22.1-116.4 -84.5 163.9 44.6 22.0 34.7 64 65 A V T 3 S+ 0 0 73 1,-0.3 -1,-0.1 2,-0.1 -15,-0.0 0.708 120.2 64.0 -69.3 -18.9 47.4 24.5 34.3 65 66 A D T 3 S- 0 0 142 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.740 121.0-113.2 -70.8 -32.2 47.7 23.9 37.9 66 67 A G S < S+ 0 0 47 -3,-1.0 -2,-0.1 1,-0.4 -1,-0.1 -0.200 81.9 117.1 116.6 -31.8 48.7 20.4 37.2 67 68 A Q - 0 0 53 -5,-0.1 -4,-2.5 1,-0.1 -1,-0.4 0.250 58.4-130.8 -53.8-177.0 45.5 19.2 38.8 68 69 A D E +D 62 0A 75 -6,-0.3 -6,-0.2 -3,-0.1 2,-0.1 -0.977 27.4 164.5-147.7 128.9 42.7 17.3 37.2 69 70 A R E -D 61 0A 49 -8,-1.7 -8,-1.4 -2,-0.3 2,-0.3 -0.439 27.0-117.9-124.6-164.0 38.8 17.9 37.2 70 71 A Q E -D 60 0A 79 -10,-0.2 2,-0.3 -2,-0.1 -10,-0.2 -0.985 21.7-175.3-151.5 138.3 35.7 16.9 35.4 71 72 A V - 0 0 27 -12,-1.7 -12,-0.4 -2,-0.3 2,-0.2 -0.860 33.1 -97.7-130.0 162.8 33.1 18.7 33.3 72 73 A K > - 0 0 27 -2,-0.3 3,-1.4 -14,-0.2 4,-0.3 -0.577 23.7-134.4 -81.3 146.9 29.8 17.9 31.6 73 74 A K G > S+ 0 0 134 -16,-1.8 3,-0.8 1,-0.3 -15,-0.2 0.841 113.4 50.7 -68.2 -31.3 30.0 17.3 28.0 74 75 A D G 3 S+ 0 0 159 -17,-0.4 -1,-0.3 1,-0.2 -16,-0.1 0.355 111.3 49.7 -87.3 11.9 27.1 19.5 27.6 75 76 A D G < S+ 0 0 125 -3,-1.4 2,-0.2 -17,-0.0 -1,-0.2 0.311 85.7 126.1-123.5 -1.7 28.9 22.1 29.7 76 77 A A < - 0 0 27 -3,-0.8 2,-0.9 -4,-0.3 -40,-0.1 -0.460 49.1-157.8 -74.9 132.8 32.2 22.0 27.7 77 78 A N - 0 0 45 -42,-0.5 -42,-3.9 -2,-0.2 2,-0.2 -0.777 28.3-158.1-105.6 76.0 33.8 25.0 26.2 78 79 A Q B -B 34 0A 54 -2,-0.9 19,-0.3 -44,-0.2 2,-0.3 -0.434 12.2-125.0 -65.6 126.7 35.8 23.1 23.7 79 80 A R - 0 0 33 -46,-1.0 -46,-0.1 -2,-0.2 3,-0.1 -0.533 25.6-124.6 -74.6 131.6 38.8 24.8 22.3 80 81 A N - 0 0 10 -2,-0.3 2,-0.2 15,-0.2 -47,-0.1 -0.207 41.8 -75.6 -68.9 170.0 38.9 25.1 18.6 81 82 A P > - 0 0 17 0, 0.0 3,-3.1 0, 0.0 4,-0.5 -0.447 38.7-121.1 -71.5 136.9 41.8 23.7 16.6 82 83 A I G > S+ 0 0 86 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.736 111.0 72.2 -47.3 -27.6 45.0 25.8 16.7 83 84 A K G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -59,-0.1 -3,-0.0 0.877 94.5 55.3 -54.2 -38.5 44.7 26.1 12.9 84 85 A F G X S+ 0 0 2 -3,-3.1 3,-2.8 2,-0.1 2,-0.6 0.658 75.2 121.0 -70.1 -22.0 41.8 28.5 13.7 85 86 A D T < S+ 0 0 36 -3,-1.1 19,-0.1 -4,-0.5 -3,-0.0 -0.217 85.1 11.5 -51.5 101.3 43.8 30.7 15.9 86 87 A G T 3 S+ 0 0 5 -2,-0.6 -1,-0.3 1,-0.2 -70,-0.1 0.534 82.6 166.1 110.1 5.2 43.5 34.1 14.2 87 88 A V < - 0 0 15 -3,-2.8 -1,-0.2 1,-0.1 3,-0.1 -0.142 39.4-130.2 -53.3 149.6 40.7 33.5 11.6 88 89 A E S S+ 0 0 46 1,-0.2 29,-3.3 28,-0.1 2,-0.4 0.719 92.8 36.0 -76.4 -21.1 39.3 36.6 10.1 89 90 A D B > -e 117 0B 29 27,-0.2 3,-2.1 1,-0.1 29,-0.2 -0.986 67.5-150.2-133.4 120.4 35.7 35.7 10.7 90 91 A M G > S+ 0 0 8 27,-3.1 3,-2.6 -2,-0.4 28,-0.2 0.732 91.1 81.7 -65.4 -14.0 34.6 33.9 13.8 91 92 A S G 3 S+ 0 0 47 1,-0.3 -1,-0.3 26,-0.2 27,-0.1 0.637 84.4 65.0 -61.2 -10.7 31.8 32.4 11.7 92 93 A E G < S+ 0 0 89 -3,-2.1 -1,-0.3 591,-0.1 -2,-0.2 0.640 78.8 106.6 -86.7 -15.2 34.5 30.1 10.7 93 94 A L < - 0 0 6 -3,-2.6 590,-0.1 -4,-0.2 3,-0.1 -0.427 57.3-153.4 -71.3 143.7 35.0 28.5 14.1 94 95 A S S S+ 0 0 0 1,-0.2 2,-0.5 643,-0.1 645,-0.2 0.963 89.0 44.4 -76.1 -61.7 33.8 25.0 14.9 95 96 A Y S S- 0 0 22 642,-0.2 -15,-0.2 643,-0.1 -1,-0.2 -0.778 73.7-168.3 -83.7 123.6 33.3 25.4 18.6 96 97 A L + 0 0 19 -2,-0.5 579,-0.1 -3,-0.1 582,-0.1 0.008 31.6 137.4-109.1 32.1 31.5 28.8 19.2 97 98 A N - 0 0 20 -19,-0.3 4,-0.1 1,-0.1 578,-0.1 0.470 64.2-103.8 -51.3-156.7 31.8 29.3 23.0 98 99 A E S > S+ 0 0 55 2,-0.1 4,-3.4 3,-0.1 5,-0.2 0.766 120.3 44.8-103.7 -54.3 32.6 32.6 24.7 99 100 A P H > S+ 0 0 6 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.910 112.5 57.2 -61.8 -33.1 36.2 31.9 25.7 100 101 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.913 110.2 43.1 -60.6 -41.9 36.5 30.6 22.1 101 102 A V H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.939 115.4 47.3 -69.2 -46.4 35.3 33.9 20.8 102 103 A F H X S+ 0 0 6 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.918 108.6 57.4 -60.9 -41.9 37.5 35.9 23.2 103 104 A H H X S+ 0 0 19 -4,-3.6 4,-3.3 -5,-0.2 5,-0.3 0.929 107.1 45.4 -54.7 -51.6 40.5 33.7 22.3 104 105 A N H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.906 113.2 51.2 -62.4 -37.4 40.3 34.4 18.6 105 106 A L H X S+ 0 0 3 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.879 114.8 44.6 -64.1 -37.2 39.8 38.1 19.4 106 107 A R H X S+ 0 0 72 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.941 106.4 55.3 -71.0 -51.6 42.8 38.0 21.6 107 108 A V H < S+ 0 0 20 -4,-3.3 4,-0.5 1,-0.2 -2,-0.2 0.905 115.1 44.7 -49.5 -41.2 45.2 36.0 19.4 108 109 A R H ><>S+ 0 0 2 -4,-1.7 5,-4.2 -5,-0.3 3,-0.8 0.880 110.5 51.7 -68.8 -41.7 44.5 38.7 16.8 109 110 A Y H ><5S+ 0 0 11 -4,-1.6 3,-1.2 3,-0.3 -2,-0.2 0.820 102.0 59.7 -67.5 -32.9 44.9 41.6 19.2 110 111 A N T 3<5S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.681 108.8 47.0 -65.9 -22.3 48.3 40.2 20.4 111 112 A Q T < 5S- 0 0 88 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.214 124.3-108.2-102.2 8.4 49.3 40.6 16.7 112 113 A D T < 5S+ 0 0 58 -3,-1.2 2,-1.2 1,-0.2 -3,-0.3 0.742 72.1 146.7 70.3 21.5 47.8 44.1 16.7 113 114 A L < + 0 0 6 -5,-4.2 -1,-0.2 1,-0.2 -2,-0.1 -0.785 17.1 171.2 -94.6 91.6 44.9 42.8 14.5 114 115 A I + 0 0 9 -2,-1.2 11,-2.0 -3,-0.1 2,-0.5 0.574 52.3 71.1 -76.5 -18.2 42.2 45.0 15.8 115 116 A Y E + F 0 124B 4 37,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.879 53.4 159.3-112.0 133.5 39.5 44.1 13.3 116 117 A T E - F 0 123B 1 7,-2.4 7,-3.7 -2,-0.5 2,-0.3 -0.998 31.4-126.4-145.5 147.8 37.7 40.9 13.1 117 118 A Y E -eF 89 122B 6 -29,-3.3 -27,-3.1 -2,-0.3 2,-0.3 -0.685 15.4-174.9 -93.9 151.0 34.4 39.7 11.5 118 119 A S E > - F 0 121B 7 3,-3.7 3,-3.1 1,-0.4 -29,-0.1 -0.800 62.3 -76.1-138.8 88.7 31.8 37.9 13.4 119 120 A G T 3 S+ 0 0 23 -2,-0.3 -1,-0.4 1,-0.3 -28,-0.0 -0.299 122.2 3.4 55.2-122.2 29.2 36.9 10.8 120 121 A L T 3 S+ 0 0 67 -3,-0.1 521,-0.6 2,-0.0 2,-0.3 0.701 122.7 83.2 -64.9 -22.9 27.4 40.1 10.2 121 122 A F E < -Fg 118 641B 5 -3,-3.1 -3,-3.7 519,-0.1 2,-0.6 -0.659 61.4-150.9 -98.9 152.8 29.6 42.1 12.4 122 123 A L E -Fg 117 642B 2 519,-1.9 521,-3.0 -2,-0.3 2,-0.5 -0.945 23.9-156.4-107.2 115.7 32.8 43.8 12.1 123 124 A V E -Fg 116 643B 0 -7,-3.7 -7,-2.4 -2,-0.6 2,-0.5 -0.829 9.8-172.0 -97.8 134.2 34.4 43.9 15.6 124 125 A A E -Fg 115 644B 3 519,-2.4 521,-2.9 -2,-0.5 2,-0.5 -0.955 7.0-161.9-133.5 119.2 36.9 46.5 16.3 125 126 A V E - g 0 645B 5 -11,-2.0 521,-0.2 -2,-0.5 58,-0.1 -0.876 28.0-117.5-102.1 120.9 39.0 46.6 19.5 126 127 A N - 0 0 33 519,-2.5 57,-0.1 -2,-0.5 525,-0.0 -0.374 21.0-163.1 -56.6 127.7 40.7 49.9 20.4 127 128 A P - 0 0 17 0, 0.0 527,-0.4 0, 0.0 -1,-0.2 0.663 22.8-138.5 -86.1 -23.8 44.5 49.3 20.4 128 129 A F S S+ 0 0 42 1,-0.2 2,-0.3 525,-0.1 -2,-0.1 0.940 76.7 69.8 60.9 47.9 45.2 52.5 22.4 129 130 A K S S- 0 0 100 523,-0.1 2,-0.2 524,-0.0 -1,-0.2 -0.842 95.0 -81.7 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141 A D H 3< S+ 0 0 93 -4,-3.1 3,-0.4 1,-0.3 -1,-0.2 0.804 99.6 59.9 -49.0 -37.7 43.7 52.2 -2.4 141 142 A I H 3< S+ 0 0 15 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.836 100.8 54.0 -63.0 -33.9 44.1 48.6 -1.5 142 143 A F H X< S+ 0 0 1 -3,-1.6 3,-2.7 -4,-0.9 -1,-0.2 0.733 77.0 128.1 -70.8 -26.2 40.5 48.2 -0.4 143 144 A K T 3< S- 0 0 49 -4,-0.9 13,-0.0 -3,-0.4 -3,-0.0 -0.063 86.3 -15.8 -44.6 109.5 39.1 49.5 -3.7 144 145 A G T 3 S+ 0 0 27 1,-0.2 2,-0.3 12,-0.1 -1,-0.3 0.562 96.5 141.0 73.4 13.3 36.5 47.1 -5.1 145 146 A R < - 0 0 68 -3,-2.7 -1,-0.2 2,-0.0 2,-0.1 -0.731 50.9-122.6 -94.8 144.2 37.5 44.2 -3.0 146 147 A R >> - 0 0 106 -2,-0.3 3,-2.2 1,-0.1 4,-1.2 -0.381 28.6-112.3 -72.1 152.1 35.0 41.7 -1.6 147 148 A R T 34 S+ 0 0 75 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.818 122.7 52.8 -52.5 -37.1 35.0 41.2 2.2 148 149 A N T 34 S+ 0 0 133 1,-0.2 -1,-0.3 4,-0.0 -2,-0.0 0.532 105.7 58.5 -72.5 -15.9 36.3 37.7 1.6 149 150 A E T <4 S+ 0 0 79 -3,-2.2 2,-0.3 2,-0.1 -2,-0.2 0.795 107.6 35.9 -88.3 -33.8 39.1 39.2 -0.6 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31.4 52.2 24.8 180 181 A S T 3 S+ 0 0 29 1,-0.3 -1,-0.2 2,-0.1 52,-0.1 -0.316 121.0 19.5 -57.6 129.9 32.9 55.7 25.3 181 182 A G T 3 S+ 0 0 9 -3,-0.1 -1,-0.3 50,-0.1 -2,-0.1 0.485 89.1 119.5 83.5 0.5 36.5 55.6 24.1 182 183 A A S < S- 0 0 2 -3,-2.8 -56,-0.3 462,-0.1 463,-0.3 0.751 91.6 -98.2 -70.9 -24.8 35.8 52.4 22.1 183 184 A G S > S+ 0 0 10 -4,-0.3 4,-2.5 461,-0.2 5,-0.2 0.574 78.5 136.3 114.8 22.8 36.8 54.1 18.8 184 185 A K H > S+ 0 0 19 -5,-0.3 4,-1.6 2,-0.2 5,-0.1 0.923 77.3 39.5 -61.9 -52.8 33.3 55.0 17.4 185 186 A T H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.874 114.2 54.8 -68.1 -41.0 34.2 58.5 16.2 186 187 A E H >> S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.988 110.7 45.1 -56.3 -60.3 37.5 57.4 15.0 187 188 A N H 3X S+ 0 0 13 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.804 110.4 55.7 -51.5 -34.6 36.0 54.7 12.8 188 189 A T H 3X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.908 104.3 52.2 -66.3 -42.4 33.3 57.1 11.5 189 190 A K H 0 0 44 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 139.6 37.4 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31 -2,-0.2 3,-1.5 1,-0.1 -1,-0.1 -0.572 44.4-107.4-103.9 166.4 41.7 82.6 31.9 297 301 A P G > S+ 0 0 33 0, 0.0 3,-1.5 0, 0.0 6,-0.4 0.768 118.6 63.5 -58.6 -29.4 39.8 79.4 32.8 298 302 A E G 3 S+ 0 0 123 1,-0.3 6,-0.1 6,-0.1 5,-0.0 0.808 99.2 56.6 -68.6 -21.6 40.8 79.7 36.3 299 303 A S G < S+ 0 0 55 -3,-1.5 2,-0.4 4,-0.1 -1,-0.3 0.259 97.2 75.8 -89.5 7.7 38.8 82.9 36.3 300 304 A F X> - 0 0 4 -3,-1.5 4,-1.4 1,-0.1 3,-1.0 -0.987 66.8-148.3-127.3 137.8 35.6 81.3 35.3 301 305 A N T 34 S+ 0 0 71 -2,-0.4 4,-0.2 47,-0.3 -1,-0.1 0.834 101.2 58.6 -64.9 -38.1 33.3 79.2 37.4 302 306 A Y T 34 S+ 0 0 11 46,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.657 120.5 26.9 -67.2 -16.3 32.3 77.1 34.4 303 307 A L T <4 S+ 0 0 0 -3,-1.0 4,-0.2 -6,-0.4 -2,-0.2 0.398 109.8 64.5-124.5 -7.3 36.0 76.1 33.9 304 308 A N S < S+ 0 0 32 -4,-1.4 -2,-0.1 1,-0.1 -3,-0.1 0.083 86.5 70.5-109.5 26.8 37.8 76.2 37.2 305 309 A Q S S+ 0 0 138 -4,-0.2 -1,-0.1 3,-0.2 -3,-0.1 0.758 85.3 58.0-112.6 -26.8 36.0 73.6 39.1 306 310 A S S S- 0 0 11 2,-0.3 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0.830 88.4 52.3 -58.6 -34.4 43.9 74.4 22.7 317 321 A S H > S+ 0 0 44 -35,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.919 113.1 43.8 -70.2 -41.2 45.3 77.5 20.9 318 322 A E H >> S+ 0 0 112 1,-0.2 4,-1.2 2,-0.2 3,-1.1 0.921 111.0 52.5 -72.1 -37.0 46.5 75.4 18.0 319 323 A E H 3X S+ 0 0 83 -4,-3.2 4,-1.7 1,-0.3 -1,-0.2 0.700 103.1 62.7 -66.3 -22.7 43.2 73.4 17.8 320 324 A F H 3X S+ 0 0 2 -4,-1.1 4,-2.4 2,-0.2 -1,-0.3 0.648 96.6 56.0 -74.6 -27.7 41.3 76.7 17.7 321 325 A K H X S+ 0 0 108 -4,-3.0 4,-1.9 2,-0.2 3,-1.1 0.998 107.5 48.6 -61.1 -60.3 39.6 77.4 9.9 326 330 A A H 3X S+ 0 0 0 -4,-3.6 4,-2.5 1,-0.3 5,-0.4 0.856 108.3 55.6 -47.3 -42.0 36.9 74.9 9.4 327 331 A M H 3X>S+ 0 0 0 -4,-3.0 5,-3.9 1,-0.2 4,-1.2 0.912 107.3 50.2 -59.4 -38.7 34.3 77.6 10.1 328 332 A D H <<5S+ 0 0 77 -4,-1.8 -2,-0.2 -3,-1.1 -1,-0.2 0.928 112.2 46.6 -62.6 -47.2 35.9 79.6 7.3 329 333 A I H <5S+ 0 0 67 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.942 110.6 48.6 -60.6 -55.9 35.8 76.6 4.8 330 334 A V H <5S- 0 0 3 -4,-2.5 -1,-0.2 -117,-0.2 -2,-0.2 0.796 126.8-103.1 -57.1 -28.0 32.2 75.5 5.5 331 335 A G T <5 + 0 0 48 -4,-1.2 2,-0.6 -5,-0.4 -3,-0.2 0.748 56.2 168.2 111.1 34.4 31.4 79.2 5.0 332 336 A F < - 0 0 7 -5,-3.9 -1,-0.2 -6,-0.2 5,-0.1 -0.650 39.0-119.8 -81.5 122.3 30.8 80.9 8.3 333 337 A S > - 0 0 43 -2,-0.6 4,-2.9 1,-0.2 3,-0.5 -0.239 19.2-118.4 -56.6 146.6 30.8 84.7 7.9 334 338 A Q H > S+ 0 0 103 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.866 121.0 45.2 -55.7 -33.9 33.4 86.5 9.8 335 339 A E H > S+ 0 0 126 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.732 107.8 56.9 -81.5 -21.8 30.6 88.2 11.6 336 340 A E H > S+ 0 0 61 -3,-0.5 4,-1.3 1,-0.2 -2,-0.2 0.892 110.0 48.0 -74.3 -33.0 28.8 84.9 12.0 337 341 A Q H X S+ 0 0 5 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.788 103.3 58.2 -76.0 -29.5 31.8 83.8 13.7 338 342 A M H >X S+ 0 0 109 -4,-1.2 4,-1.6 -5,-0.2 3,-0.8 0.987 108.3 48.0 -61.8 -51.9 32.2 86.8 15.9 339 343 A S H 3X S+ 0 0 13 -4,-1.5 4,-1.9 1,-0.3 -2,-0.2 0.762 105.3 57.2 -54.8 -37.6 28.7 86.1 17.4 340 344 A I H 3X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 -1,-0.3 0.845 112.5 43.2 -64.2 -33.9 29.4 82.4 17.9 341 345 A F H < S+ 0 0 13 -4,-1.9 3,-1.0 -3,-0.3 -2,-0.2 0.864 105.2 57.6 -70.6 -44.9 30.1 85.4 31.9 350 354 A L H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.776 102.6 55.5 -58.4 -33.5 26.7 84.2 33.2 351 355 A G T 3< S+ 0 0 2 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.789 99.6 62.4 -73.4 -20.1 28.3 81.4 35.0 352 356 A N T < S+ 0 0 42 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.2 0.563 78.5 114.0 -81.4 -3.4 30.4 84.1 36.7 353 357 A I < - 0 0 5 -3,-1.1 2,-0.6 -4,-0.2 15,-0.1 -0.491 52.7-157.8 -71.9 131.3 27.3 85.6 38.2 354 358 A K - 0 0 141 13,-0.3 2,-0.4 -2,-0.3 12,-0.4 -0.921 0.7-155.9-116.0 111.5 27.1 85.4 42.0 355 359 A F - 0 0 6 -2,-0.6 2,-0.3 52,-0.1 10,-0.2 -0.690 11.1-170.8 -87.3 135.7 23.7 85.6 43.7 356 360 A E B -N 364 0D 103 8,-2.2 8,-2.4 -2,-0.4 3,-0.1 -0.890 8.5-165.0-118.3 151.3 23.8 86.7 47.2 357 361 A K + 0 0 40 -2,-0.3 2,-1.8 6,-0.2 -1,-0.2 0.691 47.9 110.8 -97.6 -95.8 20.8 86.7 49.6 358 362 A G + 0 0 72 1,-0.2 -1,-0.1 2,-0.1 5,-0.1 -0.419 62.7 76.3 65.3 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54.1 -62.4 -40.1 9.1 44.1 22.3 505 512 A A H > S+ 0 0 44 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.915 111.5 44.0 -62.3 -44.6 8.2 43.9 26.0 506 513 A T H > S+ 0 0 2 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.935 114.0 50.9 -64.9 -47.4 11.0 46.1 27.1 507 514 A I H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 3,-0.4 0.927 111.9 48.4 -52.5 -48.9 10.3 48.5 24.3 508 515 A D H X S+ 0 0 76 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.873 103.5 60.0 -60.2 -45.0 6.6 48.6 25.3 509 516 A L H < S+ 0 0 2 -4,-2.7 9,-3.8 1,-0.2 -1,-0.2 0.864 115.6 35.5 -55.2 -31.4 7.4 49.2 28.9 510 517 A I H < S+ 0 0 0 -4,-1.3 9,-2.3 -3,-0.4 10,-0.4 0.927 133.5 19.5 -91.0 -48.3 9.2 52.4 27.9 511 518 A D H < S+ 0 0 17 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.559 83.5 131.8-108.0 -0.4 7.3 53.7 25.1 512 519 A G <> - 0 0 13 -4,-2.9 5,-2.9 -5,-0.2 8,-0.4 0.002 36.7-162.7 -49.0 145.0 3.8 52.1 25.2 513 520 A R B 5S+P 516 0F 200 1,-0.3 -1,-0.1 3,-0.3 -5,-0.0 0.803 73.4 49.7 -98.9 -41.3 0.7 54.4 24.9 514 521 A Q T 5S+ 0 0 158 1,-0.5 -1,-0.3 2,-0.1 3,-0.0 -0.852 122.2 23.4-152.1 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-92.7 1.1 14.2 59.7 38.9 575 582 A Q T 3 S- 0 0 46 -16,-0.3 -113,-0.3 1,-0.3 -2,-0.1 -0.284 82.1 -0.6 -52.3 129.1 15.7 62.7 40.5 576 583 A D T 3> S+ 0 0 83 1,-0.1 4,-2.6 -115,-0.1 -1,-0.3 0.396 88.9 130.2 70.8 4.3 14.9 65.7 38.3 577 584 A W H <> S+ 0 0 1 -3,-2.6 4,-2.0 1,-0.2 5,-0.2 0.872 70.4 53.6 -56.0 -40.2 13.0 63.8 35.6 578 585 A L H > S+ 0 0 13 -4,-0.3 4,-1.6 1,-0.2 5,-0.3 0.950 113.4 43.7 -59.5 -43.5 10.0 66.2 35.7 579 586 A E H > S+ 0 0 96 1,-0.2 4,-3.9 2,-0.2 -2,-0.2 0.910 112.2 51.4 -65.4 -44.4 12.3 69.1 35.0 580 587 A K H < S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.780 109.8 52.0 -59.6 -34.8 14.3 67.2 32.4 581 588 A N H < S+ 0 0 0 -4,-2.0 38,-2.4 -5,-0.2 39,-0.2 0.785 119.7 33.4 -74.0 -33.0 11.0 66.4 30.6 582 589 A K H < S- 0 0 82 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.824 84.7-162.1 -90.0 -40.3 9.8 69.9 30.6 583 590 A D < - 0 0 63 -4,-3.9 -3,-0.1 -5,-0.3 -4,-0.1 0.953 24.3-155.6 54.7 53.5 13.2 71.5 30.2 584 591 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.247 24.9-177.4 -68.2 149.1 11.9 74.9 31.4 585 592 A L - 0 0 29 -165,-0.0 5,-0.1 -168,-0.0 -172,-0.0 -0.982 38.6-105.8-142.3 122.6 13.2 78.3 30.7 586 593 A Q >> - 0 0 61 -2,-0.3 4,-1.6 1,-0.1 3,-1.0 -0.254 26.1-133.0 -51.5 130.4 11.6 81.4 32.2 587 594 A Q H 3> S+ 0 0 85 1,-0.3 4,-3.1 2,-0.2 3,-0.2 0.900 105.2 56.6 -54.0 -47.4 9.6 83.3 29.6 588 595 A D H 3> S+ 0 0 22 -195,-0.3 4,-3.3 1,-0.3 -1,-0.3 0.840 103.8 57.3 -57.8 -26.2 11.0 86.7 30.5 589 596 A L H <> S+ 0 0 0 -3,-1.0 4,-2.1 2,-0.2 -1,-0.3 0.939 106.6 46.9 -66.8 -42.0 14.3 85.1 29.8 590 597 A E H X S+ 0 0 24 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.945 113.0 50.2 -60.1 -48.2 13.2 84.2 26.4 591 598 A L H X S+ 0 0 52 -4,-3.1 4,-1.2 2,-0.2 -2,-0.2 0.947 105.4 55.8 -56.0 -52.7 11.9 87.7 26.0 592 599 A C H >< S+ 0 0 10 -4,-3.3 3,-0.5 1,-0.3 -211,-0.2 0.916 118.2 34.9 -43.2 -54.9 15.2 89.3 27.2 593 600 A F H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.687 100.5 73.9 -78.2 -23.9 17.0 87.4 24.5 594 601 A K H 3< S+ 0 0 77 -4,-2.4 2,-0.8 1,-0.2 -1,-0.2 0.836 101.0 52.2 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18.7 10.5 745 756 A E T 3< S+ 0 0 75 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.225 81.1 96.9 -75.9 12.8 41.3 16.6 13.6 746 757 A A S < S- 0 0 32 -3,-2.0 -49,-0.1 1,-0.1 2,-0.1 -0.495 75.7 -97.0-101.4 176.0 41.9 13.5 11.5 747 758 A R 0 0 83 -2,-0.1 -1,-0.1 1,-0.1 -722,-0.0 -0.193 360.0 360.0 -83.0 174.4 45.0 11.8 9.9 748 759 A E 0 0 109 -51,-0.1 -1,-0.1 -2,-0.1 -723,-0.0 0.743 360.0 360.0 -90.0 360.0 46.5 12.1 6.4