==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-SEP-13 4MX9 . COMPND 2 MOLECULE: CALMODULIN-LIKE DOMAIN PROTEIN KINASE ISOENZYME G . SOURCE 2 ORGANISM_SCIENTIFIC: NEOSPORA CANINUM; . AUTHOR E.A.MERRITT . 459 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 3 1 0 0 0 4 3 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 2 0 1 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 . 2 0 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 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 42 A S 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 70.8 14.0 -26.2 -55.0 2 43 A T - 0 0 142 1,-0.1 74,-0.0 74,-0.0 0, 0.0 -0.156 360.0-119.5 -51.5 130.6 12.8 -24.5 -51.8 3 44 A A - 0 0 72 1,-0.1 2,-0.5 2,-0.0 74,-0.3 -0.127 15.0-129.0 -76.2 167.9 9.2 -25.3 -50.9 4 45 A I >> - 0 0 96 1,-0.1 3,-1.7 72,-0.1 4,-0.7 -0.964 9.0-137.6-125.9 123.0 6.2 -23.0 -50.6 5 46 A F H >> S+ 0 0 8 -2,-0.5 4,-2.1 1,-0.3 3,-1.4 0.855 101.3 49.9 -45.1 -52.9 3.8 -22.9 -47.7 6 47 A S H 34 S+ 0 0 33 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.565 100.8 65.1 -72.8 -9.6 0.5 -22.6 -49.6 7 48 A D H <4 S+ 0 0 116 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.695 116.2 28.7 -77.1 -22.3 1.4 -25.5 -51.9 8 49 A R H << S+ 0 0 99 -3,-1.4 21,-2.7 -4,-0.7 2,-0.4 0.722 122.0 45.4-107.7 -31.5 1.3 -27.8 -48.8 9 50 A Y E < -A 28 0A 13 -4,-2.1 2,-0.4 19,-0.3 19,-0.2 -0.940 56.2-159.2-123.8 140.3 -1.3 -26.1 -46.5 10 51 A K E -A 27 0A 95 17,-2.2 17,-2.1 -2,-0.4 2,-0.3 -0.949 28.7-118.0-111.7 136.8 -4.7 -24.6 -46.8 11 52 A G E +A 26 0A 43 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.559 30.0 177.2 -71.9 133.4 -6.1 -22.1 -44.2 12 53 A Q E - 0 0 89 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.832 59.6 -36.5-100.3 -53.2 -9.3 -23.3 -42.4 13 54 A R E -A 25 0A 145 12,-1.4 12,-2.9 0, 0.0 -1,-0.4 -0.975 64.6 -84.8-166.4 162.8 -10.0 -20.6 -39.9 14 55 A V E -A 24 0A 57 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.639 29.1-175.2 -80.4 133.6 -8.3 -18.1 -37.6 15 56 A L E - 0 0 62 8,-2.2 2,-0.3 1,-0.4 9,-0.2 0.839 57.9 -61.2 -92.6 -47.1 -7.4 -19.4 -34.1 16 57 A G E -A 23 0A 26 7,-1.9 7,-3.0 2,-0.0 2,-0.5 -0.990 42.3 -88.9-174.9-171.0 -6.1 -16.2 -32.7 17 58 A K E +A 22 0A 89 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.987 50.2 162.3-120.7 124.6 -3.8 -13.2 -32.6 18 59 A G E > -A 21 0A 24 3,-2.5 3,-0.9 -2,-0.5 2,-0.1 -0.521 46.3 -41.9-126.2-166.3 -0.7 -13.7 -30.6 19 60 A S T 3 S+ 0 0 34 1,-0.2 -1,-0.2 -2,-0.2 143,-0.0 -0.464 125.1 5.3 -63.5 134.7 2.7 -12.2 -30.1 20 61 A F T 3 S- 0 0 17 -2,-0.1 21,-0.5 24,-0.1 2,-0.3 0.233 129.1 -40.4 73.4 -11.0 4.4 -11.3 -33.5 21 62 A G E < S-AB 18 40A 7 -3,-0.9 -3,-2.5 19,-0.2 19,-0.2 -0.975 82.6 -24.1 158.9-163.0 1.3 -12.2 -35.6 22 63 A E E -AB 17 39A 77 17,-0.8 17,-2.9 -2,-0.3 2,-0.5 -0.444 38.2-146.8 -82.7 147.3 -1.7 -14.3 -36.5 23 64 A V E -AB 16 38A 30 -7,-3.0 -8,-2.2 15,-0.2 -7,-1.9 -0.986 21.4-170.0-113.6 125.3 -2.2 -17.9 -35.6 24 65 A I E -AB 14 37A 5 13,-2.4 13,-2.8 -2,-0.5 2,-0.5 -0.932 24.6-126.6-120.5 131.4 -4.2 -19.8 -38.3 25 66 A L E -AB 13 36A 10 -12,-2.9 -13,-3.2 -2,-0.4 -12,-1.4 -0.759 42.4-178.6 -77.1 124.6 -5.7 -23.3 -38.2 26 67 A C E -AB 11 35A 0 9,-3.2 9,-2.7 -2,-0.5 2,-0.4 -0.823 20.7-145.0-127.5 160.2 -4.3 -25.0 -41.3 27 68 A K E -AB 10 34A 62 -17,-2.1 -17,-2.2 -2,-0.3 2,-0.2 -0.995 22.0-120.1-132.6 128.5 -4.6 -28.4 -43.0 28 69 A D E > -A 9 0A 10 5,-2.5 4,-1.4 -2,-0.4 -19,-0.3 -0.496 25.9-138.4 -59.6 124.8 -2.0 -30.4 -45.0 29 70 A K T 4 S+ 0 0 94 -21,-2.7 -1,-0.1 -2,-0.2 -20,-0.1 0.534 95.2 29.9 -70.5 -5.3 -3.6 -30.8 -48.5 30 71 A I T 4 S+ 0 0 160 -22,-0.3 -1,-0.1 3,-0.1 -21,-0.1 0.760 126.9 32.4-114.0 -55.7 -2.5 -34.5 -48.7 31 72 A T T 4 S- 0 0 97 2,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.580 92.3-130.1 -84.0 -13.9 -2.3 -36.1 -45.3 32 73 A G < + 0 0 32 -4,-1.4 2,-0.2 1,-0.2 -3,-0.1 0.465 49.3 158.7 76.3 3.5 -5.2 -34.1 -43.7 33 74 A Q - 0 0 127 -6,-0.1 -5,-2.5 1,-0.1 2,-0.3 -0.410 34.5-139.3 -66.8 127.5 -3.1 -33.2 -40.7 34 75 A E E +B 27 0A 82 -7,-0.2 54,-0.4 -2,-0.2 2,-0.3 -0.654 27.9 175.7 -82.3 142.0 -4.4 -30.1 -38.8 35 76 A C E -B 26 0A 4 -9,-2.7 -9,-3.2 -2,-0.3 2,-0.6 -0.986 33.4-122.7-149.3 155.5 -1.8 -27.6 -37.6 36 77 A A E -BC 25 86A 15 50,-2.3 50,-2.9 -2,-0.3 2,-0.6 -0.894 31.2-163.3-100.2 118.9 -1.5 -24.2 -35.9 37 78 A V E -BC 24 85A 0 -13,-2.8 -13,-2.4 -2,-0.6 2,-0.6 -0.920 10.8-153.9-112.6 117.9 0.5 -21.8 -38.0 38 79 A K E -BC 23 84A 17 46,-2.6 46,-2.7 -2,-0.6 2,-0.6 -0.826 14.9-157.6 -86.0 120.5 2.0 -18.5 -36.7 39 80 A V E -BC 22 83A 15 -17,-2.9 -17,-0.8 -2,-0.6 2,-0.6 -0.898 4.2-162.8-105.7 114.2 2.4 -16.1 -39.6 40 81 A I E -BC 21 82A 0 42,-2.7 42,-1.9 -2,-0.6 2,-0.6 -0.872 11.4-143.1-105.1 114.3 5.0 -13.4 -39.0 41 82 A S E >> - C 0 81A 11 -2,-0.6 4,-2.0 -21,-0.5 3,-0.9 -0.671 3.2-151.4 -76.6 113.8 4.7 -10.3 -41.3 42 83 A K T 34 S+ 0 0 57 38,-1.9 -1,-0.1 -2,-0.6 39,-0.1 0.772 95.7 54.3 -56.2 -31.8 8.3 -9.1 -42.1 43 84 A R T 34 S+ 0 0 183 37,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.799 114.8 37.2 -71.6 -34.8 6.9 -5.5 -42.5 44 85 A Q T <4 S+ 0 0 144 -3,-0.9 2,-0.5 1,-0.2 -2,-0.2 0.701 118.8 50.5 -89.5 -23.2 5.2 -5.3 -39.0 45 86 A V S < S- 0 0 12 -4,-2.0 2,-0.3 -25,-0.1 -1,-0.2 -0.961 74.2-151.3-128.3 109.5 7.9 -7.3 -37.1 46 87 A K - 0 0 160 -2,-0.5 115,-2.6 115,-0.2 2,-0.3 -0.589 18.8-122.9 -77.3 140.3 11.6 -6.4 -37.4 47 88 A Q B -E 160 0B 58 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.625 14.7-164.4 -79.1 138.9 14.2 -9.1 -36.9 48 89 A K S S+ 0 0 78 111,-2.2 2,-0.2 -2,-0.3 112,-0.1 0.720 75.6 40.2 -92.1 -28.7 16.9 -8.6 -34.2 49 90 A T S S- 0 0 43 110,-0.7 2,-0.2 1,-0.1 -2,-0.1 -0.455 93.4 -91.8-108.6-179.1 19.3 -11.3 -35.5 50 91 A D > - 0 0 86 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.494 37.6-104.1 -93.1 168.2 20.4 -12.3 -39.1 51 92 A K H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.922 118.5 57.7 -58.7 -45.8 18.9 -15.0 -41.2 52 93 A E H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.880 108.6 47.3 -51.1 -43.7 21.7 -17.5 -40.6 53 94 A S H > S+ 0 0 41 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 111.8 49.2 -68.1 -41.8 21.0 -17.3 -36.8 54 95 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.925 110.1 50.8 -63.5 -45.6 17.2 -17.7 -37.2 55 96 A L H X S+ 0 0 79 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.861 110.2 50.2 -63.9 -34.7 17.5 -20.7 -39.5 56 97 A R H X S+ 0 0 195 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.896 110.7 48.3 -72.0 -40.3 19.8 -22.5 -37.0 57 98 A E H X S+ 0 0 39 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.937 111.9 50.3 -61.4 -48.3 17.5 -21.9 -34.1 58 99 A V H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.923 108.7 52.3 -56.8 -47.2 14.5 -23.2 -36.1 59 100 A Q H < S+ 0 0 100 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.864 113.9 43.5 -58.2 -37.8 16.5 -26.3 -37.1 60 101 A L H >X S+ 0 0 62 -4,-1.7 3,-2.0 2,-0.2 4,-0.7 0.960 109.8 55.2 -71.4 -51.4 17.3 -27.0 -33.4 61 102 A L H >< S+ 0 0 24 -4,-3.3 3,-0.9 1,-0.3 11,-0.4 0.864 102.9 57.6 -50.6 -39.9 13.7 -26.2 -32.2 62 103 A K T 3< S+ 0 0 69 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.749 105.3 51.6 -63.1 -23.7 12.3 -28.8 -34.6 63 104 A Q T <4 S+ 0 0 126 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.2 0.555 89.5 94.4 -92.2 -12.8 14.5 -31.5 -32.9 64 105 A L << - 0 0 16 -3,-0.9 2,-0.4 -4,-0.7 8,-0.3 -0.620 51.7-173.2 -85.0 141.4 13.5 -30.9 -29.4 65 106 A D + 0 0 109 -2,-0.3 5,-0.1 6,-0.1 6,-0.0 -0.960 16.4 149.2-139.7 116.6 10.6 -32.9 -27.8 66 107 A H > - 0 0 35 3,-0.4 3,-1.7 -2,-0.4 53,-0.1 -0.983 48.0-126.8-144.5 141.0 9.1 -32.3 -24.4 67 108 A P T 3 S+ 0 0 70 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.712 110.5 44.3 -60.3 -17.4 5.5 -33.0 -23.2 68 109 A N T 3 S+ 0 0 5 47,-0.1 83,-2.7 82,-0.1 2,-0.4 0.229 98.8 82.1-111.7 10.9 5.2 -29.3 -21.9 69 110 A I B < S-f 151 0C 16 -3,-1.7 -3,-0.4 81,-0.3 83,-0.2 -0.970 87.7-108.8-118.9 130.7 6.7 -27.5 -24.9 70 111 A M - 0 0 55 81,-2.3 2,-0.4 -2,-0.4 -2,-0.1 -0.374 38.0-121.7 -56.0 134.2 4.7 -26.8 -28.1 71 112 A K - 0 0 30 -4,-0.1 16,-2.0 -6,-0.0 2,-0.5 -0.677 20.3-152.8 -85.4 127.9 6.0 -29.0 -30.9 72 113 A L E +D 86 0A 18 -11,-0.4 14,-0.3 -2,-0.4 3,-0.1 -0.901 19.1 171.4-101.7 129.2 7.3 -27.2 -34.0 73 114 A Y E + 0 0 92 12,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.808 56.3 9.3-104.2 -46.5 7.0 -29.2 -37.2 74 115 A E E -D 85 0A 55 11,-1.8 11,-2.9 2,-0.0 2,-0.4 -0.963 48.2-157.1-146.3 155.6 7.9 -26.9 -40.1 75 116 A F E +D 84 0A 29 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 15.3 177.5-138.0 130.4 9.3 -23.5 -41.1 76 117 A F E -D 83 0A 19 7,-2.1 7,-3.1 -2,-0.4 2,-0.4 -0.938 7.3-166.4-131.8 152.7 8.8 -21.6 -44.3 77 118 A E E +D 82 0A 55 -2,-0.3 2,-0.2 -74,-0.3 5,-0.2 -0.998 11.7 164.1-138.8 131.6 9.9 -18.2 -45.7 78 119 A D - 0 0 69 3,-1.7 -74,-0.0 -2,-0.4 3,-0.0 -0.640 57.6 -74.7-122.4-166.9 8.8 -16.1 -48.6 79 120 A K S S+ 0 0 200 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.843 125.7 28.7 -50.7 -44.0 9.2 -12.5 -49.6 80 121 A G S S+ 0 0 24 -38,-0.1 -38,-1.9 -39,-0.0 -37,-0.5 0.601 119.6 8.2-104.9 -17.0 6.6 -11.1 -47.1 81 122 A Y E -C 41 0A 86 -40,-0.2 -3,-1.7 -39,-0.1 2,-0.4 -0.896 54.9-117.6-152.9-179.5 6.5 -13.4 -44.1 82 123 A Y E -CD 40 77A 0 -42,-1.9 -42,-2.7 -2,-0.3 2,-0.5 -0.976 25.0-152.9-123.9 142.5 7.7 -16.3 -42.0 83 124 A Y E -CD 39 76A 20 -7,-3.1 -7,-2.1 -2,-0.4 2,-0.6 -0.964 6.8-169.1-123.5 118.6 5.5 -19.3 -41.3 84 125 A L E -CD 38 75A 16 -46,-2.7 -46,-2.6 -2,-0.5 2,-0.6 -0.912 10.5-158.7-107.2 117.2 5.9 -21.4 -38.1 85 126 A V E +CD 37 74A 0 -11,-2.9 -12,-3.2 -2,-0.6 -11,-1.8 -0.860 23.2 157.1-106.3 114.8 4.0 -24.6 -38.2 86 127 A G E -CD 36 72A 0 -50,-2.9 -50,-2.3 -2,-0.6 -14,-0.2 -0.627 45.5 -74.1-127.2 178.6 3.2 -26.3 -34.9 87 128 A E - 0 0 53 -16,-2.0 2,-0.4 -52,-0.2 -52,-0.1 -0.489 47.8-124.8 -74.2 145.3 0.8 -28.7 -33.2 88 129 A V - 0 0 37 -54,-0.4 2,-0.4 -2,-0.2 -54,-0.1 -0.817 21.5-163.8 -98.2 135.2 -2.7 -27.3 -32.4 89 130 A Y - 0 0 24 -2,-0.4 53,-0.2 1,-0.1 3,-0.2 -0.948 8.4-166.8-120.4 140.5 -4.0 -27.4 -28.9 90 131 A T + 0 0 105 51,-1.9 52,-0.2 -2,-0.4 51,-0.2 0.297 65.1 88.6-116.2 5.1 -7.7 -27.0 -28.1 91 132 A G S S- 0 0 16 49,-2.2 50,-0.2 1,-0.2 -1,-0.1 0.573 80.7-141.1 -82.5 -12.7 -7.9 -26.4 -24.3 92 133 A G - 0 0 38 48,-0.4 48,-2.3 -3,-0.2 -1,-0.2 -0.219 46.5 -24.6 81.6-174.4 -7.5 -22.6 -24.4 93 134 A E B >> -G 139 0C 46 46,-0.2 4,-1.4 1,-0.1 3,-0.8 -0.507 62.3-123.3 -71.8 137.3 -5.4 -20.4 -22.1 94 135 A L H >> S+ 0 0 1 44,-2.5 4,-2.8 41,-0.5 3,-0.5 0.880 107.7 53.2 -45.9 -51.0 -4.9 -21.9 -18.6 95 136 A F H 3> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.817 104.6 55.8 -62.8 -30.5 -6.4 -18.9 -16.7 96 137 A D H <4 S+ 0 0 63 -3,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.827 111.2 45.3 -72.5 -29.1 -9.6 -19.1 -18.7 97 138 A E H XX S+ 0 0 37 -4,-1.4 3,-1.0 -3,-0.5 4,-0.5 0.894 110.3 54.3 -74.0 -43.7 -9.9 -22.8 -17.6 98 139 A I H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.906 102.8 55.3 -58.6 -42.9 -9.1 -22.0 -14.0 99 140 A I T 3< S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.678 99.7 61.9 -69.9 -15.3 -11.8 -19.4 -13.6 100 141 A S T <4 S+ 0 0 79 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.626 89.0 91.7 -81.6 -13.6 -14.5 -21.9 -14.7 101 142 A R << - 0 0 55 -3,-1.6 3,-0.1 -4,-0.5 -3,-0.0 -0.399 60.5-159.5 -74.9 154.3 -13.6 -24.1 -11.7 102 143 A K S S+ 0 0 187 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.506 82.6 48.6-102.5 -11.5 -15.5 -23.8 -8.4 103 144 A R + 0 0 174 182,-0.0 2,-0.3 177,-0.0 -1,-0.2 -0.992 59.3 163.2-132.2 134.4 -12.5 -25.5 -6.5 104 145 A F + 0 0 1 -2,-0.4 177,-2.7 -3,-0.1 2,-0.2 -0.883 11.1 176.2-155.6 119.8 -8.8 -24.7 -6.7 105 146 A S >> - 0 0 5 -2,-0.3 4,-2.2 175,-0.2 3,-0.6 -0.697 49.2 -95.2-122.4 170.2 -6.1 -25.8 -4.2 106 147 A E H 3> S+ 0 0 8 173,-0.5 4,-1.8 1,-0.2 5,-0.1 0.779 124.7 58.9 -51.1 -31.7 -2.3 -25.7 -3.6 107 148 A V H 3> S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 105.3 47.1 -66.1 -43.7 -2.3 -29.2 -5.1 108 149 A D H <> S+ 0 0 28 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.914 113.2 48.8 -62.0 -44.8 -3.8 -27.8 -8.4 109 150 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.831 111.7 49.3 -65.6 -34.1 -1.3 -24.9 -8.4 110 151 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.843 107.9 52.9 -74.8 -38.7 1.7 -27.2 -7.8 111 152 A R H X S+ 0 0 94 -4,-1.9 4,-1.2 158,-0.2 -2,-0.2 0.921 114.0 45.8 -56.1 -47.9 0.6 -29.6 -10.6 112 153 A I H X S+ 0 0 8 -4,-1.8 4,-1.8 2,-0.2 3,-0.4 0.950 115.1 42.9 -59.3 -56.3 0.5 -26.5 -12.9 113 154 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.869 108.1 59.9 -70.0 -32.3 3.8 -25.0 -11.9 114 155 A R H X S+ 0 0 92 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.885 106.1 48.9 -59.3 -39.0 5.7 -28.4 -11.9 115 156 A Q H X S+ 0 0 23 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.956 112.3 47.9 -64.1 -48.4 4.7 -28.7 -15.6 116 157 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.929 113.4 46.4 -58.7 -51.7 6.0 -25.2 -16.5 117 158 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.857 110.3 55.2 -57.8 -36.6 9.3 -25.7 -14.6 118 159 A S H X S+ 0 0 18 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.887 111.4 43.2 -67.5 -37.5 9.7 -29.1 -16.3 119 160 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.923 115.6 47.9 -71.3 -47.4 9.4 -27.5 -19.7 120 161 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.890 108.7 54.7 -59.7 -42.2 11.6 -24.5 -18.9 121 162 A T H X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.943 109.6 47.9 -58.3 -48.8 14.3 -26.9 -17.4 122 163 A Y H X S+ 0 0 55 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.902 113.1 46.5 -57.9 -47.0 14.4 -28.8 -20.6 123 164 A M H <>S+ 0 0 3 -4,-2.1 5,-2.3 1,-0.2 3,-0.5 0.883 109.6 53.3 -67.8 -36.5 14.7 -25.7 -22.8 124 165 A H H ><5S+ 0 0 30 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.886 102.1 59.2 -67.7 -35.4 17.4 -24.1 -20.6 125 166 A K H 3<5S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.822 108.5 46.5 -56.2 -31.7 19.5 -27.3 -21.0 126 167 A N T 3<5S- 0 0 51 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.168 121.6-113.1 -96.5 15.8 19.3 -26.6 -24.7 127 168 A K T < 5 + 0 0 189 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.730 70.0 138.1 57.7 34.1 20.2 -22.9 -24.1 128 169 A I < - 0 0 4 -5,-2.3 2,-0.3 -8,-0.1 -1,-0.2 -0.914 34.4-162.8-109.2 132.8 16.9 -21.4 -25.2 129 170 A V - 0 0 28 -2,-0.4 26,-0.8 1,-0.2 29,-0.3 -0.835 13.9-161.8-112.7 142.8 15.3 -18.6 -23.2 130 171 A H + 0 0 2 -2,-0.3 2,-0.5 24,-0.2 27,-0.4 0.918 15.4 177.9 -82.7 -59.7 11.7 -17.5 -23.4 131 172 A R S S+ 0 0 34 56,-0.1 46,-0.3 1,-0.1 -1,-0.1 -0.133 71.1 60.6 82.1 -34.1 11.9 -14.0 -21.9 132 173 A D + 0 0 36 -2,-0.5 2,-0.2 21,-0.1 -1,-0.1 -0.192 69.7 158.2-117.6 41.1 8.3 -13.2 -22.4 133 174 A L + 0 0 2 42,-0.1 20,-0.1 56,-0.1 3,-0.0 -0.451 13.0 140.0 -72.5 133.9 6.7 -16.0 -20.3 134 175 A K > - 0 0 10 -2,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.968 66.1 -84.6-163.8 168.1 3.1 -15.2 -19.1 135 176 A P G > S+ 0 0 9 0, 0.0 3,-2.0 0, 0.0 -41,-0.5 0.849 122.4 60.3 -50.8 -40.7 -0.3 -16.8 -18.6 136 177 A E G 3 S+ 0 0 60 1,-0.3 -3,-0.1 35,-0.2 35,-0.0 0.713 99.2 58.7 -59.0 -24.5 -1.3 -16.2 -22.2 137 178 A N G < S+ 0 0 4 -3,-1.9 15,-2.2 1,-0.1 2,-0.7 0.405 88.3 86.6 -87.1 1.1 1.7 -18.4 -23.3 138 179 A L E < + H 0 151C 0 -3,-2.0 -44,-2.5 -4,-0.2 2,-0.3 -0.886 60.1 179.1-105.1 105.8 0.3 -21.4 -21.3 139 180 A L E -GH 93 150C 36 11,-2.4 11,-2.5 -2,-0.7 2,-0.4 -0.721 26.3-127.0-101.3 152.1 -2.1 -23.4 -23.4 140 181 A L E - H 0 149C 9 -48,-2.3 -49,-2.2 -2,-0.3 -48,-0.4 -0.867 16.3-134.1 -97.5 133.9 -3.9 -26.5 -22.3 141 182 A E S S- 0 0 61 7,-2.9 -51,-1.9 -2,-0.4 2,-0.2 0.861 83.4 -6.5 -51.3 -47.0 -3.5 -29.5 -24.7 142 183 A S S S- 0 0 41 -52,-0.2 -51,-0.2 6,-0.2 5,-0.2 -0.872 76.6 -98.2-142.0 172.3 -7.3 -30.3 -24.7 143 184 A K S S+ 0 0 89 -2,-0.2 -52,-0.0 -53,-0.1 -2,-0.0 0.475 83.8 118.5 -76.6 -0.2 -10.5 -29.2 -22.9 144 185 A S S > S- 0 0 60 1,-0.1 3,-1.2 2,-0.1 -2,-0.2 -0.307 74.0-124.7 -64.2 148.8 -10.2 -32.2 -20.5 145 186 A K T 3 S+ 0 0 97 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.0 0.849 111.5 50.4 -60.3 -37.6 -9.8 -31.5 -16.7 146 187 A D T 3 S+ 0 0 138 2,-0.0 -1,-0.2 0, 0.0 -3,-0.1 0.268 84.6 145.9 -86.2 9.5 -6.6 -33.6 -16.6 147 188 A A < - 0 0 13 -3,-1.2 2,-0.1 -5,-0.2 -4,-0.0 -0.147 47.4-122.7 -59.7 137.1 -4.9 -31.8 -19.6 148 189 A N - 0 0 73 -8,-0.1 -7,-2.9 1,-0.1 2,-0.3 -0.363 26.1-116.9 -70.0 154.4 -1.2 -31.2 -19.9 149 190 A I E - H 0 140C 2 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.2 -0.747 23.6-162.1 -93.3 142.4 0.2 -27.6 -20.2 150 191 A R E - H 0 139C 29 -11,-2.5 -11,-2.4 -2,-0.3 2,-0.4 -0.995 11.9-141.7-128.0 121.4 2.1 -26.6 -23.4 151 192 A I E -fH 69 138C 1 -83,-2.7 -81,-2.3 -2,-0.4 2,-0.3 -0.714 20.7-157.4 -83.0 130.6 4.3 -23.4 -23.4 152 193 A I + 0 0 30 -15,-2.2 -81,-0.0 -2,-0.4 -15,-0.0 -0.750 62.6 29.4-107.7 156.3 4.1 -21.5 -26.6 153 194 A D >> + 0 0 21 -2,-0.3 3,-1.4 1,-0.2 4,-0.6 0.557 67.4 168.2 79.3 17.3 6.6 -19.0 -28.2 154 195 A F T 34 S+ 0 0 15 -3,-0.3 -1,-0.2 1,-0.2 -24,-0.2 -0.412 71.3 4.7 -64.9 119.7 9.8 -20.5 -26.7 155 196 A G T >4 S+ 0 0 0 -26,-0.8 3,-0.6 -2,-0.2 4,-0.4 0.200 97.7 103.6 96.8 -14.9 12.7 -18.8 -28.5 156 197 A L G X> S+ 0 0 17 -3,-1.4 4,-1.8 1,-0.2 3,-1.6 0.865 70.8 66.1 -70.8 -33.7 10.9 -16.2 -30.7 157 198 A S G 3< S+ 0 0 2 -4,-0.6 -1,-0.2 -27,-0.4 5,-0.1 0.782 94.6 60.4 -59.3 -29.3 11.8 -13.2 -28.5 158 199 A T G <4 S+ 0 0 54 -3,-0.6 -1,-0.3 -29,-0.3 -2,-0.2 0.761 116.0 30.4 -65.4 -28.1 15.5 -13.7 -29.4 159 200 A H T <4 S+ 0 0 4 -3,-1.6 -111,-2.2 -4,-0.4 -110,-0.7 0.657 116.4 52.9-112.8 -18.9 14.9 -13.2 -33.1 160 201 A F B < S-E 47 0B 1 -4,-1.8 2,-0.4 -113,-0.3 -113,-0.2 -0.951 75.2-125.5-127.3 143.1 12.0 -10.8 -33.4 161 202 A E - 0 0 93 -115,-2.6 -115,-0.2 -2,-0.4 3,-0.1 -0.722 34.0-118.0 -88.8 128.3 11.3 -7.4 -31.8 162 203 A A - 0 0 40 -2,-0.4 -1,-0.1 -5,-0.1 7,-0.1 -0.329 32.9 -95.4 -70.9 145.6 8.1 -7.2 -29.8 163 204 A S - 0 0 49 1,-0.1 -1,-0.1 5,-0.1 -118,-0.1 -0.241 19.8-153.7 -54.8 140.9 5.3 -4.8 -30.8 164 205 A K + 0 0 186 -3,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.333 62.3 113.8 -98.7 5.1 5.2 -1.4 -29.0 165 206 A K S >> S- 0 0 117 1,-0.1 3,-1.9 2,-0.0 4,-0.7 -0.594 70.2-135.0 -74.8 133.3 1.4 -1.2 -29.6 166 207 A M H >> S+ 0 0 33 -2,-0.3 3,-1.2 1,-0.3 4,-1.0 0.883 103.0 64.8 -60.6 -39.9 -0.6 -1.3 -26.3 167 208 A K H 34 S+ 0 0 68 1,-0.3 -1,-0.3 2,-0.2 136,-0.1 0.647 109.1 41.9 -52.0 -20.9 -3.1 -3.8 -27.9 168 209 A D H <4 S+ 0 0 48 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.532 114.3 47.9-105.9 -15.3 -0.2 -6.3 -28.1 169 210 A K H XX S+ 0 0 54 -3,-1.2 3,-1.8 -4,-0.7 4,-0.5 0.324 71.7 135.8-115.9 10.9 1.5 -5.6 -24.7 170 211 A I T 3< S+ 0 0 6 -4,-1.0 253,-0.1 1,-0.3 252,-0.0 -0.338 81.7 9.5 -56.2 128.9 -1.5 -5.8 -22.3 171 212 A G T 34 S+ 0 0 14 251,-0.2 -1,-0.3 -2,-0.1 -35,-0.2 0.782 98.7 108.7 65.7 29.4 -0.5 -7.8 -19.3 172 213 A T T X> + 0 0 46 -3,-1.8 3,-1.1 2,-0.1 4,-0.9 0.764 67.0 62.4 -93.2 -36.6 3.2 -8.0 -20.3 173 214 A A T 3< S+ 0 0 8 -4,-0.5 3,-0.3 1,-0.2 -3,-0.1 0.790 92.5 64.2 -63.8 -30.9 4.5 -5.7 -17.5 174 215 A Y T 34 S+ 0 0 9 1,-0.2 -1,-0.2 33,-0.0 34,-0.2 0.785 111.0 34.2 -63.4 -29.2 3.4 -7.9 -14.6 175 216 A Y T <4 S+ 0 0 10 -3,-1.1 -1,-0.2 -4,-0.1 21,-0.2 0.582 83.6 113.1-109.9 -14.5 5.7 -10.8 -15.5 176 217 A I < - 0 0 34 -4,-0.9 -44,-0.1 -3,-0.3 14,-0.1 -0.389 67.6-118.5 -68.8 134.1 8.9 -9.3 -17.0 177 218 A A >> - 0 0 0 -46,-0.3 4,-1.0 -2,-0.1 3,-0.8 -0.454 19.3-122.7 -71.8 144.8 12.1 -9.9 -14.9 178 219 A P H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.843 110.9 58.9 -59.0 -33.3 13.8 -6.6 -13.8 179 220 A E H 3>>S+ 0 0 18 1,-0.2 4,-1.4 70,-0.2 5,-0.6 0.840 98.8 60.2 -64.8 -30.9 17.2 -7.6 -15.5 180 221 A V H <45S+ 0 0 15 -3,-0.8 -1,-0.2 1,-0.2 3,-0.2 0.885 100.7 54.4 -62.6 -39.3 15.3 -7.7 -18.8 181 222 A L H <5S+ 0 0 65 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.856 112.0 43.2 -59.6 -36.4 14.3 -4.0 -18.4 182 223 A H H <5S- 0 0 118 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.607 114.5-112.7 -95.8 -14.4 18.0 -3.0 -18.0 183 224 A G T <5S+ 0 0 52 -4,-1.4 2,-0.8 -3,-0.2 -3,-0.2 0.146 84.6 98.5 115.6 -19.1 19.4 -5.2 -20.8 184 225 A T < + 0 0 128 -5,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.843 50.3 146.9-104.2 98.9 21.6 -7.9 -19.2 185 226 A Y + 0 0 81 -2,-0.8 2,-0.2 -5,-0.1 -5,-0.0 -0.948 21.6 175.8-137.6 158.2 19.6 -11.1 -18.9 186 227 A D > - 0 0 73 -2,-0.3 3,-1.9 -55,-0.0 4,-0.2 -0.634 59.1 -60.8-135.6-166.3 20.1 -14.9 -19.1 187 228 A E T > S+ 0 0 77 1,-0.3 3,-1.7 -2,-0.2 4,-0.5 0.724 117.4 77.0 -62.8 -21.7 17.9 -18.0 -18.6 188 229 A K T >> S+ 0 0 32 1,-0.3 4,-1.5 2,-0.2 3,-0.8 0.726 76.6 76.7 -60.9 -20.8 17.1 -17.0 -14.9 189 230 A C H <> S+ 0 0 0 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.816 88.9 58.6 -58.8 -26.8 14.6 -14.4 -16.2 190 231 A D H <> S+ 0 0 0 -3,-1.7 4,-1.5 -4,-0.2 -1,-0.2 0.811 101.2 53.4 -73.7 -28.5 12.2 -17.4 -16.9 191 232 A V H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.5 -1,-0.2 0.869 107.8 51.4 -68.8 -41.2 12.2 -18.4 -13.2 192 233 A W H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 3,-0.3 0.970 109.3 48.9 -58.7 -53.4 11.2 -14.9 -12.2 193 234 A S H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.865 111.9 50.0 -56.5 -36.8 8.3 -14.9 -14.7 194 235 A T H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.846 107.4 54.8 -69.1 -37.2 7.2 -18.3 -13.3 195 236 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -3,-0.3 -2,-0.2 0.869 106.4 50.4 -61.5 -41.7 7.5 -16.9 -9.8 196 237 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 109.8 51.4 -63.7 -43.2 5.1 -14.1 -10.7 197 238 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.913 109.3 49.6 -59.9 -45.3 2.7 -16.7 -12.1 198 239 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.902 107.4 54.6 -58.8 -44.1 2.8 -18.8 -8.9 199 240 A Y H X S+ 0 0 7 -4,-2.1 4,-1.6 1,-0.2 5,-0.4 0.940 110.5 47.3 -54.5 -46.3 2.1 -15.7 -6.8 200 241 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.883 107.7 55.4 -64.8 -37.1 -1.0 -15.0 -8.9 201 242 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.1 38.1 -65.6 -37.2 -2.2 -18.6 -8.6 202 243 A L H < S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.1 82,-0.2 0.634 135.1 19.4 -89.6 -18.5 -2.2 -18.6 -4.8 203 244 A S H < S- 0 0 0 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.553 87.1-132.7-121.8 -23.7 -3.4 -15.0 -4.2 204 245 A G S < S+ 0 0 2 -4,-2.6 87,-0.2 -5,-0.4 -4,-0.2 0.573 76.9 96.7 74.1 9.3 -5.1 -14.0 -7.5 205 246 A C S S- 0 0 35 -6,-0.4 -1,-0.2 86,-0.0 -2,-0.2 -0.984 79.9-112.0-129.7 140.0 -3.3 -10.6 -7.4 206 247 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.458 19.4-136.9 -65.4 137.9 -0.0 -9.6 -9.2 207 248 A P S S+ 0 0 15 0, 0.0 2,-0.6 0, 0.0 19,-0.2 0.829 98.9 45.6 -66.9 -29.4 2.9 -9.1 -6.8 208 249 A F S S+ 0 0 0 -34,-0.2 2,-0.3 17,-0.1 8,-0.1 -0.968 83.9 161.9-114.9 112.7 3.8 -5.9 -8.8 209 250 A N + 0 0 65 -2,-0.6 2,-0.3 6,-0.1 10,-0.1 -0.841 10.1 145.4-134.8 164.4 0.8 -3.8 -9.5 210 251 A G - 0 0 24 -2,-0.3 6,-0.1 8,-0.0 -2,-0.0 -0.951 54.5 -90.4 173.8 173.7 -0.3 -0.3 -10.6 211 252 A A S S+ 0 0 70 -2,-0.3 2,-0.3 210,-0.0 213,-0.2 0.561 103.4 17.3 -85.2 -12.3 -2.8 1.8 -12.5 212 253 A N S > S- 0 0 51 1,-0.1 4,-1.7 210,-0.1 5,-0.2 -0.938 88.4 -93.6-148.8 168.8 -0.9 1.9 -15.8 213 254 A E H > S+ 0 0 45 208,-0.5 4,-2.0 -2,-0.3 5,-0.2 0.916 121.3 50.8 -50.8 -46.7 2.0 0.0 -17.6 214 255 A Y H > S+ 0 0 151 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 106.7 52.2 -69.8 -36.0 4.7 2.4 -16.3 215 256 A D H > S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.850 109.9 51.2 -61.9 -37.6 3.6 2.3 -12.6 216 257 A I H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.928 109.7 49.0 -63.3 -47.2 3.8 -1.5 -12.8 217 258 A L H X S+ 0 0 33 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.830 106.4 56.1 -64.6 -32.0 7.3 -1.4 -14.3 218 259 A K H X S+ 0 0 101 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.899 110.7 46.2 -65.4 -39.0 8.4 1.1 -11.5 219 260 A K H X S+ 0 0 101 -4,-1.6 4,-1.9 2,-0.2 5,-0.4 0.894 112.4 49.4 -66.8 -45.1 7.3 -1.6 -9.0 220 261 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.915 109.1 52.3 -59.8 -45.3 9.1 -4.4 -10.9 221 262 A E H < S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 109.4 49.2 -63.9 -39.5 12.3 -2.4 -11.1 222 263 A K H < S- 0 0 167 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.856 96.9-149.2 -66.2 -37.0 12.3 -1.8 -7.3 223 264 A G < + 0 0 14 -4,-1.9 2,-0.3 1,-0.2 -3,-0.1 0.426 44.8 136.8 88.4 -1.0 11.7 -5.5 -6.7 224 265 A K + 0 0 94 -5,-0.4 2,-0.3 25,-0.0 -1,-0.2 -0.640 17.1 150.8 -89.7 134.4 9.7 -5.2 -3.5 225 266 A Y - 0 0 51 -2,-0.3 2,-0.3 -17,-0.1 -17,-0.1 -0.887 23.3-145.8-146.5 174.6 6.5 -7.2 -2.8 226 267 A T - 0 0 83 -2,-0.3 3,-0.1 -19,-0.2 -2,-0.0 -0.927 22.0-142.0-142.9 167.3 4.7 -8.6 0.3 227 268 A F + 0 0 32 -2,-0.3 5,-0.1 1,-0.1 13,-0.0 -0.041 69.2 111.2-114.9 26.5 2.5 -11.5 1.6 228 269 A E + 0 0 167 4,-0.1 -1,-0.1 3,-0.1 5,-0.0 0.368 40.0 116.8 -87.7 5.7 0.2 -9.3 3.8 229 270 A L S > S- 0 0 59 1,-0.1 3,-1.9 -3,-0.1 4,-0.3 -0.521 77.8-119.8 -67.8 141.4 -2.9 -9.9 1.7 230 271 A P G > S+ 0 0 106 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.867 108.6 63.5 -53.4 -36.7 -5.5 -11.7 3.9 231 272 A Q G 3 S+ 0 0 10 1,-0.3 3,-0.4 2,-0.2 53,-0.1 0.535 85.6 72.8 -72.6 -6.3 -5.6 -14.7 1.6 232 273 A W G X S+ 0 0 2 -3,-1.9 3,-1.4 1,-0.2 -1,-0.3 0.681 80.5 73.4 -76.1 -17.8 -1.9 -15.6 2.2 233 274 A K T < S+ 0 0 90 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.827 94.8 53.4 -62.7 -31.4 -2.8 -16.9 5.7 234 275 A K T 3 S+ 0 0 114 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.505 95.3 91.7 -76.5 -8.4 -4.4 -19.9 4.0 235 276 A V S < S- 0 0 8 -3,-1.4 5,-0.1 1,-0.1 -3,-0.0 -0.782 82.5-106.5-102.7 135.4 -1.2 -20.7 2.0 236 277 A S > - 0 0 20 -2,-0.4 4,-1.4 1,-0.1 3,-0.3 -0.088 18.9-128.9 -53.8 145.3 1.7 -23.0 3.1 237 278 A E H > S+ 0 0 113 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.814 109.0 63.7 -59.3 -34.6 5.0 -21.5 4.3 238 279 A S H > S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.864 100.9 48.9 -57.8 -42.3 6.7 -23.9 1.8 239 280 A A H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.941 109.5 51.7 -67.8 -47.5 5.0 -22.2 -1.1 240 281 A K H X S+ 0 0 30 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.778 108.3 54.3 -54.8 -31.7 6.0 -18.7 0.1 241 282 A D H X S+ 0 0 39 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.904 107.1 47.5 -75.3 -43.0 9.6 -20.0 0.4 242 283 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 3,-0.4 0.948 111.1 53.4 -61.7 -45.8 9.7 -21.2 -3.2 243 284 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.936 106.3 51.5 -56.4 -48.9 8.2 -17.8 -4.3 244 285 A R H < S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 111.4 49.0 -55.9 -36.3 11.0 -15.8 -2.4 245 286 A K H >< S+ 0 0 87 -4,-1.6 10,-1.5 -3,-0.4 3,-0.7 0.849 113.7 44.4 -73.5 -36.7 13.6 -17.9 -4.1 246 287 A M H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -51,-0.2 0.845 114.3 50.4 -73.1 -36.1 12.1 -17.4 -7.6 247 288 A L T 3< S+ 0 0 6 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 -0.004 76.9 138.2 -92.4 28.9 11.5 -13.7 -7.0 248 289 A T < - 0 0 42 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.612 51.0-141.2 -75.4 131.0 15.1 -13.1 -5.9 249 290 A Y S S+ 0 0 91 -2,-0.3 -70,-0.2 4,-0.1 -1,-0.1 0.944 83.8 65.0 -62.6 -54.0 16.3 -9.8 -7.5 250 291 A V S >> S- 0 0 77 1,-0.1 3,-1.5 3,-0.0 4,-0.8 -0.588 77.9-145.8 -76.1 117.6 20.0 -10.7 -8.3 251 292 A P G >4 S+ 0 0 30 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.831 95.7 58.3 -60.8 -36.3 19.8 -13.4 -11.0 252 293 A S G 34 S+ 0 0 100 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.751 111.2 45.6 -61.9 -22.5 23.0 -15.3 -9.8 253 294 A M G <4 S+ 0 0 140 -3,-1.5 -1,-0.2 2,-0.1 2,-0.2 0.561 92.5 100.1 -95.7 -12.5 21.2 -15.6 -6.4 254 295 A R S << S- 0 0 4 -4,-0.8 -8,-0.2 -3,-0.8 -9,-0.1 -0.501 83.9-100.6 -75.2 144.1 17.8 -16.7 -7.8 255 296 A I - 0 0 27 -10,-1.5 -1,-0.1 -2,-0.2 2,-0.1 -0.271 37.2-116.3 -59.6 145.9 17.0 -20.4 -7.8 256 297 A S > - 0 0 35 1,-0.1 4,-2.2 -65,-0.0 5,-0.1 -0.396 20.6-115.7 -77.2 160.0 17.4 -22.4 -11.1 257 298 A A H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -136,-0.1 0.940 117.9 51.9 -56.3 -48.9 14.4 -24.0 -12.8 258 299 A R H > S+ 0 0 116 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.913 111.4 45.1 -59.7 -46.6 16.0 -27.4 -12.2 259 300 A D H >4 S+ 0 0 90 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.856 105.5 61.5 -64.2 -36.7 16.4 -26.7 -8.4 260 301 A A H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 6,-0.3 0.903 98.5 58.5 -58.4 -38.1 12.9 -25.3 -8.2 261 302 A L H 3< S+ 0 0 33 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.818 106.4 48.1 -56.3 -36.8 11.6 -28.8 -9.4 262 303 A D T << S+ 0 0 80 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.448 83.8 125.4 -82.6 -3.6 13.3 -30.3 -6.3 263 304 A H S X> S- 0 0 14 -3,-1.6 4,-2.3 -4,-0.4 3,-1.1 -0.318 73.1-117.0 -64.4 139.5 11.9 -27.8 -3.8 264 305 A E H 3> S+ 0 0 111 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.817 113.2 57.5 -39.7 -46.7 9.9 -29.3 -0.8 265 306 A W H 3> S+ 0 0 0 -27,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.866 110.1 42.5 -57.6 -43.0 6.7 -27.5 -2.0 266 307 A I H <> S+ 0 0 2 -3,-1.1 4,-0.8 -6,-0.3 -1,-0.2 0.891 116.1 49.1 -71.4 -39.5 6.7 -29.2 -5.4 267 308 A Q H < S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.901 117.1 42.2 -66.9 -39.0 7.8 -32.6 -3.8 268 309 A T H < S+ 0 0 46 -4,-3.1 3,-0.5 -5,-0.2 -2,-0.2 0.875 117.2 40.5 -73.3 -47.2 4.9 -32.3 -1.2 269 310 A Y H < S+ 0 0 28 -4,-2.0 -158,-0.2 1,-0.2 -159,-0.2 0.390 107.6 60.6 -93.7 1.3 1.9 -31.1 -3.2 270 311 A T S < S+ 0 0 34 -4,-0.8 2,-0.8 -3,-0.1 -1,-0.2 0.386 70.3 108.9-107.9 -1.0 2.4 -33.1 -6.4 271 312 A K S S- 0 0 114 -3,-0.5 -4,-0.0 -4,-0.2 -164,-0.0 -0.724 71.3-140.8 -72.2 111.2 2.1 -36.5 -4.6 272 313 A E S S+ 0 0 148 -2,-0.8 -1,-0.1 1,-0.2 -165,-0.0 0.690 87.7 36.7 -53.1 -30.4 -1.3 -37.5 -6.1 273 314 A Q S S+ 0 0 159 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.955 88.0 88.7 -91.3 -58.1 -2.7 -39.1 -2.9 274 315 A I + 0 0 101 1,-0.1 2,-0.5 2,-0.0 3,-0.2 -0.235 38.3 172.9 -59.3 106.0 -1.5 -37.2 0.3 275 316 A S + 0 0 87 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 -0.623 10.5 164.0-103.1 68.1 -4.0 -34.3 1.2 276 317 A V S S- 0 0 110 -2,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.797 81.3 -15.6 -59.3 -35.0 -2.2 -33.5 4.6 277 318 A D S S+ 0 0 122 -3,-0.2 -1,-0.3 2,-0.1 -3,-0.0 -0.581 79.7 164.6-167.2 110.0 -4.1 -30.2 4.7 278 319 A V + 0 0 44 -3,-0.4 2,-0.1 -2,-0.2 -173,-0.0 -0.685 5.9 173.5-138.3 78.6 -5.7 -29.0 1.4 279 320 A P - 0 0 55 0, 0.0 -173,-0.5 0, 0.0 2,-0.4 -0.401 38.1-105.1 -77.9 164.2 -8.3 -26.2 1.6 280 321 A S - 0 0 44 -175,-0.1 2,-1.5 -2,-0.1 -175,-0.2 -0.778 24.2-133.9 -89.8 133.6 -9.9 -24.5 -1.4 281 322 A L > + 0 0 8 -177,-2.7 4,-1.8 -2,-0.4 -1,-0.0 -0.548 36.8 166.2 -91.9 72.0 -8.5 -21.0 -2.1 282 323 A D H > S+ 0 0 104 -2,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.821 71.4 48.9 -62.0 -44.5 -11.9 -19.3 -2.7 283 324 A N H > S+ 0 0 62 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 110.5 53.0 -59.3 -47.1 -10.7 -15.6 -2.5 284 325 A A H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.897 106.9 50.5 -55.5 -47.1 -7.8 -16.3 -4.9 285 326 A I H X S+ 0 0 7 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.871 112.9 46.6 -66.0 -34.6 -10.1 -17.9 -7.6 286 327 A L H X S+ 0 0 96 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.844 110.6 51.4 -78.0 -36.2 -12.4 -14.9 -7.4 287 328 A N H X S+ 0 0 30 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.910 110.9 50.0 -58.8 -45.0 -9.5 -12.4 -7.6 288 329 A I H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.907 108.5 51.6 -62.4 -43.1 -8.2 -14.2 -10.7 289 330 A R H X S+ 0 0 101 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.869 113.7 45.1 -60.5 -35.9 -11.7 -14.0 -12.3 290 331 A Q H X S+ 0 0 132 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.920 114.4 48.3 -72.7 -43.7 -11.7 -10.2 -11.6 291 332 A F H X S+ 0 0 23 -4,-3.1 4,-2.3 -87,-0.2 -2,-0.2 0.961 114.1 45.9 -56.8 -51.9 -8.1 -9.9 -12.9 292 333 A Q H X S+ 0 0 16 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.877 111.4 50.8 -62.9 -44.7 -8.9 -11.9 -16.0 293 334 A G H X S+ 0 0 14 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.894 110.8 50.3 -62.4 -41.9 -12.2 -10.1 -16.8 294 335 A T H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.950 112.5 45.2 -59.3 -52.1 -10.4 -6.7 -16.5 295 336 A Q H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.882 113.5 50.4 -61.4 -40.5 -7.5 -7.7 -18.8 296 337 A K H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.883 111.0 48.4 -68.1 -37.6 -9.9 -9.2 -21.4 297 338 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.926 112.2 47.9 -71.0 -41.7 -12.2 -6.1 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A D > - 0 0 83 -2,-0.5 4,-2.0 1,-0.1 -1,-0.0 -0.035 22.7-127.9 -53.8 144.1 -5.0 9.2 -20.3 427 473 A S H > S+ 0 0 58 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.914 106.3 48.0 -66.1 -48.2 -7.3 10.1 -17.5 428 474 A E H > S+ 0 0 139 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.814 110.2 57.0 -58.5 -34.7 -8.3 13.6 -18.5 429 475 A T H > S+ 0 0 63 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.955 105.7 45.0 -69.8 -49.8 -8.9 12.3 -22.0 430 476 A W H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.853 112.7 51.0 -69.3 -29.0 -11.5 9.6 -21.2 431 477 A K H X S+ 0 0 97 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.866 106.0 54.4 -73.8 -37.7 -13.6 11.9 -18.9 432 478 A N H X S+ 0 0 119 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.926 110.2 49.9 -56.5 -40.8 -13.8 14.7 -21.4 433 479 A V H X S+ 0 0 18 -4,-1.6 4,-1.4 1,-0.2 3,-0.4 0.928 110.0 47.6 -66.7 -48.8 -15.2 12.1 -23.7 434 480 A L H >X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 3,-0.6 0.924 105.7 59.4 -53.4 -49.9 -17.8 10.8 -21.2 435 481 A A H 3< S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.850 108.8 45.9 -51.8 -36.0 -18.9 14.3 -20.4 436 482 A E H 3< S+ 0 0 142 -4,-1.3 3,-0.3 -3,-0.4 -1,-0.3 0.778 111.2 50.2 -81.1 -28.6 -19.8 14.7 -24.1 437 483 A V H << S+ 0 0 28 -4,-1.4 2,-0.4 -3,-0.6 -2,-0.2 0.942 131.7 10.1 -70.5 -53.1 -21.7 11.3 -24.5 438 484 A D >< - 0 0 49 -4,-2.4 3,-1.5 -5,-0.1 -1,-0.3 -0.862 63.1-170.8-133.6 96.6 -23.9 11.8 -21.5 439 485 A K T 3 S+ 0 0 191 -2,-0.4 -1,-0.1 -3,-0.3 -4,-0.1 0.657 89.3 45.6 -61.3 -15.9 -23.8 15.4 -20.0 440 486 A N T 3 S+ 0 0 140 2,-0.0 -1,-0.2 0, 0.0 -5,-0.1 0.266 79.2 144.4-111.1 12.4 -25.9 14.1 -17.0 441 487 A N < - 0 0 46 -3,-1.5 2,-0.2 -7,-0.2 4,-0.1 -0.060 42.3-146.4 -66.4 158.2 -24.2 10.8 -16.0 442 488 A D - 0 0 123 2,-0.4 -1,-0.1 0, 0.0 -29,-0.1 -0.514 62.9 -71.1-123.6 55.7 -24.0 9.6 -12.4 443 489 A G S S+ 0 0 29 -2,-0.2 -30,-2.1 -31,-0.1 -29,-0.3 0.701 109.6 77.9 66.6 25.3 -20.6 7.8 -12.3 444 490 A E E -J 412 0E 75 -32,-0.3 -2,-0.4 -31,-0.1 2,-0.3 -0.967 56.3-156.0-159.3 149.1 -21.6 4.7 -14.3 445 491 A V E -J 411 0E 0 -34,-2.2 -34,-2.1 -2,-0.3 2,-0.1 -0.956 11.2-137.7-127.0 144.6 -22.1 3.8 -18.0 446 492 A D E > -J 410 0E 53 -2,-0.3 4,-2.3 -36,-0.2 5,-0.2 -0.281 44.7 -88.7 -84.1-178.7 -24.1 1.0 -19.8 447 493 A F H > S+ 0 0 11 -38,-0.5 4,-2.5 1,-0.2 5,-0.2 0.915 126.8 50.8 -62.5 -42.4 -22.8 -0.9 -22.8 448 494 A D H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 111.1 47.3 -63.5 -44.3 -24.0 1.6 -25.4 449 495 A E H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 112.6 50.2 -58.2 -46.2 -22.5 4.6 -23.5 450 496 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.949 111.0 49.3 -56.5 -51.7 -19.1 2.7 -23.2 451 497 A Q H X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.919 109.5 50.8 -54.0 -48.1 -19.2 1.9 -26.9 452 498 A Q H X S+ 0 0 71 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.885 108.2 54.4 -60.0 -39.3 -19.9 5.5 -27.8 453 499 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.929 106.7 50.7 -58.0 -46.2 -16.9 6.5 -25.5 454 500 A L H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.885 108.0 52.2 -62.0 -38.7 -14.6 4.1 -27.4 455 501 A L H ><>S+ 0 0 37 -4,-1.9 5,-2.3 1,-0.2 3,-1.3 0.925 109.7 48.8 -63.2 -45.2 -15.7 5.6 -30.8 456 502 A K H ><5S+ 0 0 66 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.833 105.7 58.9 -63.9 -30.8 -14.9 9.1 -29.5 457 503 A L T 3<5S+ 0 0 38 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.534 105.9 48.7 -76.3 -7.8 -11.5 7.9 -28.3 458 504 A C T < 5S- 0 0 14 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 -0.108 130.0 -91.4-120.8 34.1 -10.6 6.8 -31.9 459 505 A G T < 5 0 0 66 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.667 360.0 360.0 74.5 22.4 -11.6 10.1 -33.5 460 506 A N < 0 0 88 -5,-2.3 -4,-0.2 -6,-0.1 -3,-0.1 -0.300 360.0 360.0-122.6 360.0 -15.3 9.3 -34.3