==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-JUL-10 3NYV . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR E.T.LARSON,E.A.MERRITT,MEDICAL STRUCTURAL GENOMICS OF PATHOG . 457 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 72.2 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 . 50 10.9 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 . 20 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 3 2 2 0 0 0 4 2 1 0 0 1 1 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 . 3 0 3 0 1 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 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 H 0 0 249 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.1 -1.2 8.6 89.3 2 43 A S - 0 0 107 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.754 360.0-112.5-109.9 139.0 1.8 10.7 88.2 3 44 A T - 0 0 113 -2,-0.3 -1,-0.1 1,-0.1 2,-0.0 -0.416 39.9-110.0 -67.7 128.9 2.6 12.5 84.9 4 45 A A - 0 0 65 -2,-0.2 2,-0.5 1,-0.1 74,-0.3 -0.338 29.4-145.4 -63.6 136.8 5.6 11.0 83.0 5 46 A I >> - 0 0 75 1,-0.1 3,-1.3 72,-0.1 4,-0.7 -0.919 7.7-140.4-111.1 128.3 8.7 13.1 82.9 6 47 A F H >> S+ 0 0 24 -2,-0.5 4,-2.4 1,-0.3 3,-1.5 0.899 100.7 48.3 -52.3 -51.0 10.9 13.2 79.9 7 48 A S H 34 S+ 0 0 33 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.585 99.7 66.3 -75.2 -12.4 14.3 13.3 81.7 8 49 A D H <4 S+ 0 0 121 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.742 117.0 27.9 -70.4 -25.7 13.3 10.4 84.1 9 50 A R H << S+ 0 0 101 -3,-1.5 21,-3.2 -4,-0.7 2,-0.4 0.757 121.0 45.8-105.1 -36.3 13.3 8.2 81.0 10 51 A Y E < -A 29 0A 11 -4,-2.4 2,-0.4 19,-0.3 19,-0.2 -0.910 55.0-159.9-121.2 140.9 15.8 9.7 78.5 11 52 A K E -A 28 0A 97 17,-2.3 17,-2.4 -2,-0.4 2,-0.3 -0.922 30.7-115.1-109.9 140.8 19.4 11.2 78.8 12 53 A G E +A 27 0A 54 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.624 29.8 178.5 -74.8 132.1 20.7 13.5 76.1 13 54 A Q E - 0 0 76 13,-4.0 2,-0.3 1,-0.4 14,-0.2 0.831 60.9 -40.4 -97.6 -51.9 23.7 12.2 74.0 14 55 A R E -A 26 0A 150 12,-1.4 12,-3.5 0, 0.0 2,-0.4 -0.969 62.5 -83.7-170.8 163.3 24.3 15.1 71.6 15 56 A V E -A 25 0A 58 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.688 29.2-172.3 -80.8 129.1 22.6 17.7 69.4 16 57 A L E - 0 0 62 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.833 52.6 -85.8 -85.1 -39.5 21.6 16.3 66.0 17 58 A G E -A 24 0A 28 7,-1.6 7,-3.0 2,-0.0 2,-0.4 -0.955 45.2 -58.1 157.4-174.8 20.5 19.7 64.5 18 59 A K E +A 23 0A 76 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.824 50.2 164.4-100.9 133.9 17.9 22.3 64.1 19 60 A G E > -A 22 0A 25 3,-2.1 3,-1.3 -2,-0.4 119,-0.0 -0.787 49.6 -48.9-132.9-175.6 14.6 21.5 62.4 20 61 A S T 3 S+ 0 0 29 -2,-0.2 -1,-0.1 1,-0.2 150,-0.0 -0.342 123.6 2.7 -55.6 134.5 11.2 23.0 62.1 21 62 A F T 3 S- 0 0 30 148,-0.1 21,-0.4 24,-0.1 2,-0.3 0.234 128.9 -13.7 73.0 -9.9 9.8 24.2 65.5 22 63 A G E < S-A 19 0A 18 -3,-1.3 -3,-2.1 19,-0.2 19,-0.2 -0.953 79.4 -56.9 170.0 178.7 12.9 23.2 67.5 23 64 A E E -AB 18 40A 65 17,-0.8 17,-3.1 -2,-0.3 2,-0.5 -0.453 41.2-139.1 -76.8 150.0 16.2 21.6 68.2 24 65 A V E -AB 17 39A 26 -7,-3.0 -8,-2.7 15,-0.2 -7,-1.6 -0.963 18.2-167.0-116.7 127.8 16.6 17.8 67.8 25 66 A I E -AB 15 38A 5 13,-2.8 13,-2.9 -2,-0.5 2,-0.6 -0.901 22.8-126.5-117.5 134.5 18.7 16.0 70.4 26 67 A L E +AB 14 37A 12 -12,-3.5 -13,-4.0 -2,-0.4 -12,-1.4 -0.762 42.8 178.7 -77.8 116.8 20.0 12.4 70.2 27 68 A C E -AB 12 36A 2 9,-2.7 9,-2.6 -2,-0.6 2,-0.4 -0.792 21.0-145.3-120.5 166.3 18.8 10.8 73.4 28 69 A K E -AB 11 35A 66 -17,-2.4 -17,-2.3 -2,-0.3 2,-0.3 -0.996 24.4-113.9-135.1 132.3 19.0 7.4 75.0 29 70 A D E > -A 10 0A 13 5,-2.6 4,-1.9 -2,-0.4 -19,-0.3 -0.495 25.2-139.8 -61.3 125.3 16.5 5.4 77.2 30 71 A K T 4 S+ 0 0 104 -21,-3.2 -1,-0.1 -2,-0.3 -20,-0.1 0.585 96.4 32.2 -68.7 -13.3 18.1 5.2 80.6 31 72 A I T 4 S+ 0 0 158 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.802 129.4 27.9-103.9 -52.9 16.9 1.6 81.1 32 73 A T T 4 S- 0 0 100 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.560 91.4-129.5 -91.6 -13.7 16.8 -0.1 77.6 33 74 A G < + 0 0 29 -4,-1.9 -3,-0.1 1,-0.2 2,-0.1 0.442 48.8 159.7 74.7 4.7 19.5 1.9 75.9 34 75 A Q - 0 0 110 -6,-0.1 -5,-2.6 1,-0.1 2,-0.3 -0.345 33.4-139.5 -60.7 128.1 17.2 2.7 72.9 35 76 A E E +B 28 0A 79 -7,-0.2 54,-0.4 -3,-0.1 2,-0.3 -0.741 28.1 171.7 -89.8 141.4 18.5 5.7 71.0 36 77 A C E -B 27 0A 1 -9,-2.6 -9,-2.7 -2,-0.3 2,-0.5 -0.953 35.7-119.2-143.6 161.1 16.0 8.2 69.7 37 78 A A E -BC 26 87A 17 50,-2.5 50,-2.9 -2,-0.3 2,-0.6 -0.923 31.6-162.6-102.6 121.3 15.8 11.6 68.0 38 79 A V E -BC 25 86A 0 -13,-2.9 -13,-2.8 -2,-0.5 2,-0.5 -0.933 8.7-153.1-115.2 114.8 13.9 14.1 70.3 39 80 A K E -BC 24 85A 11 46,-2.4 46,-2.7 -2,-0.6 2,-0.6 -0.765 13.7-155.2 -84.4 123.4 12.5 17.3 68.8 40 81 A V E -BC 23 84A 10 -17,-3.1 -17,-0.8 -2,-0.5 2,-0.6 -0.922 7.9-166.4-107.9 111.1 12.3 19.8 71.7 41 82 A I E - C 0 83A 0 42,-2.5 42,-2.5 -2,-0.6 2,-0.5 -0.912 12.0-142.2-103.5 118.8 9.7 22.5 71.0 42 83 A S E >> - C 0 82A 26 -2,-0.6 4,-2.0 -21,-0.4 3,-1.1 -0.686 3.3-149.7 -82.5 123.0 9.8 25.6 73.3 43 84 A K T 34 S+ 0 0 55 38,-2.9 39,-0.1 -2,-0.5 -1,-0.1 0.647 97.6 59.3 -65.7 -16.6 6.5 27.0 74.3 44 85 A R T 34 S+ 0 0 160 37,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.775 115.0 33.3 -79.4 -28.3 8.0 30.5 74.4 45 86 A Q T <4 S+ 0 0 115 -3,-1.1 2,-0.4 1,-0.2 -2,-0.2 0.666 120.3 48.9 -97.5 -23.5 9.1 30.4 70.8 46 87 A V < - 0 0 13 -4,-2.0 2,-0.3 118,-0.1 -1,-0.2 -0.974 68.9-152.1-132.5 120.9 6.3 28.4 69.2 47 88 A K - 0 0 107 -2,-0.4 115,-2.9 115,-0.2 2,-0.3 -0.662 20.7-118.8 -93.7 146.7 2.6 28.9 69.7 48 89 A Q B -E 161 0B 71 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.614 15.3-165.2 -82.1 141.4 -0.0 26.2 69.5 49 90 A K S S+ 0 0 83 111,-3.1 2,-0.2 -2,-0.3 112,-0.2 0.696 74.3 40.9 -94.6 -26.1 -2.7 26.4 66.9 50 91 A T S S- 0 0 37 110,-0.8 2,-0.1 1,-0.1 -2,-0.0 -0.636 91.0 -94.2-116.6 173.1 -5.0 23.7 68.4 51 92 A D > - 0 0 92 -2,-0.2 4,-2.0 1,-0.1 3,-0.4 -0.385 41.1 -99.0 -83.3 167.0 -6.1 22.8 71.9 52 93 A K H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 121.6 54.6 -43.1 -53.4 -4.5 20.2 74.2 53 94 A E H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.842 107.5 49.5 -56.9 -40.9 -7.2 17.6 73.3 54 95 A S H > S+ 0 0 45 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.900 112.8 46.4 -67.5 -43.0 -6.6 17.9 69.5 55 96 A L H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.936 110.6 53.0 -64.3 -47.1 -2.8 17.6 69.9 56 97 A L H X S+ 0 0 82 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.908 110.7 46.9 -58.3 -41.4 -3.1 14.6 72.2 57 98 A R H X S+ 0 0 202 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.852 110.9 51.1 -69.3 -39.0 -5.3 12.8 69.8 58 99 A E H X S+ 0 0 36 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.921 110.8 49.3 -60.0 -47.4 -3.1 13.5 66.8 59 100 A V H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.921 108.8 52.6 -58.5 -45.6 -0.1 12.2 68.8 60 101 A Q H < S+ 0 0 104 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.854 113.0 44.7 -60.0 -37.3 -2.0 9.0 69.7 61 102 A L H >X S+ 0 0 53 -4,-1.7 3,-2.0 2,-0.2 4,-0.8 0.960 110.8 53.1 -68.2 -53.6 -2.8 8.5 66.0 62 103 A L H >< S+ 0 0 26 -4,-3.3 3,-0.9 1,-0.3 11,-0.5 0.839 103.2 58.4 -52.1 -39.8 0.8 9.2 64.8 63 104 A K T 3< S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.746 107.3 47.8 -61.6 -25.7 2.1 6.6 67.3 64 105 A Q T <4 S+ 0 0 135 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.501 92.1 95.1 -93.9 -11.5 0.0 3.9 65.6 65 106 A L << - 0 0 14 -3,-0.9 2,-0.3 -4,-0.8 8,-0.2 -0.498 50.2-177.7 -82.8 155.4 0.9 4.7 62.0 66 107 A D + 0 0 117 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.883 15.1 145.4-160.1 118.2 3.7 2.8 60.3 67 108 A H > - 0 0 27 3,-0.4 3,-1.9 -2,-0.3 53,-0.0 -0.953 49.7-121.3-156.1 141.9 5.1 3.2 56.8 68 109 A P T 3 S+ 0 0 61 0, 0.0 4,-0.1 0, 0.0 81,-0.1 0.687 112.1 47.3 -63.5 -17.0 8.7 2.8 55.5 69 110 A N T 3 S+ 0 0 11 82,-0.1 83,-2.5 47,-0.1 2,-0.4 0.221 99.9 80.1-108.0 15.4 8.9 6.4 54.2 70 111 A I B < S-f 152 0C 14 -3,-1.9 -3,-0.4 81,-0.3 83,-0.2 -0.973 85.3-108.2-122.7 136.0 7.5 8.1 57.3 71 112 A X - 0 0 54 81,-2.6 2,-0.5 -2,-0.4 -2,-0.1 -0.260 35.7-123.0 -55.2 133.3 9.3 9.0 60.5 72 113 A K - 0 0 41 -4,-0.1 16,-2.0 16,-0.1 2,-0.5 -0.736 18.7-154.9 -82.7 131.8 8.3 6.8 63.4 73 114 A L E +D 87 0A 17 -2,-0.5 14,-0.3 -11,-0.5 3,-0.1 -0.925 18.2 171.0-102.7 123.5 7.0 8.6 66.5 74 115 A Y E - 0 0 74 12,-2.9 2,-0.3 -2,-0.5 13,-0.2 0.819 58.4 -1.6 -97.2 -43.2 7.4 6.6 69.8 75 116 A E E -D 86 0A 52 11,-1.8 11,-2.7 2,-0.0 2,-0.4 -0.974 50.6-153.2-151.7 161.6 6.5 9.0 72.6 76 117 A F E +D 85 0A 30 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 13.4 179.8-145.5 136.3 5.4 12.5 73.5 77 118 A F E -D 84 0A 18 7,-2.1 7,-3.0 -2,-0.4 2,-0.4 -0.952 6.1-167.6-132.9 156.4 5.9 14.5 76.6 78 119 A E E +D 83 0A 46 -2,-0.3 2,-0.2 -74,-0.3 5,-0.2 -0.998 11.0 166.1-141.7 138.7 4.9 18.0 77.7 79 120 A D - 0 0 63 3,-2.5 -74,-0.0 -2,-0.4 -2,-0.0 -0.717 56.9 -70.9-134.2-164.5 6.0 20.1 80.6 80 121 A K S S+ 0 0 201 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.841 127.9 20.6 -61.2 -36.5 5.8 23.7 81.7 81 122 A G S S+ 0 0 12 1,-0.1 -38,-2.9 -38,-0.1 -37,-0.5 0.648 120.8 30.7-105.8 -20.2 8.2 25.0 79.0 82 123 A Y E -C 42 0A 42 -40,-0.2 -3,-2.5 -39,-0.1 2,-0.4 -0.921 52.2-137.1-141.9 157.3 8.5 22.4 76.2 83 124 A F E -CD 41 78A 0 -42,-2.5 -42,-2.5 -2,-0.3 2,-0.5 -0.927 24.1-153.5-105.3 149.2 7.0 19.7 74.1 84 125 A Y E -CD 40 77A 12 -7,-3.0 -7,-2.1 -2,-0.4 2,-0.7 -0.965 7.0-167.6-127.4 118.8 9.1 16.6 73.5 85 126 A L E -CD 39 76A 18 -46,-2.7 -46,-2.4 -2,-0.5 2,-0.7 -0.905 11.1-159.9-105.9 109.1 8.6 14.6 70.3 86 127 A V E +CD 38 75A 0 -11,-2.7 -12,-2.9 -2,-0.7 -11,-1.8 -0.831 24.2 157.2 -99.2 114.2 10.5 11.3 70.6 87 128 A G E -CD 37 73A 2 -50,-2.9 -50,-2.5 -2,-0.7 -14,-0.2 -0.660 47.0 -76.4-128.6 175.8 11.1 9.6 67.3 88 129 A E - 0 0 53 -16,-2.0 2,-0.4 -52,-0.2 -52,-0.2 -0.531 51.2-121.2 -70.7 144.0 13.4 7.1 65.6 89 130 A V - 0 0 31 -54,-0.4 2,-0.4 -2,-0.2 -1,-0.1 -0.721 20.3-155.9 -92.7 139.3 16.8 8.5 64.7 90 131 A Y - 0 0 26 -2,-0.4 53,-0.2 1,-0.1 52,-0.2 -0.957 12.0-178.7-116.1 134.0 17.9 8.6 61.0 91 132 A T + 0 0 76 51,-1.8 52,-0.2 -2,-0.4 51,-0.2 0.380 61.0 86.0-117.3 -1.5 21.6 8.7 60.3 92 133 A G S S- 0 0 13 49,-1.9 50,-0.2 1,-0.2 51,-0.1 0.480 86.5-135.1 -82.3 -4.4 21.9 8.8 56.4 93 134 A G - 0 0 36 48,-0.4 48,-2.9 -3,-0.2 -1,-0.2 -0.028 42.9 -26.8 78.9-179.8 21.5 12.6 56.3 94 135 A E B >> -G 140 0C 51 46,-0.2 4,-1.5 1,-0.1 3,-0.5 -0.400 57.9-122.9 -71.3 138.4 19.4 14.9 54.1 95 136 A L H >> S+ 0 0 1 44,-2.8 4,-2.3 41,-0.5 3,-0.7 0.898 109.3 50.9 -40.6 -56.5 18.5 13.6 50.6 96 137 A F H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.857 106.7 55.6 -61.7 -32.7 20.0 16.5 48.7 97 138 A D H <> S+ 0 0 50 -3,-0.5 4,-0.6 2,-0.2 -1,-0.3 0.843 109.0 47.1 -66.3 -32.5 23.3 16.1 50.6 98 139 A E H X< S+ 0 0 62 -4,-1.5 3,-0.5 -3,-0.7 -2,-0.2 0.891 109.7 54.9 -73.3 -40.3 23.5 12.4 49.5 99 140 A I H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.899 105.3 50.1 -58.9 -45.8 22.6 13.4 45.8 100 141 A I H 3< S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.687 99.9 66.6 -72.9 -16.7 25.5 15.9 45.5 101 142 A S T << S+ 0 0 87 -4,-0.6 2,-0.3 -3,-0.5 -1,-0.3 0.419 90.4 83.9 -79.1 -0.1 28.0 13.3 46.8 102 143 A R < - 0 0 76 -3,-1.5 3,-0.1 -4,-0.1 -3,-0.0 -0.754 67.2-151.5-102.1 153.6 27.4 11.2 43.7 103 144 A K S S+ 0 0 199 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.647 86.4 49.5 -90.5 -20.3 29.1 11.6 40.3 104 145 A R + 0 0 133 -5,-0.1 2,-0.3 173,-0.0 -1,-0.1 -0.962 56.2 162.5-125.4 139.8 26.0 10.2 38.5 105 146 A F + 0 0 0 -2,-0.4 173,-3.5 -3,-0.1 2,-0.2 -0.845 12.9 172.7-156.3 115.8 22.3 11.0 38.8 106 147 A S B > -I 277 0D 4 -2,-0.3 4,-2.2 171,-0.2 3,-0.2 -0.616 50.8 -93.5-119.5 175.4 19.6 10.1 36.3 107 148 A E H > S+ 0 0 8 169,-0.5 4,-2.8 1,-0.2 5,-0.2 0.825 124.1 60.5 -58.4 -29.5 15.8 10.2 35.8 108 149 A V H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.952 105.3 46.0 -61.6 -47.3 15.8 6.6 37.2 109 150 A D H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.917 114.3 48.6 -61.1 -42.2 17.3 7.8 40.4 110 151 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.914 110.2 50.9 -65.1 -43.4 14.9 10.8 40.6 111 152 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.903 109.5 50.2 -60.6 -42.0 11.8 8.5 39.9 112 153 A R H X S+ 0 0 103 -4,-2.2 4,-1.3 158,-0.2 -1,-0.2 0.896 113.1 47.1 -65.9 -38.7 12.9 6.1 42.7 113 154 A I H X S+ 0 0 9 -4,-1.9 4,-1.9 -5,-0.2 3,-0.2 0.957 114.4 45.2 -60.9 -55.2 13.2 9.0 45.1 114 155 A I H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.870 107.2 59.1 -61.8 -36.3 9.9 10.6 44.2 115 156 A R H X S+ 0 0 89 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.925 107.8 47.4 -55.4 -45.2 8.1 7.2 44.3 116 157 A Q H X S+ 0 0 38 -4,-1.3 4,-2.2 -3,-0.2 -2,-0.2 0.899 112.7 47.2 -62.4 -46.0 9.2 6.9 48.0 117 158 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.935 114.8 46.8 -63.5 -45.8 8.0 10.4 48.8 118 159 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.870 109.5 54.7 -65.4 -33.2 4.7 9.9 47.1 119 160 A S H X S+ 0 0 36 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.943 111.5 44.0 -65.2 -46.1 4.3 6.5 48.8 120 161 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.929 115.2 48.1 -63.0 -47.8 4.7 8.2 52.2 121 162 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.929 108.7 54.4 -59.0 -46.9 2.4 11.1 51.3 122 163 A T H X S+ 0 0 10 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.917 109.7 48.1 -50.0 -49.3 -0.3 8.7 50.0 123 164 A Y H X S+ 0 0 50 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.909 112.8 47.1 -60.5 -45.4 -0.3 6.8 53.3 124 165 A X H ><>S+ 0 0 2 -4,-2.1 5,-2.3 1,-0.2 3,-0.6 0.896 109.9 52.7 -70.1 -36.4 -0.5 9.9 55.4 125 166 A H H ><5S+ 0 0 28 -4,-2.8 3,-2.2 1,-0.3 -1,-0.2 0.894 102.8 57.6 -66.6 -40.0 -3.3 11.4 53.3 126 167 A K H 3<5S+ 0 0 146 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.776 108.6 49.3 -54.4 -28.7 -5.4 8.2 53.6 127 168 A N T <<5S- 0 0 48 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.199 119.9-113.3 -97.7 13.8 -5.1 8.9 57.3 128 169 A K T < 5S+ 0 0 186 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.782 71.6 136.4 60.2 32.8 -6.2 12.6 56.9 129 170 A I < - 0 0 3 -5,-2.3 2,-0.3 -8,-0.1 -1,-0.2 -0.949 35.0-165.0-111.0 131.0 -2.7 14.0 57.9 130 171 A V - 0 0 28 -2,-0.5 26,-1.1 1,-0.1 29,-0.3 -0.828 13.4-162.9-113.2 143.8 -1.3 16.9 55.9 131 172 A H + 0 0 1 -2,-0.3 2,-0.5 24,-0.2 27,-0.4 0.900 13.3 177.2 -90.1 -54.2 2.4 18.0 56.0 132 173 A R S S+ 0 0 28 56,-0.2 46,-0.3 1,-0.1 -1,-0.1 -0.073 72.1 62.1 76.0 -28.8 2.1 21.5 54.4 133 174 A D + 0 0 32 -2,-0.5 -1,-0.1 21,-0.1 2,-0.1 -0.087 66.4 156.7-119.2 31.6 5.8 22.2 54.9 134 175 A L + 0 0 1 42,-0.1 64,-0.1 3,-0.1 20,-0.1 -0.405 15.1 147.0 -60.7 127.7 7.4 19.4 52.8 135 176 A K > - 0 0 12 -2,-0.1 3,-2.0 1,-0.0 4,-0.1 -0.955 63.0 -92.1-153.4 166.7 10.9 20.5 51.8 136 177 A P G > S+ 0 0 10 0, 0.0 3,-2.1 0, 0.0 -41,-0.5 0.835 120.9 62.3 -53.6 -36.7 14.2 18.8 51.1 137 178 A E G 3 S+ 0 0 67 1,-0.3 -3,-0.1 -43,-0.1 35,-0.0 0.717 98.9 58.5 -64.0 -19.0 15.4 19.2 54.8 138 179 A N G < S+ 0 0 4 -3,-2.0 15,-2.3 -5,-0.1 2,-0.7 0.356 88.6 83.5 -89.4 6.0 12.4 17.0 55.7 139 180 A L E < + H 0 152C 0 -3,-2.1 -44,-2.8 13,-0.2 2,-0.4 -0.909 60.4 175.2-113.5 101.2 13.6 14.1 53.6 140 181 A L E -GH 94 151C 33 11,-2.4 11,-3.4 -2,-0.7 2,-0.4 -0.882 31.9-124.3-108.8 139.1 16.2 12.1 55.6 141 182 A L E - H 0 150C 17 -48,-2.9 -49,-1.9 -2,-0.4 -48,-0.4 -0.665 23.4-129.9 -81.8 134.3 17.8 8.9 54.4 142 183 A E S S- 0 0 60 7,-3.0 -51,-1.8 -2,-0.4 2,-0.3 0.849 78.9 -18.8 -55.8 -40.9 17.2 6.2 57.0 143 184 A S S S- 0 0 35 2,-0.2 5,-0.2 -52,-0.2 -51,-0.1 -0.879 74.9 -90.0-150.3-176.4 20.8 5.2 57.2 144 185 A K S S+ 0 0 177 -2,-0.3 -2,-0.1 3,-0.1 2,-0.0 0.489 81.4 126.0 -79.7 -2.9 24.1 5.5 55.2 145 186 A S S > S- 0 0 79 1,-0.1 3,-2.0 2,-0.1 -2,-0.2 -0.322 72.6-117.0 -64.9 136.8 23.2 2.1 53.4 146 187 A K T 3 S+ 0 0 219 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.798 113.0 33.7 -36.1 -49.8 23.2 2.2 49.6 147 188 A D T 3 S+ 0 0 143 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.253 85.6 150.9-109.2 44.8 19.5 1.4 49.3 148 189 A A < - 0 0 18 -3,-2.0 2,-0.1 -5,-0.2 -4,-0.0 -0.499 45.9-114.3 -77.0 144.6 18.2 3.2 52.4 149 190 A N - 0 0 61 -2,-0.2 -7,-3.0 -8,-0.1 2,-0.4 -0.376 23.5-114.5 -76.1 154.2 14.7 4.4 52.4 150 191 A I E - H 0 141C 1 -9,-0.2 2,-0.5 -8,-0.1 -9,-0.2 -0.769 28.6-155.0 -83.0 135.1 13.8 8.1 52.5 151 192 A R E - H 0 140C 24 -11,-3.4 -11,-2.4 -2,-0.4 2,-0.5 -0.969 6.4-143.4-114.2 122.3 12.0 9.1 55.7 152 193 A I E -fH 70 139C 1 -83,-2.5 -81,-2.6 -2,-0.5 2,-0.3 -0.762 21.5-158.4 -84.7 125.8 9.7 12.1 55.7 153 194 A I + 0 0 24 -15,-2.3 -81,-0.0 -2,-0.5 -15,-0.0 -0.733 60.3 27.9-104.2 152.3 9.9 14.0 59.0 154 195 A D >> + 0 0 9 -2,-0.3 3,-1.6 1,-0.2 4,-0.5 0.534 66.7 166.8 81.6 15.3 7.4 16.4 60.6 155 196 A F T 34 S+ 0 0 9 -3,-0.3 -1,-0.2 1,-0.2 -24,-0.2 -0.373 71.5 9.7 -58.4 130.0 4.1 15.1 59.1 156 197 A G T >> S+ 0 0 1 -26,-1.1 3,-0.6 1,-0.1 4,-0.5 0.240 96.4 106.3 89.8 -14.3 1.2 16.7 61.0 157 198 A L H X> S+ 0 0 14 -3,-1.6 4,-2.2 1,-0.2 3,-1.4 0.879 71.9 59.7 -64.6 -40.4 3.2 19.2 63.0 158 199 A S H 3< S+ 0 0 1 -4,-0.5 -1,-0.2 -27,-0.4 5,-0.2 0.699 96.0 63.1 -64.7 -20.1 2.1 22.3 61.1 159 200 A T H <4 S+ 0 0 51 -3,-0.6 -1,-0.3 -29,-0.3 -2,-0.2 0.810 116.8 29.0 -69.5 -26.8 -1.6 21.5 61.9 160 201 A H H << S+ 0 0 4 -3,-1.4 -111,-3.1 -4,-0.5 -110,-0.8 0.702 116.2 53.8-110.1 -21.7 -0.7 22.1 65.6 161 202 A F B < S-E 48 0B 0 -4,-2.2 2,-0.3 -113,-0.3 -113,-0.2 -0.938 76.9-119.7-125.2 139.0 2.2 24.5 65.8 162 203 A E - 0 0 91 -115,-2.9 -115,-0.2 -2,-0.4 -3,-0.1 -0.593 33.2-115.0 -76.4 129.6 2.6 28.0 64.3 163 204 A A - 0 0 49 -2,-0.3 -116,-0.1 -5,-0.2 -1,-0.1 -0.269 35.8-104.5 -59.8 143.8 5.5 28.5 61.8 164 205 A S - 0 0 34 5,-0.1 -1,-0.1 1,-0.1 -118,-0.1 -0.366 15.7-151.9 -69.0 152.8 8.2 30.9 63.0 165 206 A K + 0 0 169 -2,-0.0 2,-0.3 4,-0.0 -1,-0.1 0.387 65.0 107.8-101.4 -1.9 8.4 34.4 61.5 166 207 A K S >> S- 0 0 85 1,-0.1 3,-1.9 2,-0.0 4,-1.0 -0.615 70.7-136.3 -83.1 135.0 12.1 34.6 62.0 167 208 A X H >> S+ 0 0 35 -2,-0.3 4,-1.1 1,-0.3 3,-0.7 0.861 103.4 63.6 -61.3 -35.1 14.3 34.3 58.8 168 209 A K H 34 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.2 132,-0.1 0.720 111.2 40.3 -62.2 -19.8 16.8 32.0 60.5 169 210 A D H <4 S+ 0 0 57 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.582 113.5 54.1 -95.8 -18.8 13.8 29.5 60.8 170 211 A K H XX + 0 0 49 -4,-1.0 3,-2.2 -3,-0.7 4,-0.5 0.454 69.4 132.5 -99.7 -1.3 12.3 30.3 57.3 171 212 A I T 3< S+ 0 0 5 -4,-1.1 251,-0.1 1,-0.3 250,-0.0 -0.264 82.7 6.8 -53.6 131.3 15.4 29.6 55.1 172 213 A G T >4 S+ 0 0 12 249,-0.2 3,-0.6 1,-0.1 4,-0.4 0.107 101.2 105.6 87.9 -20.6 14.3 27.4 52.2 173 214 A T G X> + 0 0 41 -3,-2.2 3,-1.1 1,-0.2 4,-0.9 0.850 66.1 61.0 -72.3 -36.1 10.6 27.5 53.0 174 215 A A G 3< S+ 0 0 5 -4,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.785 94.3 63.8 -62.7 -32.8 9.2 29.9 50.3 175 216 A Y G <4 S+ 0 0 9 -3,-0.6 -1,-0.2 1,-0.2 34,-0.2 0.827 111.4 34.8 -59.9 -30.9 10.3 27.7 47.3 176 217 A Y T <4 S+ 0 0 8 -3,-1.1 -1,-0.2 -4,-0.4 21,-0.2 0.541 84.5 112.5-107.1 -17.1 8.1 24.8 48.2 177 218 A I < - 0 0 33 -4,-0.9 -44,-0.1 -3,-0.3 14,-0.1 -0.427 67.8-119.0 -72.0 135.9 4.9 26.2 49.8 178 219 A A >> - 0 0 0 -46,-0.3 4,-1.2 -2,-0.2 3,-1.0 -0.433 18.6-122.8 -74.4 145.2 1.7 25.8 47.7 179 220 A P H 3> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.868 110.9 57.8 -59.0 -34.4 -0.0 28.9 46.6 180 221 A E H 3>>S+ 0 0 17 1,-0.2 4,-1.4 2,-0.2 5,-0.5 0.788 98.5 60.5 -68.7 -24.3 -3.3 28.0 48.3 181 222 A V H <45S+ 0 0 17 -3,-1.0 3,-0.4 1,-0.2 -1,-0.2 0.928 102.3 53.2 -67.6 -38.1 -1.4 27.8 51.6 182 223 A L H <5S+ 0 0 65 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.872 111.9 44.2 -62.0 -36.5 -0.5 31.5 51.2 183 224 A H H <5S- 0 0 110 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.607 113.8-114.8 -92.1 -13.3 -4.2 32.4 50.7 184 225 A G T <5S+ 0 0 51 -4,-1.4 2,-0.8 -3,-0.4 -3,-0.1 0.107 84.2 96.9 114.4 -24.3 -5.6 30.3 53.6 185 226 A T < + 0 0 128 -5,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.887 52.8 145.2-100.4 105.5 -7.8 27.6 52.1 186 227 A Y + 0 0 79 -2,-0.8 2,-0.2 -5,-0.1 -5,-0.0 -0.965 22.3 174.4-144.6 159.8 -5.8 24.4 51.7 187 228 A D > - 0 0 70 -2,-0.3 3,-2.3 -55,-0.0 4,-0.3 -0.714 59.7 -56.6-144.9-168.4 -6.0 20.7 51.9 188 229 A E T >> S+ 0 0 78 1,-0.3 3,-1.9 -2,-0.2 4,-0.6 0.752 117.0 77.1 -57.7 -24.9 -3.8 17.6 51.3 189 230 A K H >> S+ 0 0 29 1,-0.3 4,-1.7 2,-0.2 3,-0.7 0.747 77.5 75.7 -57.7 -19.9 -3.1 18.6 47.7 190 231 A C H <> S+ 0 0 0 -3,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.844 89.8 57.7 -60.8 -30.2 -0.6 21.2 49.0 191 232 A D H <> S+ 0 0 0 -3,-1.9 4,-2.1 -4,-0.3 -1,-0.2 0.829 101.9 53.3 -70.2 -30.8 1.7 18.2 49.6 192 233 A V H S- 0 0 52 210,-0.1 4,-2.0 208,-0.1 5,-0.1 -0.943 90.0 -85.4-163.6 176.6 14.6 37.6 48.3 214 255 A E H > S+ 0 0 29 206,-0.4 4,-2.3 -2,-0.3 5,-0.1 0.883 122.3 47.6 -65.2 -41.8 11.8 35.8 50.2 215 256 A Y H > S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 108.9 54.0 -70.8 -33.0 9.0 38.0 49.2 216 257 A D H > S+ 0 0 53 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.866 108.6 51.1 -66.5 -35.7 9.9 37.9 45.5 217 258 A I H X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.2 3,-0.2 0.950 109.8 49.1 -61.3 -51.0 9.9 34.1 45.7 218 259 A L H X S+ 0 0 29 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.859 106.9 56.3 -58.7 -37.0 6.4 34.2 47.3 219 260 A K H X S+ 0 0 90 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.900 108.9 46.7 -60.3 -43.5 5.2 36.5 44.5 220 261 A K H X S+ 0 0 101 -4,-1.6 4,-2.1 -3,-0.2 5,-0.5 0.897 112.0 50.6 -65.7 -44.3 6.3 34.0 41.9 221 262 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.948 109.9 49.9 -55.5 -49.4 4.7 31.2 43.7 222 263 A E H < S+ 0 0 77 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.891 109.8 49.9 -64.5 -38.5 1.4 33.1 44.0 223 264 A K H < S- 0 0 131 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.865 96.1-155.4 -64.4 -34.4 1.5 33.9 40.2 224 265 A G < + 0 0 10 -4,-2.1 2,-0.3 1,-0.2 -3,-0.1 0.492 41.2 134.7 78.3 6.5 2.1 30.1 39.8 225 266 A K + 0 0 178 -5,-0.5 2,-0.3 25,-0.0 -1,-0.2 -0.655 20.3 156.0 -94.7 143.2 3.8 30.4 36.4 226 267 A Y - 0 0 53 -2,-0.3 2,-0.3 -17,-0.1 -17,-0.1 -0.951 21.2-148.6-153.0 168.5 7.0 28.4 35.5 227 268 A T - 0 0 81 -2,-0.3 3,-0.2 -19,-0.2 -2,-0.0 -0.918 20.5-142.4-140.2 163.4 8.7 27.2 32.4 228 269 A F + 0 0 41 -2,-0.3 5,-0.1 1,-0.1 13,-0.0 -0.180 65.8 117.4-111.8 36.7 10.9 24.3 31.2 229 270 A E + 0 0 163 3,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.523 38.1 114.5 -86.9 -2.6 13.0 26.5 28.9 230 271 A L S > S- 0 0 60 -3,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.306 78.2-117.3 -62.3 149.8 16.3 26.0 30.7 231 272 A P G > S+ 0 0 104 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.895 111.6 62.1 -58.5 -37.1 18.9 24.2 28.6 232 273 A Q G > S+ 0 0 15 1,-0.3 3,-0.5 2,-0.2 4,-0.1 0.651 87.5 71.5 -69.8 -13.4 19.1 21.2 31.0 233 274 A W G X S+ 0 0 3 -3,-1.4 3,-1.2 1,-0.2 -1,-0.3 0.664 83.5 71.7 -69.4 -17.1 15.4 20.5 30.4 234 275 A K G < S+ 0 0 189 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.877 91.9 56.9 -66.2 -35.0 16.3 19.2 26.9 235 276 A K G < S+ 0 0 87 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.2 0.552 96.1 91.6 -64.3 -11.1 18.0 16.2 28.6 236 277 A V S < S- 0 0 8 -3,-1.2 5,-0.0 -4,-0.1 -3,-0.0 -0.722 79.0-109.4-105.0 138.7 14.6 15.3 30.3 237 278 A S > - 0 0 22 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.131 20.1-127.2 -55.8 150.2 11.7 13.0 29.3 238 279 A E H > S+ 0 0 150 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.860 111.1 59.6 -65.9 -33.5 8.4 14.5 28.2 239 280 A S H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 27,-0.3 0.892 101.9 51.8 -66.0 -39.3 6.7 12.2 30.8 240 281 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 111.7 46.8 -60.7 -43.1 8.7 13.7 33.6 241 282 A K H X S+ 0 0 39 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.857 109.1 55.3 -68.0 -33.2 7.6 17.2 32.6 242 283 A D H X S+ 0 0 50 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.904 109.7 46.5 -63.9 -41.9 4.0 16.0 32.2 243 284 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.921 111.0 51.4 -69.8 -44.2 4.0 14.8 35.8 244 285 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.940 109.0 51.7 -54.3 -48.6 5.6 18.0 37.0 245 286 A R H < S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.900 110.7 48.8 -55.5 -41.8 2.8 20.0 35.2 246 287 A K H >< S+ 0 0 70 -4,-1.8 10,-1.5 1,-0.2 3,-0.7 0.833 113.4 45.7 -69.1 -35.1 0.2 17.9 36.9 247 288 A X H 3< S+ 0 0 0 -4,-2.1 -51,-0.2 1,-0.2 -2,-0.2 0.802 113.9 49.1 -78.0 -29.5 1.7 18.3 40.3 248 289 A L T 3< S+ 0 0 4 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.2 -0.141 77.9 139.5 -99.7 33.9 2.2 22.1 39.8 249 290 A T < - 0 0 30 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.635 51.4-139.4 -76.7 133.6 -1.4 22.6 38.7 250 291 A Y S S+ 0 0 89 -2,-0.3 -70,-0.2 4,-0.1 -1,-0.1 0.953 84.5 62.9 -68.9 -50.7 -2.6 25.8 40.2 251 292 A V S >> S- 0 0 76 1,-0.2 3,-1.3 -3,-0.1 4,-0.8 -0.626 78.2-145.9 -79.5 119.4 -6.2 24.9 41.3 252 293 A P G >4 S+ 0 0 29 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.855 95.8 59.3 -64.2 -32.3 -5.9 22.1 43.8 253 294 A S G 34 S+ 0 0 85 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.816 110.1 45.7 -59.9 -26.7 -9.1 20.3 42.8 254 295 A X G <4 S+ 0 0 141 -3,-1.3 -1,-0.2 2,-0.1 2,-0.2 0.596 94.8 100.7 -89.5 -13.3 -7.5 20.0 39.3 255 296 A R S << S- 0 0 4 -3,-0.8 -8,-0.2 -4,-0.8 -9,-0.1 -0.485 83.1-100.0 -76.9 145.2 -4.1 18.9 40.7 256 297 A I - 0 0 29 -10,-1.5 2,-0.1 -2,-0.2 -1,-0.1 -0.237 35.6-121.2 -62.5 140.8 -3.1 15.2 40.7 257 298 A S > - 0 0 34 1,-0.1 4,-1.9 -65,-0.1 5,-0.1 -0.439 22.5-113.5 -74.3 164.5 -3.5 13.3 43.9 258 299 A A H > S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 -136,-0.1 0.912 117.7 50.4 -63.7 -41.8 -0.4 11.7 45.5 259 300 A R H > S+ 0 0 120 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.878 110.8 47.8 -69.0 -39.6 -1.9 8.2 44.8 260 301 A D H >4 S+ 0 0 94 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.833 104.4 60.5 -67.7 -32.9 -2.6 9.0 41.2 261 302 A A H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 6,-0.3 0.860 97.1 61.3 -64.2 -33.0 0.9 10.4 40.7 262 303 A L H 3< S+ 0 0 27 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.769 104.1 49.3 -61.0 -27.6 2.2 6.9 41.7 263 304 A D T << S+ 0 0 92 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.419 85.4 125.5 -89.0 2.2 0.4 5.5 38.6 264 305 A H S X> S- 0 0 13 -3,-1.6 4,-2.5 -4,-0.2 3,-0.8 -0.379 72.4-119.2 -69.4 138.3 1.9 8.1 36.3 265 306 A E H 3> S+ 0 0 132 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.818 112.3 56.3 -38.2 -45.9 3.7 6.8 33.2 266 307 A W H 3> S+ 0 0 0 -27,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.902 110.0 42.4 -62.4 -44.2 6.9 8.5 34.4 267 308 A I H <> S+ 0 0 1 -3,-0.8 4,-1.5 -6,-0.3 -1,-0.2 0.918 116.0 50.1 -66.8 -42.6 7.0 6.7 37.8 268 309 A Q H < S+ 0 0 83 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.909 117.5 38.9 -64.8 -42.9 5.9 3.4 36.2 269 310 A T H >< S+ 0 0 82 -4,-2.8 3,-1.2 -5,-0.2 -2,-0.2 0.969 119.1 42.4 -70.3 -54.6 8.6 3.5 33.5 270 311 A Y H 3< S+ 0 0 47 -4,-2.2 -158,-0.2 -5,-0.3 -2,-0.2 0.588 107.6 58.6 -79.7 -11.6 11.6 5.0 35.4 271 312 A T T 3< 0 0 9 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 0.310 360.0 360.0 -99.2 8.2 11.3 2.9 38.6 272 313 A K < 0 0 169 -3,-1.2 -160,-0.1 -4,-0.1 -4,-0.0 -0.723 360.0 360.0 -82.9 360.0 11.5 -0.5 36.9 273 ! 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 0.0 274 319 A D 0 0 217 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.5 20.4 3.4 29.1 275 320 A V - 0 0 37 -169,-0.0 -169,-0.0 0, 0.0 2,-0.0 -0.953 360.0-122.9-111.5 129.9 19.4 6.6 30.8 276 321 A P - 0 0 79 0, 0.0 -169,-0.5 0, 0.0 2,-0.2 -0.305 26.0-104.6 -72.0 158.7 21.9 9.5 30.7 277 322 A S B -I 106 0D 21 -171,-0.1 2,-1.3 1,-0.1 -171,-0.2 -0.593 20.8-132.8 -79.8 142.9 23.2 11.2 33.7 278 323 A L > + 0 0 3 -173,-3.5 4,-1.9 -2,-0.2 5,-0.2 -0.579 41.2 162.0 -92.1 72.9 21.8 14.7 34.6 279 324 A D H > + 0 0 84 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.845 69.8 51.1 -69.3 -38.7 25.2 16.3 35.1 280 325 A N H > S+ 0 0 56 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 109.2 53.1 -64.3 -37.1 24.1 19.9 34.8 281 326 A A H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.934 108.4 49.0 -63.4 -45.2 21.3 19.2 37.3 282 327 A I H X S+ 0 0 7 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.893 111.1 51.3 -61.5 -41.6 23.8 17.8 39.9 283 328 A L H X S+ 0 0 104 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.918 112.4 45.4 -59.6 -46.6 26.1 20.9 39.4 284 329 A N H X S+ 0 0 36 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.882 112.4 50.7 -68.2 -39.7 23.1 23.2 40.0 285 330 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.915 107.5 53.6 -63.0 -42.5 21.9 21.3 43.1 286 331 A R H X S+ 0 0 98 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.899 112.9 44.4 -58.5 -41.1 25.4 21.3 44.6 287 332 A Q H X S+ 0 0 122 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.911 113.2 50.4 -67.1 -46.6 25.4 25.1 44.1 288 333 A F H X S+ 0 0 21 -4,-2.6 4,-2.6 -83,-0.2 5,-0.2 0.930 113.1 46.3 -55.5 -48.9 21.9 25.5 45.5 289 334 A Q H X S+ 0 0 12 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.909 110.7 51.7 -66.7 -44.0 22.7 23.5 48.5 290 335 A G H X S+ 0 0 20 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.903 112.7 45.9 -57.0 -43.9 25.9 25.3 49.3 291 336 A T H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.919 112.7 49.0 -67.5 -45.5 24.2 28.6 49.1 292 337 A Q H X S+ 0 0 19 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.926 112.7 49.4 -59.2 -45.3 21.2 27.6 51.3 293 338 A K H X S+ 0 0 75 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.881 111.4 47.5 -64.4 -40.2 23.6 26.1 53.8 294 339 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.928 111.2 50.7 -70.2 -41.8 25.8 29.2 54.0 295 340 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.946 112.5 47.4 -55.9 -49.1 22.8 31.6 54.4 296 341 A Q H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.915 112.0 49.6 -56.2 -47.3 21.5 29.4 57.2 297 342 A A H X S+ 0 0 20 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.846 109.2 53.5 -61.2 -39.4 25.0 29.3 58.8 298 343 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.939 110.6 45.5 -60.4 -47.5 25.2 33.2 58.5 299 344 A L H X S+ 0 0 22 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.894 113.5 49.1 -65.9 -39.2 21.8 33.7 60.3 300 345 A L H X S+ 0 0 60 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.876 108.9 53.9 -69.6 -37.8 22.7 31.1 63.0 301 346 A Y H X S+ 0 0 18 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.916 110.7 45.1 -56.9 -50.3 26.0 32.8 63.6 302 347 A X H X S+ 0 0 16 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.904 113.0 51.3 -62.8 -42.6 24.4 36.2 64.1 303 348 A G H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.899 109.3 51.9 -58.6 -41.8 21.7 34.6 66.4 304 349 A S H X S+ 0 0 47 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.891 108.0 50.1 -65.0 -39.9 24.6 33.0 68.4 305 350 A K H X S+ 0 0 55 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.939 112.7 47.0 -62.3 -45.8 26.3 36.3 68.9 306 351 A L H X S+ 0 0 83 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 110.7 51.6 -61.4 -44.7 23.0 37.9 70.1 307 352 A T H X S+ 0 0 64 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.902 109.5 51.8 -59.6 -40.5 22.3 35.0 72.4 308 353 A S H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.877 106.8 51.2 -62.9 -39.8 25.8 35.4 73.9 309 354 A Q H X S+ 0 0 61 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.913 116.7 43.0 -61.0 -41.0 25.3 39.2 74.5 310 355 A D H X S+ 0 0 114 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.983 119.2 40.1 -68.4 -57.6 22.1 38.2 76.3 311 356 A E H X S+ 0 0 29 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.743 107.8 60.5 -66.5 -31.0 23.4 35.2 78.3 312 357 A T H X S+ 0 0 39 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.950 111.1 39.2 -66.6 -45.6 26.8 36.6 79.3 313 358 A K H X S+ 0 0 146 -4,-1.0 4,-2.1 -5,-0.3 -1,-0.2 0.843 115.4 53.0 -73.7 -35.9 25.4 39.5 81.2 314 359 A E H X S+ 0 0 87 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.968 109.5 48.3 -62.5 -49.7 22.6 37.4 82.7 315 360 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.913 111.7 50.8 -57.6 -43.0 25.0 34.8 84.0 316 361 A T H X S+ 0 0 58 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.915 111.2 46.9 -58.2 -45.7 27.2 37.5 85.5 317 362 A A H X S+ 0 0 55 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.871 110.6 54.0 -66.8 -36.6 24.2 39.2 87.3 318 363 A I H X S+ 0 0 6 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.948 113.4 40.7 -61.5 -49.7 23.0 35.8 88.6 319 364 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.876 110.4 58.2 -69.8 -38.4 26.4 35.0 90.1 320 365 A H H < S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.928 108.2 47.8 -53.8 -45.8 26.9 38.6 91.4 321 366 A K H < S+ 0 0 163 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 112.2 48.8 -60.4 -44.5 23.6 38.1 93.3 322 367 A X H < S+ 0 0 34 -4,-1.9 2,-2.2 1,-0.2 -1,-0.2 0.782 89.4 84.0 -66.9 -30.2 24.8 34.7 94.7 323 368 A D >< + 0 0 13 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 -0.516 63.5 178.8 -76.6 78.8 28.1 36.1 95.9 324 369 A K T 3 S+ 0 0 190 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.769 76.2 39.6 -62.0 -35.1 26.6 37.4 99.1 325 370 A N T 3 S- 0 0 126 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.341 107.3-127.2 -98.0 8.1 29.8 38.8 100.7 326 371 A G < + 0 0 59 -3,-1.7 -2,-0.1 -6,-0.2 -3,-0.1 0.716 68.7 128.2 63.1 29.4 30.9 40.2 97.3 327 372 A D S S- 0 0 91 2,-0.2 -1,-0.1 0, 0.0 3,-0.1 0.515 76.1-115.2 -92.7 -6.7 34.4 38.7 97.0 328 373 A G S S+ 0 0 8 1,-0.2 48,-1.8 -9,-0.1 2,-0.4 0.498 74.6 121.3 91.3 7.8 33.8 37.1 93.6 329 374 A Q E +J 375 0E 59 46,-0.2 2,-0.3 47,-0.1 46,-0.2 -0.909 28.6 165.5-116.5 127.6 34.2 33.4 94.7 330 375 A L E -J 374 0E 1 44,-2.5 44,-3.3 -2,-0.4 2,-0.1 -0.932 30.5-121.6-131.6 155.2 31.6 30.6 94.3 331 376 A D E > -J 373 0E 41 -2,-0.3 4,-2.5 42,-0.2 5,-0.2 -0.339 35.7 -97.8 -91.7 175.2 31.9 26.9 94.7 332 377 A R H > S+ 0 0 61 40,-0.6 4,-2.5 38,-0.4 5,-0.2 0.899 123.0 55.4 -62.8 -41.0 31.1 24.4 92.0 333 378 A A H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 110.6 48.0 -62.0 -34.6 27.6 23.6 93.4 334 379 A E H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.919 107.8 52.8 -69.1 -46.3 26.9 27.3 93.2 335 380 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.903 111.2 49.3 -55.3 -40.2 28.2 27.6 89.6 336 381 A I H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.922 109.9 49.7 -63.5 -44.4 25.8 24.8 88.7 337 382 A E H X S+ 0 0 106 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.867 114.3 45.7 -64.5 -39.5 22.8 26.4 90.5 338 383 A G H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.904 111.9 49.6 -69.1 -43.8 23.5 29.7 88.6 339 384 A Y H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.878 112.1 51.2 -62.3 -36.0 24.0 28.0 85.3 340 385 A K H X S+ 0 0 60 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.905 107.7 50.8 -63.3 -46.7 20.7 26.2 86.1 341 386 A E H < S+ 0 0 74 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.853 111.3 51.8 -60.3 -35.2 19.0 29.6 86.8 342 387 A L H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.983 108.6 44.9 -63.8 -59.9 20.3 30.8 83.5 343 388 A X H < 0 0 24 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.784 360.0 360.0 -63.3 -24.3 19.1 27.9 81.2 344 389 A R < 0 0 178 -4,-1.9 -1,-0.1 -5,-0.2 6,-0.0 -0.387 360.0 360.0 -50.8 360.0 15.8 28.3 83.1 345 ! 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 0.0 346 394 A D > 0 0 81 0, 0.0 3,-2.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 86.9 19.9 25.1 74.5 347 395 A A G > + 0 0 18 1,-0.3 3,-0.8 2,-0.1 -322,-0.1 0.746 360.0 65.5 -55.8 -25.4 17.7 22.0 74.4 348 396 A S G 3 S+ 0 0 36 1,-0.2 -1,-0.3 -324,-0.1 -336,-0.1 0.532 96.0 57.4 -76.9 -3.9 20.7 19.9 75.5 349 397 A X G < + 0 0 21 -3,-2.2 2,-0.3 1,-0.1 -1,-0.2 -0.068 69.8 109.1-117.8 30.2 20.9 21.6 78.9 350 398 A L < + 0 0 48 -3,-0.8 2,-0.3 4,-0.0 -1,-0.1 -0.413 66.1 69.2-107.3 51.3 17.4 20.8 80.2 351 399 A D S > S- 0 0 43 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.898 79.7-128.0-163.5 137.6 18.4 18.3 82.9 352 400 A A H > S+ 0 0 46 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.904 110.7 51.7 -57.7 -44.6 20.3 18.9 86.1 353 401 A S H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 107.3 51.9 -63.2 -39.2 22.9 16.1 85.3 354 402 A A H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 110.9 49.1 -63.0 -36.8 23.6 17.7 81.8 355 403 A V H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.942 109.4 50.7 -69.4 -44.9 24.3 21.0 83.5 356 404 A E H X S+ 0 0 72 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.941 111.2 50.2 -52.4 -47.7 26.6 19.5 86.1 357 405 A H H X S+ 0 0 120 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.903 110.3 49.0 -61.9 -42.3 28.5 17.8 83.2 358 406 A E H X S+ 0 0 30 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.872 108.3 52.6 -67.0 -38.4 28.8 21.1 81.3 359 407 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.950 108.7 51.4 -63.0 -44.3 30.1 23.0 84.3 360 408 A D H X S+ 0 0 23 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.854 107.1 53.5 -61.3 -36.6 32.8 20.4 84.8 361 409 A Q H X S+ 0 0 81 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.911 111.0 46.2 -62.4 -42.4 33.8 20.7 81.1 362 410 A V H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.929 113.3 48.4 -64.7 -46.9 34.2 24.5 81.5 363 411 A L H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.6 0.925 112.6 48.3 -60.1 -45.2 36.2 24.1 84.8 364 412 A D H ><5S+ 0 0 90 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.854 103.5 63.0 -64.3 -34.7 38.5 21.4 83.2 365 413 A A H 3<5S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.908 115.1 30.7 -54.5 -45.0 39.0 23.7 80.2 366 414 A V H 3<5S- 0 0 59 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.393 111.0-116.4 -96.4 1.0 40.7 26.3 82.4 367 415 A D T <<5 + 0 0 147 -3,-0.7 2,-0.5 -4,-0.6 -3,-0.2 0.904 55.2 162.1 54.3 44.9 42.2 23.9 85.0 368 416 A F < - 0 0 43 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.806 47.2-112.2 -81.6 134.2 40.1 25.4 87.8 369 417 A D > - 0 0 114 -2,-0.5 3,-0.8 1,-0.1 -5,-0.0 -0.554 22.1-149.3 -68.4 127.9 40.0 22.9 90.7 370 418 A K T 3 S+ 0 0 78 -2,-0.4 -38,-0.4 1,-0.2 -1,-0.1 0.680 87.2 57.1 -74.8 -17.4 36.5 21.6 91.0 371 419 A N T 3 S+ 0 0 147 -40,-0.1 -1,-0.2 -39,-0.1 2,-0.1 0.518 101.5 54.1-100.6 -2.4 36.5 21.1 94.7 372 420 A G S < S- 0 0 32 -3,-0.8 -40,-0.6 1,-0.1 2,-0.3 -0.252 100.0 -65.7-108.4-163.4 37.4 24.5 96.0 373 421 A Y E -J 331 0E 155 -42,-0.2 2,-0.3 -2,-0.1 -42,-0.2 -0.716 51.6-151.5 -91.4 144.8 36.0 28.0 95.5 374 422 A I E -J 330 0E 1 -44,-3.3 -44,-2.5 -2,-0.3 2,-0.9 -0.913 22.9-112.7-126.6 139.2 36.3 29.5 92.0 375 423 A E E >> -J 329 0E 62 -2,-0.3 4,-1.4 -46,-0.2 3,-1.0 -0.617 33.5-159.4 -67.7 104.5 36.5 33.1 90.6 376 424 A Y H 3> S+ 0 0 21 -48,-1.8 4,-2.6 -2,-0.9 5,-0.2 0.832 83.4 62.0 -66.2 -36.0 33.1 33.2 88.9 377 425 A S H 3> S+ 0 0 54 -49,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.863 105.6 50.7 -57.1 -31.9 33.9 36.0 86.4 378 426 A E H <> S+ 0 0 94 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.903 107.8 51.6 -71.9 -40.0 36.6 33.6 85.0 379 427 A F H X S+ 0 0 1 -4,-1.4 4,-3.1 2,-0.2 5,-0.3 0.953 110.5 49.0 -57.0 -50.6 34.1 30.8 84.7 380 428 A V H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.945 111.5 49.2 -55.5 -50.5 31.6 33.0 82.8 381 429 A T H X S+ 0 0 73 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.953 114.8 44.6 -55.5 -49.5 34.4 34.2 80.4 382 430 A V H X S+ 0 0 31 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.931 113.4 48.7 -63.1 -47.6 35.5 30.7 79.7 383 431 A A H X S+ 0 0 0 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.828 117.7 41.7 -64.2 -33.4 32.0 29.2 79.3 384 432 A X H X S+ 0 0 5 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.871 112.2 53.2 -82.2 -39.1 31.0 32.0 76.9 385 433 A D H X S+ 0 0 93 -4,-3.2 4,-2.7 -5,-0.3 -2,-0.2 0.901 105.6 56.0 -62.3 -40.3 34.3 32.1 75.0 386 434 A R H X S+ 0 0 79 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.935 110.8 44.3 -48.0 -50.3 33.9 28.3 74.3 387 435 A K H X S+ 0 0 50 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.882 112.3 50.4 -70.0 -39.5 30.5 29.0 72.8 388 436 A T H X S+ 0 0 63 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.886 111.8 50.0 -62.8 -38.1 31.8 32.0 70.8 389 437 A L H X S+ 0 0 99 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.924 110.4 49.8 -65.9 -42.7 34.6 29.8 69.5 390 438 A L H X S+ 0 0 75 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.885 110.5 49.2 -62.9 -42.8 32.2 27.0 68.5 391 439 A S H X S+ 0 0 19 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.879 109.7 51.4 -64.5 -41.4 30.0 29.4 66.6 392 440 A R H X S+ 0 0 83 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.929 109.6 51.0 -62.6 -44.2 32.9 30.8 64.7 393 441 A E H X S+ 0 0 83 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.851 107.9 51.5 -62.8 -36.3 34.1 27.3 63.8 394 442 A R H X S+ 0 0 133 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.899 110.5 48.9 -69.2 -38.7 30.6 26.3 62.4 395 443 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.944 109.8 52.1 -63.5 -44.4 30.4 29.4 60.2 396 444 A E H X S+ 0 0 54 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.920 105.0 54.3 -60.6 -45.6 33.9 28.8 58.9 397 445 A R H X S+ 0 0 145 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.908 111.0 46.9 -54.3 -43.0 33.1 25.2 57.9 398 446 A A H X S+ 0 0 18 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.840 110.4 51.9 -70.2 -33.8 30.1 26.5 55.9 399 447 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.937 111.5 47.6 -64.0 -48.5 32.2 29.3 54.3 400 448 A R H < S+ 0 0 111 -4,-2.9 6,-0.2 1,-0.2 -2,-0.2 0.888 110.5 52.1 -60.1 -42.0 34.9 26.7 53.2 401 449 A X H < S+ 0 0 148 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.915 110.7 47.6 -61.7 -40.8 32.1 24.3 51.8 402 450 A F H < S+ 0 0 20 -4,-1.9 2,-2.2 1,-0.2 -1,-0.2 0.821 97.2 72.1 -68.6 -35.4 30.6 27.2 49.7 403 451 A D >< + 0 0 12 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 -0.507 64.0 168.1 -79.8 70.0 34.0 28.2 48.3 404 452 A S T 3 S+ 0 0 92 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.746 70.4 53.7 -67.6 -23.6 34.2 25.1 46.1 405 453 A D T 3 S- 0 0 148 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.300 107.7-123.5 -85.7 4.6 37.2 26.4 44.1 406 454 A N < + 0 0 140 -3,-1.9 -2,-0.1 -6,-0.2 -6,-0.0 0.837 63.0 145.2 55.5 38.6 39.2 27.0 47.2 407 455 A S - 0 0 67 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.737 58.3-130.7 -75.9 -23.3 39.7 30.7 46.2 408 456 A G S S+ 0 0 23 1,-0.3 38,-0.5 -5,-0.2 2,-0.3 0.387 76.2 87.5 84.8 -1.6 39.5 31.8 49.8 409 457 A K E -K 445 0F 72 36,-0.2 2,-0.4 37,-0.1 -1,-0.3 -0.875 62.8-148.1-135.1 154.4 37.0 34.5 48.7 410 458 A I E -K 444 0F 0 34,-2.3 34,-2.1 -2,-0.3 -7,-0.0 -0.996 32.0-132.4-118.9 126.4 33.3 35.1 48.1 411 459 A S E > -K 443 0F 41 -2,-0.4 4,-2.6 32,-0.2 32,-0.3 -0.241 21.8-107.1 -73.9 167.4 32.6 37.6 45.3 412 460 A S H > S+ 0 0 38 30,-2.2 4,-2.0 1,-0.2 31,-0.1 0.885 122.3 51.4 -59.7 -41.1 30.2 40.5 45.5 413 461 A T H > S+ 0 0 108 29,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.887 109.3 49.8 -63.7 -39.5 27.7 38.6 43.2 414 462 A E H > S+ 0 0 63 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.913 108.6 52.8 -66.4 -40.3 27.9 35.6 45.5 415 463 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.910 105.3 55.3 -60.0 -42.4 27.2 37.9 48.6 416 464 A A H X S+ 0 0 42 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.900 111.1 44.5 -55.7 -44.9 24.2 39.2 46.8 417 465 A T H X S+ 0 0 73 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.936 115.2 47.6 -65.0 -49.0 22.8 35.6 46.4 418 466 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.945 115.2 43.1 -59.1 -53.2 23.7 34.6 50.0 419 467 A F H <>S+ 0 0 0 -4,-3.0 5,-2.6 2,-0.2 -1,-0.2 0.818 110.9 56.9 -67.0 -30.3 22.1 37.7 51.6 420 468 A G H ><5S+ 0 0 10 -4,-1.6 3,-1.2 -5,-0.4 -206,-0.4 0.939 109.7 44.3 -61.2 -46.0 19.1 37.5 49.3 421 469 A V H 3<5S+ 0 0 26 -4,-2.2 -249,-0.2 1,-0.3 -2,-0.2 0.910 114.6 49.8 -63.2 -41.5 18.5 33.9 50.5 422 470 A S T 3<5S- 0 0 2 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.421 111.1-129.5 -71.8 -3.5 19.1 35.2 54.1 423 471 A D T < 5 + 0 0 59 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.754 50.6 158.8 51.4 31.4 16.6 38.0 53.3 424 472 A V < - 0 0 27 -5,-2.6 -1,-0.2 -6,-0.1 5,-0.1 -0.742 52.9 -98.8 -80.5 124.5 19.1 40.7 54.5 425 473 A D > - 0 0 87 -2,-0.5 4,-2.6 -3,-0.1 3,-0.4 -0.131 28.2-132.2 -47.6 131.9 18.2 44.0 52.9 426 474 A S H > S+ 0 0 60 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.893 104.0 44.0 -61.3 -50.5 20.3 44.8 49.9 427 475 A E H > S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.799 114.0 56.3 -65.2 -21.7 21.3 48.4 50.6 428 476 A T H > S+ 0 0 66 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.965 112.0 37.0 -75.3 -51.9 22.0 47.2 54.2 429 477 A W H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.932 116.7 54.6 -67.9 -38.4 24.5 44.4 53.3 430 478 A K H X S+ 0 0 103 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.897 107.8 50.4 -58.5 -42.9 25.9 46.6 50.5 431 479 A S H X S+ 0 0 79 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.920 111.7 46.5 -57.7 -47.2 26.5 49.4 53.1 432 480 A V H X S+ 0 0 13 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.890 110.1 54.3 -66.4 -39.2 28.3 47.0 55.4 433 481 A L H X S+ 0 0 15 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.847 105.3 54.0 -59.0 -36.4 30.4 45.6 52.4 434 482 A S H < S+ 0 0 86 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.826 109.4 47.8 -68.6 -32.8 31.5 49.2 51.7 435 483 A E H < S+ 0 0 95 -4,-1.4 3,-0.3 -5,-0.1 -2,-0.2 0.895 120.8 36.7 -68.3 -40.7 32.7 49.6 55.3 436 484 A V H < S+ 0 0 22 -4,-2.0 2,-1.6 1,-0.2 -2,-0.2 0.940 112.0 56.4 -82.9 -48.4 34.6 46.3 55.2 437 485 A D >< + 0 0 14 -4,-3.0 3,-1.4 -5,-0.2 -1,-0.2 -0.527 60.7 163.7 -86.0 70.6 35.9 46.3 51.6 438 486 A K T 3 S+ 0 0 155 -2,-1.6 -1,-0.2 -3,-0.3 -4,-0.1 0.548 71.5 55.3 -65.2 -8.0 37.8 49.6 51.6 439 487 A N T 3 S- 0 0 124 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.338 103.4-122.0-108.7 5.9 39.7 48.6 48.4 440 488 A N < + 0 0 152 -3,-1.4 -2,-0.1 -6,-0.1 -6,-0.0 0.860 61.9 145.8 51.9 39.6 36.8 47.9 46.0 441 489 A D - 0 0 96 2,-0.2 -29,-0.1 1,-0.0 -1,-0.1 0.765 52.9-139.9 -71.3 -23.7 38.2 44.3 45.6 442 490 A G S S+ 0 0 26 1,-0.2 -30,-2.2 -5,-0.1 2,-0.3 0.789 71.2 76.9 65.8 30.2 34.5 43.2 45.2 443 491 A E E -K 411 0F 70 -32,-0.3 2,-0.3 -31,-0.1 -32,-0.2 -0.964 63.5-147.2-160.1 158.9 35.2 40.1 47.3 444 492 A V E -K 410 0F 0 -34,-2.1 -34,-2.3 -2,-0.3 2,-0.1 -0.975 9.0-139.1-131.9 143.3 35.7 39.1 50.9 445 493 A D E > -K 409 0F 58 -2,-0.3 4,-2.5 -36,-0.2 5,-0.2 -0.314 45.8 -86.1 -83.6-177.0 37.7 36.5 52.7 446 494 A F H > S+ 0 0 9 -38,-0.5 4,-2.8 1,-0.2 5,-0.2 0.927 126.9 47.6 -60.5 -47.2 36.4 34.5 55.7 447 495 A D H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 112.5 49.2 -63.8 -41.6 37.4 37.0 58.3 448 496 A E H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 110.8 50.7 -61.9 -42.6 35.9 39.9 56.4 449 497 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.936 110.4 49.4 -60.7 -47.4 32.7 38.0 55.8 450 498 A Q H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.911 108.8 53.8 -57.6 -42.7 32.5 37.2 59.6 451 499 A Q H X S+ 0 0 73 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.897 106.0 52.3 -57.6 -44.1 33.1 41.0 60.2 452 500 A X H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.935 108.4 51.4 -57.0 -47.1 30.1 41.9 57.9 453 501 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.905 107.9 51.2 -60.5 -42.3 27.9 39.5 59.9 454 502 A L H ><>S+ 0 0 40 -4,-2.2 5,-2.7 1,-0.2 3,-1.4 0.916 110.3 49.6 -59.0 -42.8 28.9 41.1 63.2 455 503 A K H ><5S+ 0 0 65 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.768 105.9 58.1 -68.1 -22.6 28.0 44.5 61.7 456 504 A L T 3<5S+ 0 0 36 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.377 106.4 48.9 -90.5 3.4 24.7 43.1 60.6 457 505 A C T < 5S- 0 0 16 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 -0.067 129.0 -89.4-128.9 40.6 23.8 42.2 64.2 458 506 A G T < 5 0 0 73 -3,-0.9 -3,-0.2 1,-0.1 -2,-0.1 0.593 360.0 360.0 75.2 14.7 24.7 45.5 65.8 459 507 A N < 0 0 92 -5,-2.7 -4,-0.2 -6,-0.2 -3,-0.1 -0.296 360.0 360.0-117.0 360.0 28.3 44.7 66.5