==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOTOR PROTEIN 07-DEC-10 2Y0R . COMPND 2 MOLECULE: MYOSIN-2 HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR M.PRELLER,S.BAUER,N.ADAMEK,S.FUJITA-BECKER,R.FEDOROV,M.A.GEE . 758 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.9 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 63 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 4 3 2 2 0 4 0 1 1 2 1 0 2 0 1 0 0 0 0 0 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 3 7 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 1 0 0 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 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 X N 0 0 133 0, 0.0 9,-0.2 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0 48.0 -3.7 52.7 45.8 2 3 X P - 0 0 45 0, 0.0 6,-0.2 0, 0.0 8,-0.1 0.276 360.0 -51.4 -85.4-144.0 -3.6 49.2 44.2 3 4 X I S S+ 0 0 47 1,-0.2 5,-0.0 138,-0.1 138,-0.0 0.600 133.7 70.0 -65.7 -9.4 -1.7 48.2 41.1 4 5 X H S S+ 0 0 152 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.995 76.8 70.9 -75.4 -68.7 -3.5 51.2 39.7 5 6 X D > - 0 0 57 1,-0.2 3,-0.9 2,-0.1 6,-0.3 -0.355 64.5-161.4 -57.8 115.2 -2.0 54.4 41.3 6 7 X R T 3 S+ 0 0 86 -2,-0.3 -1,-0.2 1,-0.2 12,-0.1 0.371 83.3 64.2 -82.6 5.1 1.4 54.7 39.8 7 8 X T T 3 S+ 0 0 100 4,-0.0 -1,-0.2 5,-0.0 2,-0.2 0.032 78.4 111.4-116.2 25.3 2.6 57.0 42.6 8 9 X S S <> S- 0 0 12 -3,-0.9 4,-2.1 -6,-0.2 3,-0.3 -0.556 82.4-110.2 -94.1 163.0 2.3 54.5 45.4 9 10 X D H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.750 119.6 61.1 -63.2 -23.2 5.1 52.9 47.4 10 11 X Y H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 110.1 38.0 -67.5 -46.3 4.3 49.7 45.7 11 12 X H H 4 S+ 0 0 27 -6,-0.3 4,-0.4 -3,-0.3 -2,-0.2 0.785 118.5 53.1 -71.6 -28.6 5.0 51.2 42.2 12 13 X K H < S+ 0 0 126 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.852 124.8 18.2 -75.9 -37.4 7.9 53.1 43.7 13 14 X Y H < S+ 0 0 65 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.622 131.4 37.0-114.7 -18.7 9.8 50.2 45.4 14 15 X L S < S+ 0 0 9 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.355 109.0 60.8-118.2 3.2 8.5 47.0 43.8 15 16 X K S S- 0 0 54 -4,-0.4 2,-0.8 -5,-0.2 -1,-0.0 -0.956 79.6-112.8-135.9 150.6 8.0 48.1 40.2 16 17 X V - 0 0 59 -2,-0.3 -4,-0.1 70,-0.1 -3,-0.1 -0.745 54.2-100.4 -80.4 112.4 10.0 49.5 37.2 17 18 X K - 0 0 149 -2,-0.8 2,-0.3 -5,-0.1 -1,-0.1 -0.117 40.1-131.7 -42.9 123.1 8.7 53.0 36.7 18 19 X Q - 0 0 116 1,-0.1 -1,-0.1 -12,-0.1 -12,-0.0 -0.492 19.2-154.0-105.0 118.2 6.3 52.8 33.8 19 20 X G - 0 0 46 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.306 21.8 -97.3 -74.8-153.5 6.7 55.4 31.0 20 21 X D S S+ 0 0 131 2,-0.0 -1,-0.2 0, 0.0 2,-0.0 -0.597 81.0 26.6-121.6-173.1 4.0 56.6 28.6 21 22 X S - 0 0 90 -2,-0.2 3,-0.1 1,-0.1 5,-0.1 -0.366 59.8-156.5 59.7-135.4 2.8 55.9 25.1 22 23 X D + 0 0 123 1,-0.5 4,-0.2 -2,-0.0 -1,-0.1 -0.003 53.5 91.8 157.1 -32.6 3.7 52.2 24.2 23 24 X L S S- 0 0 77 2,-0.1 2,-1.4 1,-0.1 -1,-0.5 -0.118 103.2 -42.7 -87.8-165.5 3.9 52.0 20.4 24 25 X F S S+ 0 0 73 1,-0.3 -1,-0.1 -3,-0.1 4,-0.1 0.379 125.1 76.7 -58.1 -1.4 6.8 52.4 18.0 25 26 X K S S+ 0 0 153 -2,-1.4 2,-0.4 2,-0.1 -1,-0.3 -0.022 74.1 89.9-104.8 32.9 7.9 55.4 20.1 26 27 X L S S- 0 0 56 -4,-0.2 -5,-0.0 -3,-0.2 0, 0.0 -0.983 102.4 -57.7-125.0 137.6 9.4 53.5 23.0 27 28 X T - 0 0 120 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.332 67.3-171.4 -12.5 113.4 13.0 52.4 23.2 28 29 X V - 0 0 73 -4,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.974 13.5-156.8-124.9 136.5 13.5 50.3 20.1 29 30 X S + 0 0 47 -2,-0.4 3,-0.0 1,-0.1 54,-0.0 -0.855 16.6 172.0-108.9 145.8 16.5 48.1 19.0 30 31 X D + 0 0 103 -2,-0.4 2,-0.2 726,-0.0 -1,-0.1 0.105 61.5 60.7-135.2 19.2 17.3 47.1 15.5 31 32 X K S S- 0 0 117 724,-0.0 2,-0.4 19,-0.0 -2,-0.0 -0.776 73.4-112.3-141.1 179.5 20.7 45.5 15.9 32 33 X R + 0 0 78 19,-0.3 19,-1.6 -2,-0.2 2,-0.2 -0.975 25.6 178.1-131.1 134.3 22.4 42.6 17.8 33 34 X Y - 0 0 75 -2,-0.4 46,-0.3 46,-0.3 2,-0.3 -0.452 9.2-152.9-118.0-170.2 25.0 42.4 20.6 34 35 X I - 0 0 2 44,-0.2 15,-2.2 -2,-0.2 2,-0.8 -0.986 22.6-112.0-162.7 158.8 26.8 39.8 22.6 35 36 X W E +AB 48 77A 30 42,-0.8 42,-0.7 -2,-0.3 2,-0.2 -0.848 46.5 158.5-102.7 101.6 28.4 39.1 26.0 36 37 X Y E -A 47 0A 13 11,-2.0 11,-2.8 -2,-0.8 -2,-0.0 -0.620 35.1-121.8-111.0 174.6 32.2 38.7 25.6 37 38 X N - 0 0 18 9,-0.3 9,-0.2 -2,-0.2 7,-0.0 -0.975 1.3-152.3-126.3 123.6 35.0 39.0 28.1 38 39 X P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.847 90.7 59.7 -56.3 -39.3 38.0 41.4 27.7 39 40 X D S S- 0 0 73 6,-0.5 6,-0.2 3,-0.2 0, 0.0 -0.855 73.9-158.1 -96.7 123.6 40.2 39.0 29.8 40 41 X P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.921 89.9 34.0 -67.4 -48.6 40.5 35.5 28.2 41 42 X K S S+ 0 0 175 2,-0.0 2,-0.5 1,-0.0 -2,-0.0 0.908 101.5 82.6 -76.7 -44.7 41.4 33.5 31.3 42 43 X E - 0 0 72 1,-0.2 3,-0.3 2,-0.1 -3,-0.2 -0.495 58.9-174.5 -65.7 114.7 39.4 35.5 33.8 43 44 X R + 0 0 141 -2,-0.5 2,-1.6 1,-0.2 -1,-0.2 0.916 68.1 63.8 -78.3 -45.6 35.8 34.2 33.6 44 45 X D S S+ 0 0 26 1,-0.1 625,-0.4 -7,-0.0 2,-0.2 -0.262 86.0 77.4 -88.1 52.1 33.9 36.5 35.9 45 46 X S + 0 0 33 -2,-1.6 -6,-0.5 -3,-0.3 2,-0.2 -0.743 58.4 173.7-157.8 108.0 34.3 39.8 34.0 46 47 X Y - 0 0 39 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.3 -0.584 12.5-165.2-118.3 172.4 32.2 40.5 30.9 47 48 X E E -A 36 0A 64 -11,-2.8 -11,-2.0 -2,-0.2 2,-0.1 -0.990 33.4 -88.0-157.2 153.3 31.5 43.4 28.4 48 49 X C E -A 35 0A 44 -2,-0.3 -13,-0.2 -13,-0.2 2,-0.1 -0.378 45.7-167.7 -68.9 141.5 29.0 44.3 25.7 49 50 X G - 0 0 3 -15,-2.2 2,-0.3 -2,-0.1 14,-0.2 -0.185 17.2-132.2-112.1-158.9 29.8 43.1 22.2 50 51 X E E -C 62 0B 43 12,-0.6 12,-0.8 -17,-0.2 2,-0.6 -0.917 11.7-146.5-161.6 140.5 28.6 43.7 18.6 51 52 X I E +C 61 0B 15 -19,-1.6 -19,-0.3 -2,-0.3 10,-0.2 -0.979 31.8 155.2-122.5 118.7 27.8 40.9 16.1 52 53 X V + 0 0 104 8,-0.7 2,-0.4 -2,-0.6 9,-0.1 0.581 62.5 46.7-124.1 -21.4 28.8 42.0 12.6 53 54 X S - 0 0 42 7,-0.3 7,-1.1 1,-0.1 -1,-0.3 -0.958 59.0-175.1-128.6 116.0 29.4 38.8 10.7 54 55 X E + 0 0 97 -2,-0.4 3,-0.5 5,-0.1 -1,-0.1 0.944 23.5 149.4 -76.6 -51.3 26.7 36.0 11.1 55 56 X T > - 0 0 97 1,-0.2 2,-3.1 2,-0.1 3,-0.6 0.666 58.5-113.9 8.4 113.0 28.2 33.0 9.2 56 57 X S T 3 S+ 0 0 111 1,-0.2 -1,-0.2 16,-0.0 3,-0.1 -0.331 106.6 62.7 -65.9 69.8 27.0 29.8 10.9 57 58 X D T 3 S- 0 0 117 -2,-3.1 16,-1.0 1,-0.5 -1,-0.2 0.082 115.2 -18.1-143.9 -71.2 30.4 28.8 12.0 58 59 X S E < -D 72 0C 22 -3,-0.6 -1,-0.5 14,-0.2 2,-0.5 -0.686 61.2-107.1-137.3 173.7 31.4 31.5 14.4 59 60 X F E -D 71 0C 1 12,-5.3 2,-1.4 -2,-0.2 12,-0.8 -0.965 16.7-161.5-115.8 115.8 30.6 35.1 15.5 60 61 X T - 0 0 34 -7,-1.1 -8,-0.7 -2,-0.5 -7,-0.3 -0.640 27.6-178.4 -92.5 76.5 33.1 37.8 14.5 61 62 X F E -C 51 0B 2 -2,-1.4 8,-0.4 -10,-0.2 -10,-0.3 -0.482 22.5-128.0 -78.7 146.2 31.9 40.4 17.1 62 63 X K E -C 50 0B 102 -12,-0.8 -12,-0.6 6,-0.2 6,-0.2 -0.340 23.7-150.5 -79.6 171.4 33.3 43.9 17.4 63 64 X T - 0 0 10 4,-0.9 -1,-0.1 -14,-0.2 5,-0.1 -0.165 23.9-109.9-119.0-147.5 34.5 45.2 20.8 64 65 X V S S+ 0 0 105 -2,-0.1 -15,-0.1 -14,-0.0 -1,-0.0 0.499 110.4 64.2-125.2 -25.0 34.7 48.6 22.4 65 66 X D S S- 0 0 102 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.266 119.7-107.3 -81.6 11.4 38.5 48.9 22.4 66 67 X G S S+ 0 0 62 1,-0.3 -1,-0.1 0, 0.0 2,-0.0 0.127 82.9 117.3 90.6 -20.5 38.1 49.0 18.7 67 68 X Q - 0 0 115 -5,-0.1 -4,-0.9 1,-0.0 2,-0.5 -0.281 58.1-132.5 -82.4 165.9 39.5 45.5 18.1 68 69 X D + 0 0 117 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.0 -0.824 28.1 168.6-126.5 95.0 37.8 42.5 16.6 69 70 X R - 0 0 75 -2,-0.5 2,-0.3 -8,-0.4 -6,-0.0 0.044 19.8-139.3 -81.7-162.4 38.0 39.0 18.2 70 71 X Q + 0 0 126 -10,-0.2 2,-0.3 -12,-0.0 -10,-0.2 -0.964 22.1 166.8-156.4 170.6 36.0 36.0 17.4 71 72 X V E -D 59 0C 27 -12,-0.8 -12,-5.3 -2,-0.3 -14,-0.1 -0.927 23.3-125.8-178.4 159.5 34.1 33.0 18.9 72 73 X K E >> -D 58 0C 115 -14,-0.3 4,-1.6 -2,-0.3 3,-1.4 -0.362 46.4 -72.7-110.8-167.4 31.6 30.3 17.8 73 74 X K T 34 S+ 0 0 92 -16,-1.0 -15,-0.1 1,-0.2 -17,-0.0 -0.143 117.8 69.7 -84.1 41.6 28.2 29.0 18.9 74 75 X D T 34 S+ 0 0 144 -2,-1.0 -1,-0.2 0, 0.0 -16,-0.0 0.469 116.1 15.6-125.3 -19.4 29.7 27.3 22.0 75 76 X D T <4 S+ 0 0 80 -3,-1.4 2,-0.6 0, 0.0 -2,-0.2 0.475 85.4 123.2-131.0 -14.4 30.5 30.4 24.0 76 77 X A < - 0 0 16 -4,-1.6 2,-1.3 1,-0.1 -40,-0.1 -0.380 43.6-164.2 -56.9 105.2 28.6 33.2 22.3 77 78 X N B -B 35 0A 28 -42,-0.7 -42,-0.8 -2,-0.6 -1,-0.1 -0.448 13.5-157.2 -93.1 60.4 26.5 34.5 25.2 78 79 X Q - 0 0 38 -2,-1.3 19,-0.3 -44,-0.2 -44,-0.2 -0.090 15.1-127.5 -41.7 124.4 24.1 36.4 22.9 79 80 X R - 0 0 44 -46,-0.3 -46,-0.3 1,-0.1 -1,-0.1 -0.513 20.6-110.1 -82.5 147.7 22.6 39.2 25.0 80 81 X N - 0 0 8 -2,-0.2 5,-0.1 15,-0.1 -1,-0.1 -0.414 41.4 -87.6 -74.5 149.3 18.9 39.7 25.3 81 82 X P >> - 0 0 50 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.240 40.4-116.5 -51.5 143.6 17.0 42.7 23.7 82 83 X I G >4 S+ 0 0 88 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.703 108.6 75.3 -63.5 -22.4 17.0 45.6 26.1 83 84 X K G 34 S+ 0 0 128 1,-0.2 -1,-0.3 3,-0.1 -55,-0.0 0.672 96.9 52.8 -63.5 -12.7 13.2 45.6 26.4 84 85 X F G X4 S+ 0 0 41 -3,-2.1 3,-3.1 2,-0.1 -1,-0.2 0.770 77.3 108.8 -90.8 -31.0 13.8 42.6 28.6 85 86 X D T << S+ 0 0 36 -3,-0.5 19,-0.1 -4,-0.5 20,-0.1 -0.179 86.4 28.5 -42.1 146.1 16.3 44.3 30.9 86 87 X G T 3 S+ 0 0 12 18,-0.3 -1,-0.3 1,-0.2 -70,-0.1 0.265 81.7 155.0 80.2 -10.8 14.1 44.5 34.0 87 88 X V < - 0 0 21 -3,-3.1 -1,-0.2 1,-0.1 3,-0.1 -0.161 40.8-144.3 -52.0 141.5 11.8 41.5 33.6 88 89 X E S S+ 0 0 50 1,-0.2 29,-2.5 28,-0.1 2,-0.5 0.638 89.6 49.6 -83.3 -16.6 10.4 40.1 36.8 89 90 X D B > -e 117 0D 32 27,-0.2 3,-0.9 1,-0.1 -1,-0.2 -0.943 61.7-164.8-129.6 111.3 10.6 36.6 35.5 90 91 X M G > S+ 0 0 3 27,-2.8 3,-1.1 -2,-0.5 28,-0.2 0.531 77.8 91.9 -67.4 -4.6 13.8 35.3 33.9 91 92 X S G 3 S+ 0 0 2 26,-0.4 603,-2.9 1,-0.2 -1,-0.3 0.343 84.8 50.4 -74.0 9.1 11.7 32.5 32.5 92 93 X E G < S+ 0 0 55 -3,-0.9 -1,-0.2 601,-0.2 2,-0.2 0.491 73.9 123.6-123.3 -12.9 11.1 34.6 29.4 93 94 X L < - 0 0 3 -3,-1.1 654,-0.1 1,-0.2 655,-0.1 -0.364 56.1-145.6 -58.4 118.8 14.7 35.6 28.4 94 95 X S S S+ 0 0 13 -2,-0.2 2,-0.4 656,-0.1 -1,-0.2 0.866 90.8 41.5 -51.9 -39.4 15.3 34.4 24.9 95 96 X Y - 0 0 38 -18,-0.1 -15,-0.1 1,-0.1 -3,-0.1 -0.918 65.3-169.1-114.0 139.3 18.9 33.7 25.9 96 97 X L + 0 0 15 -2,-0.4 589,-0.1 4,-0.1 588,-0.1 -0.067 32.9 145.7-119.2 32.7 19.8 32.2 29.3 97 98 X N > - 0 0 34 -19,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.004 61.4-106.4 -62.1 173.0 23.6 32.7 29.4 98 99 X E H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.940 119.9 42.1 -68.2 -49.1 25.5 33.4 32.7 99 100 X P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.876 111.7 56.7 -66.8 -36.9 26.1 37.1 32.0 100 101 X A H > S+ 0 0 7 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.946 110.1 43.6 -56.9 -50.8 22.6 37.5 30.7 101 102 X V H X S+ 0 0 6 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.850 114.6 50.8 -64.3 -34.8 21.1 36.2 33.9 102 103 X F H X S+ 0 0 8 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.833 106.9 54.5 -71.5 -32.6 23.6 38.3 35.9 103 104 X H H X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.831 103.1 56.5 -70.9 -33.5 22.7 41.5 34.0 104 105 X N H X S+ 0 0 2 -4,-1.5 4,-2.8 2,-0.2 -18,-0.3 0.964 112.8 37.1 -66.4 -54.3 19.0 41.2 34.7 105 106 X L H X S+ 0 0 9 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.601 113.8 62.0 -73.1 -10.2 19.2 41.1 38.5 106 107 X R H X S+ 0 0 83 -4,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.889 109.6 38.3 -76.1 -44.5 22.0 43.6 38.1 107 108 X V H X S+ 0 0 30 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.882 117.3 51.8 -69.6 -40.9 19.6 46.1 36.5 108 109 X R H <>S+ 0 0 4 -4,-2.8 5,-3.0 1,-0.2 3,-0.4 0.877 109.5 51.3 -60.9 -38.5 16.9 45.0 39.0 109 110 X Y H ><5S+ 0 0 10 -4,-1.4 3,-2.4 1,-0.2 -2,-0.2 0.901 101.8 57.2 -69.9 -43.6 19.4 45.6 41.8 110 111 X N H 3<5S+ 0 0 111 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.719 107.8 50.4 -62.0 -20.4 20.4 49.2 40.8 111 112 X Q T 3<5S- 0 0 82 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.117 122.7-108.2-101.8 18.6 16.7 50.1 41.0 112 113 X D T < 5S+ 0 0 55 -3,-2.4 2,-1.0 1,-0.2 -3,-0.2 0.712 75.7 140.0 61.1 22.8 16.4 48.6 44.4 113 114 X L < + 0 0 7 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.812 17.8 165.4 -96.0 96.0 14.4 45.7 43.0 114 115 X I + 0 0 10 -2,-1.0 11,-1.9 -3,-0.1 2,-0.5 0.602 49.0 78.5 -92.6 -14.3 15.9 42.8 45.0 115 116 X Y E + F 0 124D 5 37,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.845 53.6 164.5-101.1 131.7 13.2 40.1 44.3 116 117 X T E - 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0 0 56 1,-0.3 5,-0.0 -2,-0.1 -1,-0.0 -0.776 46.0 -19.6-149.2-170.2 31.8 41.0 86.3 299 300 X G > - 0 0 35 -2,-0.2 3,-0.8 1,-0.1 -1,-0.3 0.138 54.8-116.5 -43.8 151.5 32.8 42.7 83.1 300 301 X P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 0.308 116.1 45.5 -72.8 9.9 32.1 41.4 79.6 301 302 X E T 3 S+ 0 0 126 6,-0.0 5,-0.1 7,-0.0 -2,-0.1 0.496 89.7 78.8-126.2 -16.5 35.9 41.1 79.0 302 303 X S S < S+ 0 0 62 -3,-0.8 2,-0.5 4,-0.1 -3,-0.1 0.177 79.9 89.4 -81.5 18.8 37.0 39.5 82.3 303 304 X F S >> S- 0 0 5 1,-0.1 3,-2.8 -5,-0.0 4,-0.6 -0.975 73.7-142.7-122.7 123.3 35.8 36.2 80.9 304 305 X N T 34 S+ 0 0 52 -2,-0.5 4,-0.4 1,-0.3 3,-0.1 0.642 102.5 60.9 -56.3 -16.0 38.2 33.9 78.9 305 306 X Y T 34 S+ 0 0 9 46,-0.2 -1,-0.3 1,-0.2 -29,-0.1 0.354 115.2 30.8 -91.6 4.7 35.2 33.0 76.7 306 307 X L T <4 S+ 0 0 0 -3,-2.8 -2,-0.2 -5,-0.1 5,-0.2 0.298 109.9 59.6-145.4 8.1 34.6 36.6 75.6 307 308 X N S < S+ 0 0 50 -4,-0.6 4,-0.2 -3,-0.1 -3,-0.1 0.779 87.5 62.4-112.8 -37.3 38.0 38.4 75.5 308 309 X Q S S+ 0 0 155 -4,-0.4 2,-0.5 2,-0.1 -3,-0.1 0.856 85.2 82.2 -66.4 -36.5 40.4 36.8 73.1 309 310 X S S S- 0 0 4 1,-0.1 2,-3.5 2,-0.1 -37,-0.1 -0.619 97.2-121.5 -65.7 118.4 38.2 37.4 70.1 310 311 X G S S+ 0 0 67 -2,-0.5 2,-0.3 -35,-0.1 -1,-0.1 -0.221 83.7 61.9 -68.1 59.8 39.2 41.0 69.4 311 312 X C + 0 0 37 -2,-3.5 -2,-0.1 -4,-0.2 3,-0.1 -0.875 39.2 160.1-178.4 143.2 35.7 42.5 69.8 312 313 X V + 0 0 27 1,-0.3 2,-0.5 -2,-0.3 -31,-0.1 0.535 65.8 50.1-132.2 -67.6 33.0 42.9 72.3 313 314 X D S S- 0 0 100 1,-0.0 -1,-0.3 -38,-0.0 2,-0.1 -0.730 78.0-133.0 -90.3 123.0 30.4 45.6 71.7 314 315 X I > - 0 0 23 -2,-0.5 2,-1.1 -3,-0.1 3,-0.6 -0.332 19.1-106.4 -78.5 155.0 28.8 45.6 68.2 315 316 X K T 3 S+ 0 0 196 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.638 96.9 25.1 -87.8 91.1 28.3 48.5 65.9 316 317 X G T 3 S+ 0 0 83 -2,-1.1 2,-0.3 1,-0.4 -1,-0.2 0.190 113.0 33.4 151.9 -20.0 24.7 49.7 65.6 317 318 X V < - 0 0 61 -3,-0.6 -1,-0.4 4,-0.0 2,-0.1 -0.960 66.7-118.8-152.6 166.3 22.8 48.7 68.8 318 319 X S - 0 0 44 -2,-0.3 4,-0.1 1,-0.1 -36,-0.1 -0.285 13.7-140.6 -97.1-171.2 23.2 48.1 72.5 319 320 X D S > S+ 0 0 12 -2,-0.1 4,-1.1 -38,-0.1 5,-0.2 0.709 90.9 60.6-121.5 -44.5 22.7 44.9 74.6 320 321 X S T 4 S+ 0 0 42 1,-0.2 4,-0.3 2,-0.2 -38,-0.0 0.820 107.1 52.8 -57.5 -31.1 20.9 45.8 77.8 321 322 X E T >> S+ 0 0 61 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.912 107.9 47.5 -71.3 -44.9 18.1 47.1 75.7 322 323 X E H 3> S+ 0 0 80 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.588 100.5 68.4 -74.3 -9.5 17.7 43.9 73.7 323 324 X F H 3X S+ 0 0 3 -4,-1.1 4,-1.8 2,-0.2 -1,-0.3 0.663 94.2 59.8 -78.2 -17.4 17.9 42.0 77.0 324 325 X K H <> S+ 0 0 135 -3,-1.3 4,-2.2 -4,-0.3 -2,-0.2 0.956 104.6 45.0 -70.6 -53.9 14.5 43.5 77.6 325 326 X I H X S+ 0 0 59 -4,-0.9 4,-3.0 2,-0.2 5,-0.2 0.797 111.5 56.8 -61.6 -29.4 12.8 42.0 74.6 326 327 X T H X S+ 0 0 3 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.983 113.8 35.1 -65.7 -59.2 14.5 38.7 75.5 327 328 X R H X S+ 0 0 69 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.748 118.3 57.2 -65.9 -23.0 13.0 38.5 79.0 328 329 X Q H >X S+ 0 0 109 -4,-2.2 3,-0.8 2,-0.2 4,-0.7 0.956 110.0 40.4 -71.2 -52.4 9.9 40.1 77.6 329 330 X A H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.763 109.2 64.9 -65.3 -25.1 9.3 37.4 74.9 330 331 X M H 3< S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.804 107.1 39.2 -69.1 -30.2 10.3 34.9 77.6 331 332 X D H << S+ 0 0 75 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.485 111.3 59.0 -98.5 -5.7 7.3 35.7 79.7 332 333 X I H < S+ 0 0 58 -4,-0.7 -2,-0.2 -3,-0.1 -3,-0.1 0.831 110.9 40.5 -84.9 -38.7 5.0 36.0 76.7 333 334 X V S < S- 0 0 2 -4,-1.9 -2,-0.2 -117,-0.1 -3,-0.1 0.712 129.6 -97.1 -79.8 -22.5 5.6 32.5 75.6 334 335 X G + 0 0 30 -4,-0.5 2,-0.3 -5,-0.2 -3,-0.2 0.769 59.5 157.1 104.1 88.9 5.5 31.3 79.2 335 336 X F - 0 0 8 -5,-0.1 -1,-0.2 0, 0.0 5,-0.2 -0.921 46.4-110.8-142.0 114.4 8.6 30.8 81.3 336 337 X S > - 0 0 60 -2,-0.3 4,-1.6 1,-0.2 3,-0.2 -0.084 24.2-126.4 -41.2 132.4 8.5 30.9 85.1 337 338 X Q H > S+ 0 0 119 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.815 117.8 47.5 -53.4 -29.7 10.3 34.1 86.3 338 339 X E H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.798 106.0 56.0 -79.8 -32.4 12.3 31.6 88.4 339 340 X E H > S+ 0 0 41 -3,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.695 105.1 55.4 -71.1 -19.3 12.8 29.3 85.4 340 341 X Q H X S+ 0 0 6 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.838 105.4 48.9 -81.5 -37.3 14.4 32.4 83.7 341 342 X M H X S+ 0 0 50 -4,-1.0 4,-3.1 2,-0.2 -2,-0.2 0.901 109.4 55.0 -64.1 -41.1 16.9 32.9 86.5 342 343 X S H X S+ 0 0 9 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.913 107.0 49.2 -56.9 -46.2 17.7 29.2 86.1 343 344 X I H X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.895 114.2 46.0 -59.9 -41.6 18.4 29.7 82.4 344 345 X F H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.873 104.2 61.0 -70.8 -38.9 20.6 32.7 83.2 345 346 X K H X S+ 0 0 72 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.841 107.3 46.4 -57.9 -34.6 22.5 30.8 86.0 346 347 X I H X S+ 0 0 2 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.906 110.7 51.3 -72.5 -43.3 23.6 28.3 83.4 347 348 X I H X S+ 0 0 0 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.815 116.0 43.7 -60.3 -30.7 24.6 31.0 81.0 348 349 X A H >X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 3,-0.5 0.875 110.8 52.7 -81.7 -41.9 26.5 32.5 83.9 349 350 X G H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.8 0.917 101.9 60.3 -58.9 -45.4 28.0 29.2 85.1 350 351 X I H 3X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.3 -1,-0.2 0.834 100.9 57.0 -50.1 -35.7 29.3 28.5 81.6 351 352 X L H < S+ 0 0 3 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.824 104.8 53.7 -65.4 -30.5 34.1 27.2 83.7 354 355 X G H 3< S+ 0 0 4 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.700 102.6 59.4 -74.0 -20.4 35.9 29.1 81.0 355 356 X N T 3< S+ 0 0 39 -4,-0.5 2,-1.1 -3,-0.4 18,-0.3 0.163 75.3 108.6 -91.7 9.8 37.7 31.0 83.7 356 357 X I < - 0 0 5 -3,-1.0 2,-0.8 17,-0.1 -1,-0.1 -0.702 55.0-163.3 -89.4 84.6 39.3 27.9 85.1 357 358 X K - 0 0 152 -2,-1.1 2,-0.3 13,-0.1 13,-0.2 -0.558 13.3-140.7 -72.9 105.5 43.0 28.2 84.2 358 359 X F - 0 0 13 -2,-0.8 2,-0.2 52,-0.1 10,-0.2 -0.496 20.2-163.8 -74.3 127.1 44.5 24.7 84.6 359 360 X E E -N 367 0F 79 8,-1.1 8,-2.9 -2,-0.3 2,-0.3 -0.701 20.2-105.1-110.6 160.8 48.1 24.7 86.1 360 361 X K E +N 366 0F 154 -2,-0.2 6,-0.2 6,-0.2 4,-0.1 -0.604 41.0 164.2 -86.5 142.1 50.9 22.1 86.2 361 362 X G + 0 0 34 4,-1.3 2,-0.8 2,-0.4 -1,-0.1 0.057 53.1 0.3-123.2-128.6 51.7 20.3 89.4 362 363 X A S S- 0 0 97 4,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.586 113.2 -58.7 -73.5 107.9 53.7 17.2 90.4 363 364 X G S S+ 0 0 69 -2,-0.8 -2,-0.4 -3,-0.1 0, 0.0 -0.279 117.4 1.6 51.6-137.9 55.0 15.8 87.1 364 365 X E S S+ 0 0 151 -4,-0.1 45,-0.1 45,-0.1 44,-0.1 -0.220 104.6 66.0 -70.3 168.1 52.1 15.1 84.8 365 366 X G S S- 0 0 7 42,-0.1 -4,-1.3 -4,-0.1 44,-0.3 0.328 78.4-105.0 87.1 136.6 48.5 15.8 85.9 366 367 X A E -N 360 0F 1 42,-2.2 2,-0.3 -6,-0.2 -6,-0.2 -0.310 22.5-150.7 -90.3 174.0 47.2 19.3 86.5 367 368 X V E -N 359 0F 46 -8,-2.9 2,-1.5 -6,-0.1 -8,-1.1 -0.960 13.6-144.4-148.2 127.2 46.3 21.2 89.7 368 369 X L + 0 0 11 -2,-0.3 -10,-0.1 1,-0.2 -8,-0.0 -0.554 29.8 168.8 -88.8 70.6 43.7 23.9 90.2 369 370 X K + 0 0 169 -2,-1.5 2,-1.0 1,-0.2 -1,-0.2 0.901 69.0 54.0 -48.3 -49.2 45.9 25.9 92.7 370 371 X D - 0 0 109 -13,-0.2 2,-1.5 -3,-0.2 3,-0.4 -0.774 67.5-174.2 -95.1 97.6 43.4 28.8 92.6 371 372 X K + 0 0 103 -2,-1.0 -1,-0.1 1,-0.2 -2,-0.1 -0.445 50.7 109.4 -87.3 62.4 40.0 27.5 93.4 372 373 X T S > S+ 0 0 93 -2,-1.5 4,-1.3 3,-0.1 -1,-0.2 0.865 77.6 32.6-100.2 -56.0 38.3 30.8 92.6 373 374 X A H > S+ 0 0 14 -3,-0.4 4,-2.8 -18,-0.3 5,-0.2 0.858 115.1 57.0 -75.5 -37.5 36.3 30.4 89.4 374 375 X L H > S+ 0 0 5 -4,-0.3 4,-3.0 2,-0.2 5,-0.2 0.917 105.0 52.8 -59.7 -45.1 35.3 26.8 89.9 375 376 X N H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.932 112.6 43.5 -56.0 -49.2 33.7 27.5 93.2 376 377 X A H X S+ 0 0 15 -4,-1.3 4,-1.7 1,-0.2 3,-0.3 0.902 113.6 52.7 -62.2 -41.7 31.6 30.3 91.7 377 378 X A H X S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.890 111.5 45.3 -60.3 -41.5 30.9 28.0 88.7 378 379 X S H X>S+ 0 0 3 -4,-3.0 4,-1.8 1,-0.2 5,-1.1 0.664 106.3 64.4 -77.2 -17.3 29.7 25.2 91.1 379 380 X T H <5S+ 0 0 82 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.974 104.3 40.4 -69.2 -57.0 27.7 27.7 93.1 380 381 X V H <5S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.785 116.8 52.6 -64.5 -28.8 25.2 28.7 90.4 381 382 X F H <5S- 0 0 2 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.960 100.1-129.1 -72.8 -53.8 24.9 25.0 89.2 382 383 X G T <5 + 0 0 21 -4,-1.8 221,-2.1 1,-0.3 2,-0.3 0.697 60.6 129.2 104.2 31.0 24.1 23.3 92.5 383 384 X V < - 0 0 11 -5,-1.1 -1,-0.3 219,-0.2 -2,-0.1 -0.790 69.5 -90.5-116.3 159.5 26.8 20.6 92.4 384 385 X N > - 0 0 86 214,-0.3 4,-3.2 -2,-0.3 5,-0.3 -0.575 29.6-157.7 -71.9 108.6 29.5 19.4 94.8 385 386 X P H > S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.803 91.8 55.8 -56.1 -32.5 32.6 21.5 94.1 386 387 X S H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.950 114.7 35.3 -66.6 -51.4 34.7 18.8 95.7 387 388 X V H > S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.843 117.6 53.9 -72.5 -33.8 33.4 16.0 93.5 388 389 X L H < S+ 0 0 8 -4,-3.2 4,-0.5 2,-0.2 -2,-0.2 0.890 104.7 58.9 -63.3 -39.3 33.2 18.3 90.5 389 390 X E H >< S+ 0 0 26 -4,-2.0 3,-0.9 -5,-0.3 4,-0.3 0.963 115.9 28.8 -52.9 -62.3 36.8 19.2 91.1 390 391 X K H 3X S+ 0 0 91 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.549 110.2 68.6 -84.1 -8.8 38.3 15.7 90.8 391 392 X A T 3< S+ 0 0 9 -4,-1.4 204,-0.3 1,-0.2 -1,-0.2 0.552 106.5 44.0 -79.5 -7.4 35.6 14.5 88.4 392 393 X L T <4 S+ 0 0 7 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.483 129.0 24.4-112.9 -10.3 37.2 17.0 85.9 393 394 X M T 4 S+ 0 0 14 -4,-0.3 15,-1.3 -5,-0.1 -2,-0.2 0.381 131.1 36.7-132.1 -5.2 40.9 16.1 86.7 394 395 X E S < S+ 0 0 72 -4,-1.7 13,-0.2 13,-0.2 2,-0.1 -0.352 73.0 163.6-147.9 60.4 40.5 12.5 88.0 395 396 X P - 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