==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-09 3I3L . COMPND 2 MOLECULE: ALKYLHALIDASE CMLS; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR K.PODZELINSKA,A.SOARES,Z.JIA,MONTREAL-KINGSTON BACTERIAL . 550 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 16.7 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 41 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 2 4 0 3 2 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 1 2 2 1 1 0 3 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 . 0 4 0 0 1 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 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 0 A H 0 0 147 0, 0.0 326,-0.1 0, 0.0 327,-0.1 0.000 360.0 360.0 360.0 -29.5 64.5 -7.9 38.2 2 1 A M + 0 0 177 325,-0.1 2,-0.1 2,-0.0 325,-0.1 0.505 360.0 113.3 -95.7 -10.2 63.2 -9.6 35.1 3 2 A T + 0 0 84 323,-0.1 2,-0.3 324,-0.1 323,-0.0 -0.431 42.4 178.7 -66.0 135.3 60.3 -7.1 35.1 4 3 A R - 0 0 85 -2,-0.1 2,-0.3 322,-0.1 24,-0.1 -0.945 18.9-123.1-132.9 159.5 60.1 -4.5 32.3 5 4 A S - 0 0 7 -2,-0.3 24,-2.5 152,-0.0 2,-0.6 -0.649 10.3-126.7-106.4 149.9 57.5 -1.8 31.4 6 5 A K E -a 29 0A 86 -2,-0.3 152,-1.8 22,-0.2 153,-1.8 -0.874 38.0-168.0 -84.8 126.4 55.4 -0.9 28.5 7 6 A V E -ab 30 159A 2 22,-3.0 24,-2.3 -2,-0.6 2,-0.3 -0.964 16.8-155.7-129.7 123.1 56.1 2.8 27.8 8 7 A A E -ab 31 160A 5 151,-2.3 153,-2.4 -2,-0.5 2,-0.5 -0.740 12.7-161.0 -88.8 138.9 54.4 5.3 25.6 9 8 A I E -ab 32 161A 0 22,-2.5 24,-2.6 -2,-0.3 2,-0.7 -0.976 7.1-150.1-125.6 119.5 56.4 8.1 24.3 10 9 A I E +ab 33 162A 10 151,-2.8 153,-2.4 -2,-0.5 24,-0.2 -0.798 68.0 20.8 -89.5 116.4 54.8 11.3 23.0 11 10 A G - 0 0 8 22,-3.2 23,-0.2 -2,-0.7 22,-0.1 0.242 58.4-139.1 103.0 133.3 56.9 12.9 20.3 12 11 A G + 0 0 0 4,-0.2 103,-0.2 20,-0.1 22,-0.1 0.028 64.1 112.2-113.5 27.8 59.7 11.6 18.0 13 12 A G S > S- 0 0 12 150,-0.5 4,-2.7 101,-0.1 5,-0.3 -0.119 95.7 -67.5 -75.7-168.5 62.1 14.6 18.1 14 13 A P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.857 137.3 51.8 -52.4 -44.9 65.6 14.1 19.8 15 14 A A H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.949 115.0 43.0 -58.8 -48.2 64.0 13.7 23.3 16 15 A G H > S+ 0 0 0 147,-0.4 4,-2.5 2,-0.2 5,-0.2 0.938 116.4 44.6 -62.4 -50.6 61.6 11.0 22.0 17 16 A S H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.911 116.2 45.6 -60.9 -49.0 64.0 9.0 19.9 18 17 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.869 112.6 51.7 -63.7 -41.0 66.8 9.0 22.5 19 18 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.939 113.7 44.2 -60.0 -44.7 64.3 8.1 25.2 20 19 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.946 113.4 49.5 -68.0 -47.8 63.0 5.2 23.1 21 20 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.885 115.0 45.3 -54.3 -42.8 66.5 4.0 22.1 22 21 A T H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.935 112.9 48.6 -71.6 -44.1 67.7 4.1 25.7 23 22 A L H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 -2,-0.2 0.860 112.2 50.7 -61.6 -37.6 64.5 2.3 27.1 24 23 A H H ><5S+ 0 0 71 -4,-2.6 3,-2.1 3,-0.2 -2,-0.2 0.951 108.8 49.7 -64.6 -48.1 64.9 -0.4 24.4 25 24 A K H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 107.9 55.8 -59.9 -31.5 68.6 -1.0 25.2 26 25 A L T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.458 126.0-106.6 -82.8 0.5 67.4 -1.2 28.9 27 26 A G T < 5S+ 0 0 42 -3,-2.1 -3,-0.2 1,-0.3 2,-0.2 0.645 72.6 136.2 92.4 19.7 65.0 -4.0 27.8 28 27 A H < - 0 0 10 -5,-2.8 2,-0.7 -8,-0.1 -1,-0.3 -0.490 59.3-108.1 -98.8 171.5 61.7 -2.2 27.9 29 28 A D E -a 6 0A 79 -24,-2.5 -22,-3.0 -2,-0.2 2,-0.4 -0.828 41.9-165.6-108.1 106.9 58.8 -2.2 25.5 30 29 A V E -a 7 0A 5 -2,-0.7 94,-1.6 -24,-0.2 2,-0.4 -0.758 19.5-179.1-107.8 136.1 58.6 1.2 23.6 31 30 A T E -ac 8 124A 14 -24,-2.3 -22,-2.5 -2,-0.4 2,-0.5 -0.993 12.1-160.4-123.5 130.4 56.0 2.9 21.5 32 31 A I E -ac 9 125A 0 92,-2.9 94,-3.0 -2,-0.4 2,-0.6 -0.933 1.5-165.2-112.5 122.9 56.6 6.4 19.9 33 32 A Y E +ac 10 126A 12 -24,-2.6 -22,-3.2 -2,-0.5 2,-0.4 -0.923 10.2 178.9-106.1 112.9 53.7 8.5 18.7 34 33 A E - 0 0 13 92,-2.6 95,-2.6 -2,-0.6 94,-0.1 -0.976 21.1-153.2-115.9 125.6 54.7 11.5 16.5 35 34 A R S S+ 0 0 170 -2,-0.4 2,-0.1 93,-0.3 -1,-0.1 0.751 74.0 64.0 -71.1 -23.3 52.0 13.8 15.1 36 35 A S S S- 0 0 38 93,-0.1 92,-2.5 92,-0.1 2,-0.4 -0.436 83.1-114.8 -96.8 173.8 54.0 14.8 12.0 37 36 A A - 0 0 43 90,-0.2 -2,-0.1 -2,-0.1 -1,-0.0 -0.902 51.8 -93.8 -99.9 135.0 55.3 13.0 9.0 38 37 A F S S+ 0 0 16 -2,-0.4 2,-0.1 -4,-0.1 71,-0.1 -0.775 101.7 50.2 -96.4 148.0 59.1 12.9 8.8 39 38 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.483 75.9 162.1 -76.6 149.8 61.1 14.6 7.5 40 39 A R - 0 0 46 68,-0.2 71,-0.1 -2,-0.1 72,-0.1 -0.993 42.0-102.7-137.0 141.9 59.7 17.9 8.9 41 40 A Y + 0 0 61 -2,-0.3 2,-0.3 67,-0.1 65,-0.0 -0.306 44.3 170.0 -63.2 139.3 61.5 21.3 9.1 42 41 A R - 0 0 80 -2,-0.1 65,-0.6 3,-0.0 66,-0.2 -0.970 26.9-137.2-156.0 133.4 62.8 22.3 12.6 43 42 A V + 0 0 17 -2,-0.3 63,-0.0 64,-0.1 0, 0.0 -0.515 67.6 86.9 -83.3 157.8 65.0 25.1 13.9 44 43 A G + 0 0 33 -2,-0.2 -1,-0.1 61,-0.1 264,-0.0 0.767 45.6 161.0 114.6 69.8 67.7 24.4 16.5 45 44 A E + 0 0 9 2,-0.1 60,-2.5 59,-0.1 2,-0.6 0.493 36.5 86.6-106.6 -10.3 70.7 23.3 14.5 46 45 A S B -F 104 0B 10 58,-0.2 262,-0.3 56,-0.0 58,-0.2 -0.864 57.4-165.8-109.4 119.2 73.9 23.5 16.5 47 46 A L - 0 0 2 56,-2.3 55,-0.1 -2,-0.6 -2,-0.1 -0.356 9.8-127.5-101.3 176.7 74.8 20.6 18.7 48 47 A L >> - 0 0 2 54,-0.1 4,-1.4 -2,-0.1 3,-1.0 -0.858 23.8-115.1-128.1 155.6 77.2 19.8 21.5 49 48 A P H 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 502,-0.2 0.836 112.2 63.7 -53.5 -37.0 79.9 17.1 22.3 50 49 A G H 3> S+ 0 0 18 500,-3.0 4,-1.2 1,-0.2 501,-0.1 0.820 103.2 47.7 -61.4 -33.7 77.8 15.8 25.2 51 50 A T H <> S+ 0 0 1 -3,-1.0 4,-2.5 499,-0.3 -1,-0.2 0.854 109.2 52.2 -76.7 -35.9 75.1 14.7 22.8 52 51 A M H X S+ 0 0 10 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.889 106.9 55.2 -64.2 -40.0 77.5 13.0 20.3 53 52 A S H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.903 109.7 46.4 -56.4 -41.9 78.9 11.1 23.3 54 53 A I H X S+ 0 0 11 -4,-1.2 4,-1.0 1,-0.2 -2,-0.2 0.946 112.7 47.7 -69.8 -47.9 75.3 9.9 24.0 55 54 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-0.3 0.854 110.7 53.3 -60.5 -35.0 74.6 8.9 20.5 56 55 A N H ><5S+ 0 0 42 -4,-2.4 3,-2.0 1,-0.2 5,-0.4 0.966 108.4 49.2 -66.2 -47.6 77.9 7.1 20.2 57 56 A R H 3<5S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.629 108.1 55.2 -65.9 -15.7 77.1 5.0 23.4 58 57 A L T 3<5S- 0 0 4 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.329 124.1-105.0 -98.1 1.4 73.7 4.2 21.9 59 58 A G T < 5S+ 0 0 54 -3,-2.0 3,-0.3 -5,-0.1 4,-0.3 0.590 85.2 119.7 95.0 17.3 75.5 2.8 18.7 60 59 A L >< + 0 0 1 -5,-2.5 4,-2.8 1,-0.2 5,-0.2 0.429 36.3 106.7 -96.1 2.6 74.9 5.5 16.2 61 60 A Q H > S+ 0 0 40 -5,-0.4 4,-2.7 -6,-0.3 -1,-0.2 0.843 81.4 44.9 -51.7 -45.9 78.5 6.4 15.4 62 61 A E H > S+ 0 0 174 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.946 113.7 48.7 -68.8 -48.5 78.7 4.8 11.9 63 62 A K H > S+ 0 0 71 -4,-0.3 4,-0.7 1,-0.2 -2,-0.2 0.907 115.0 47.2 -55.8 -40.9 75.3 6.2 10.7 64 63 A I H >X S+ 0 0 11 -4,-2.8 3,-1.4 2,-0.2 4,-0.6 0.935 108.7 51.6 -68.9 -47.0 76.3 9.6 12.0 65 64 A D H >< S+ 0 0 88 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.915 105.4 60.3 -53.8 -41.2 79.8 9.6 10.3 66 65 A A H 3< S+ 0 0 66 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.748 94.8 62.8 -52.4 -31.6 78.0 8.6 7.1 67 66 A Q H << S- 0 0 79 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.708 91.0-144.1 -76.6 -18.4 76.0 11.9 7.2 68 67 A N << - 0 0 142 -3,-1.4 -3,-0.1 -4,-0.6 -2,-0.1 0.922 25.2-169.7 54.0 49.9 79.0 14.2 6.8 69 68 A Y - 0 0 21 -5,-0.5 -1,-0.1 1,-0.1 36,-0.1 -0.395 35.2 -93.3 -68.3 145.9 77.6 16.8 9.1 70 69 A V E -G 104 0B 24 34,-0.6 34,-2.3 151,-0.4 2,-0.3 -0.410 48.2-121.2 -56.2 132.3 79.5 20.1 9.2 71 70 A K E -G 103 0B 100 32,-0.2 32,-0.3 -3,-0.1 -1,-0.1 -0.627 19.9-153.0 -84.0 136.1 82.0 19.9 12.1 72 71 A K E +G 102 0B 2 30,-3.0 30,-2.1 -2,-0.3 133,-0.1 -0.934 15.0 179.2-112.8 116.5 81.8 22.5 14.9 73 72 A P - 0 0 30 0, 0.0 17,-2.3 0, 0.0 2,-0.3 0.721 64.8 -35.5 -81.6 -24.6 85.0 23.2 16.8 74 73 A S E -H 89 0C 0 15,-0.2 132,-1.4 130,-0.2 2,-0.4 -0.909 61.2 -89.5-174.0-177.4 83.6 25.8 19.2 75 74 A A E -Hi 88 206C 6 13,-1.3 13,-3.2 -2,-0.3 2,-0.4 -1.000 33.3-154.8-125.1 133.7 81.3 28.7 19.7 76 75 A T E -Hi 87 207C 0 130,-2.7 132,-2.0 -2,-0.4 2,-0.4 -0.910 6.7-160.7-111.8 138.5 82.4 32.2 18.9 77 76 A F E -Hi 86 208C 0 9,-3.2 9,-2.1 -2,-0.4 2,-0.7 -0.952 19.0-166.8-122.8 127.3 80.9 35.3 20.5 78 77 A L E - i 0 209C 12 130,-3.2 132,-2.2 -2,-0.4 2,-0.7 -0.896 33.6-178.4-108.1 96.5 80.9 39.0 19.5 79 78 A W - 0 0 14 -2,-0.7 2,-0.2 5,-0.3 130,-0.1 -0.841 40.9 -15.1-121.7 98.6 79.7 40.2 22.8 80 79 A G S S- 0 0 3 -2,-0.7 3,-0.5 3,-0.1 2,-0.3 -0.411 94.9 -58.2 95.7 175.5 79.0 43.9 23.4 81 80 A Q S S+ 0 0 60 280,-0.2 3,-0.1 1,-0.2 -2,-0.1 -0.729 115.3 4.2 -98.3 146.0 80.3 46.8 21.3 82 81 A D S S+ 0 0 164 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.886 94.1 138.4 48.6 45.7 84.0 47.3 20.7 83 82 A Q - 0 0 61 -3,-0.5 -1,-0.2 327,-0.0 3,-0.1 -0.931 61.1-108.6-113.7 146.3 85.0 44.2 22.5 84 83 A A - 0 0 24 -2,-0.4 -5,-0.3 -3,-0.1 327,-0.1 -0.438 47.7-102.3 -56.7 144.6 87.6 41.7 21.3 85 84 A P - 0 0 4 0, 0.0 322,-2.6 0, 0.0 2,-0.3 -0.278 35.7-153.4 -60.6 152.6 85.9 38.5 20.1 86 85 A W E -HJ 77 406C 3 -9,-2.1 -9,-3.2 320,-0.2 2,-0.4 -0.994 4.5-157.7-131.7 150.7 85.9 35.4 22.4 87 86 A T E -H 76 0C 2 318,-2.1 2,-0.8 -2,-0.3 -11,-0.2 -0.986 11.6-147.9-127.4 133.3 85.7 31.7 21.6 88 87 A F E -H 75 0C 11 -13,-3.2 -13,-1.3 -2,-0.4 2,-0.1 -0.849 26.5-149.0 -97.0 101.2 84.6 28.7 23.7 89 88 A S E -H 74 0C 4 -2,-0.8 -15,-0.2 -15,-0.2 12,-0.1 -0.394 15.2-149.9 -73.5 142.3 86.7 25.7 22.5 90 89 A F + 0 0 0 -17,-2.3 462,-0.4 10,-0.2 -16,-0.1 0.445 50.6 141.8 -88.5 -0.7 85.3 22.2 22.6 91 90 A A + 0 0 61 -18,-0.3 10,-0.1 460,-0.1 8,-0.1 -0.089 19.0 147.1 -36.9 129.1 88.9 20.9 23.2 92 91 A A 0 0 31 1,-0.1 460,-0.0 460,-0.1 -2,-0.0 -0.838 360.0 360.0-171.5 137.1 89.0 18.0 25.6 93 92 A P 0 0 163 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.954 360.0 360.0 -61.6 360.0 91.1 14.7 26.3 94 ! 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 95 95 A A > 0 0 77 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.1 87.2 7.6 27.4 96 96 A P T 3 + 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.702 360.0 52.2 -52.7 -30.2 86.2 6.6 23.7 97 97 A W T 3 S+ 0 0 59 2,-0.1 2,-0.6 -41,-0.0 -41,-0.1 0.367 80.1 111.7 -92.9 -0.8 82.9 8.5 23.9 98 98 A V < - 0 0 52 -3,-1.7 2,-0.3 -5,-0.1 -6,-0.1 -0.689 57.9-153.2 -78.0 120.6 84.5 11.8 25.0 99 99 A F - 0 0 28 -2,-0.6 453,-0.4 453,-0.1 -2,-0.1 -0.736 26.2-167.9-106.3 149.2 84.1 14.3 22.1 100 100 A D S S+ 0 0 84 -2,-0.3 2,-0.3 451,-0.1 -10,-0.2 0.267 79.4 19.3-112.2 -1.8 86.3 17.3 21.2 101 101 A H - 0 0 33 -12,-0.1 2,-0.2 -52,-0.1 -49,-0.2 -0.923 61.1-157.4-153.3 172.8 83.8 18.7 18.7 102 102 A A E - G 0 72B 0 -30,-2.1 -30,-3.0 -2,-0.3 2,-0.3 -0.669 22.0-116.1-137.3-153.4 80.2 18.5 17.7 103 103 A V E - G 0 71B 3 -32,-0.3 -56,-2.3 -2,-0.2 2,-0.4 -0.896 8.1-121.9-144.8 170.0 78.3 19.2 14.5 104 104 A Q E -FG 46 70B 1 -34,-2.3 -34,-0.6 -2,-0.3 2,-0.3 -0.915 38.0-173.1-113.3 142.4 75.7 21.4 12.9 105 105 A V - 0 0 1 -60,-2.5 2,-0.7 -2,-0.4 -61,-0.1 -0.937 37.7-118.3-136.7 160.0 72.7 19.7 11.3 106 106 A K >> - 0 0 51 -2,-0.3 4,-2.5 1,-0.1 3,-1.2 -0.902 35.8-147.7 -88.8 113.0 69.6 20.2 9.3 107 107 A R H 3> S+ 0 0 14 -2,-0.7 4,-2.9 -65,-0.6 5,-0.4 0.804 92.1 61.7 -62.3 -34.3 67.1 19.1 11.9 108 108 A E H 3> S+ 0 0 51 -66,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.859 114.1 37.8 -57.9 -32.1 64.6 17.5 9.5 109 109 A E H <> S+ 0 0 95 -3,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.925 117.8 47.0 -88.1 -45.5 67.4 15.1 8.5 110 110 A F H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 5,-0.2 0.916 112.7 48.9 -60.5 -48.7 68.9 14.5 11.9 111 111 A D H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.898 111.8 50.4 -61.3 -36.8 65.6 14.0 13.7 112 112 A K H X S+ 0 0 70 -4,-0.8 4,-2.2 -5,-0.4 -1,-0.2 0.813 105.2 56.9 -72.5 -28.7 64.6 11.5 11.0 113 113 A L H X S+ 0 0 15 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.922 109.1 45.6 -67.6 -45.0 67.8 9.6 11.3 114 114 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.894 113.6 49.0 -60.9 -43.5 67.3 8.9 15.0 115 115 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.899 111.1 48.4 -69.5 -41.7 63.7 7.9 14.5 116 116 A D H X S+ 0 0 41 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.859 108.4 55.5 -64.7 -39.2 64.5 5.5 11.7 117 117 A E H X S+ 0 0 26 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.960 105.9 51.6 -55.7 -45.3 67.2 4.1 13.9 118 118 A A H ><>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 3,-1.3 0.927 109.3 50.5 -56.2 -48.0 64.5 3.5 16.5 119 119 A R H ><5S+ 0 0 103 -4,-2.1 3,-2.5 1,-0.3 -1,-0.2 0.919 104.8 57.3 -51.2 -53.0 62.4 1.6 13.9 120 120 A S H 3<5S+ 0 0 95 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.601 101.3 56.8 -57.9 -17.9 65.3 -0.6 12.9 121 121 A R T <<5S- 0 0 64 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.413 124.8-101.8 -97.9 3.8 65.6 -1.8 16.4 122 122 A G T < 5S+ 0 0 63 -3,-2.5 2,-0.3 1,-0.3 -3,-0.2 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-0.928 8.9-161.8-103.9 134.0 67.6 37.3 15.2 231 231 A V E +LO 187 215C 2 -16,-3.2 -16,-1.9 -2,-0.5 -44,-0.2 -0.961 28.0 156.8-113.5 116.5 66.8 36.9 18.9 232 232 A V E -L 186 0C 0 -46,-2.7 -46,-2.6 -2,-0.6 2,-0.1 -0.639 45.1 -77.5-131.4 178.9 64.8 39.9 20.1 233 233 A D E > -L 185 0C 2 -20,-0.5 3,-2.1 -48,-0.2 -48,-0.2 -0.491 38.8-115.7 -85.4 157.1 62.4 40.7 22.9 234 234 A R G > S+ 0 0 66 -50,-1.6 3,-2.1 1,-0.3 4,-0.3 0.722 109.3 79.0 -67.1 -17.8 58.7 39.6 22.6 235 235 A S G 3 S+ 0 0 41 1,-0.3 3,-0.4 -51,-0.2 4,-0.3 0.590 82.0 67.1 -60.8 -11.6 57.8 43.4 22.5 236 236 A K G <> S+ 0 0 33 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.434 74.1 91.8 -86.3 -2.1 58.8 43.2 18.9 237 237 A S H <> S+ 0 0 36 -3,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.920 81.9 53.9 -57.4 -46.0 55.9 40.9 18.1 238 238 A A H > S+ 0 0 68 -3,-0.4 4,-2.9 -4,-0.3 -1,-0.2 0.875 106.5 51.1 -58.6 -42.6 53.7 43.9 17.3 239 239 A E H > S+ 0 0 76 -4,-0.3 4,-3.8 1,-0.2 5,-0.4 0.949 112.2 45.5 -63.6 -50.6 56.1 45.3 14.7 240 240 A V H X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.888 113.4 51.0 -56.6 -44.5 56.4 41.9 12.9 241 241 A R H < S+ 0 0 231 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.962 119.8 36.7 -54.3 -51.7 52.6 41.6 13.1 242 242 A E H < S+ 0 0 177 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.923 128.9 28.6 -72.0 -48.9 52.2 45.0 11.6 243 243 A Q H < S- 0 0 87 -4,-3.8 4,-0.4 -5,-0.2 -3,-0.2 0.481 109.8-107.4-100.2 -3.1 55.0 45.3 9.1 244 244 A G X - 0 0 31 -4,-1.8 4,-2.3 -5,-0.4 3,-0.2 0.366 25.3 -96.1 83.2 141.5 55.5 41.6 8.1 245 245 A A H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.827 119.1 57.6 -59.3 -34.1 58.4 39.2 9.0 246 246 A D H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 110.4 40.7 -66.2 -47.5 60.3 39.9 5.8 247 247 A A H > S+ 0 0 50 -4,-0.4 4,-2.1 -3,-0.2 5,-0.3 0.910 116.4 50.5 -67.9 -44.5 60.6 43.6 6.3 248 248 A F H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.904 110.3 51.7 -58.0 -38.9 61.3 43.2 10.0 249 249 A Y H X S+ 0 0 1 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.947 112.9 40.4 -66.8 -52.8 64.0 40.6 9.3 250 250 A S H X S+ 0 0 62 -4,-2.0 4,-1.7 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-79,-0.1 0, 0.0 0, 0.0 -0.971 84.1 -86.4-156.0 167.0 64.7 30.7 2.0 271 271 A E - 0 0 115 -2,-0.3 2,-0.4 -81,-0.1 -80,-0.3 -0.199 48.0-108.2 -64.9 169.4 61.6 32.3 3.5 272 272 A V - 0 0 13 -82,-0.1 2,-0.3 -84,-0.0 -82,-0.2 -0.889 33.3-165.8-107.0 140.0 61.8 33.8 7.0 273 273 A R E -K 189 0C 52 -84,-2.2 -84,-2.0 -2,-0.4 2,-0.3 -0.755 0.5-159.0-117.7 161.9 60.1 32.1 9.9 274 274 A I E +K 188 0C 79 -2,-0.3 2,-0.3 -86,-0.2 -86,-0.2 -0.963 11.9 169.0-137.0 159.3 59.3 33.3 13.4 275 275 A V E -K 187 0C 55 -88,-2.0 -88,-3.1 -2,-0.3 2,-0.6 -0.919 36.5-115.2-164.2 147.3 58.5 31.9 16.8 276 276 A Q E +K 186 0C 82 -2,-0.3 2,-0.3 -90,-0.2 -90,-0.2 -0.762 31.9 179.0 -76.1 120.1 58.1 32.8 20.4 277 277 A D E +K 185 0C 33 -92,-2.5 -92,-0.7 -2,-0.6 2,-0.3 -0.628 10.9 169.8-123.4 68.4 60.9 31.0 22.4 278 278 A W E -K 184 0C 59 -2,-0.3 -94,-0.2 -94,-0.2 2,-0.1 -0.637 35.8-115.4 -76.9 143.4 60.4 32.1 26.0 279 279 A S E + 0 0 3 -96,-2.4 -99,-2.6 -2,-0.3 2,-0.3 -0.433 48.3 150.0 -65.3 146.1 62.3 30.5 28.8 280 280 A Y E -KP 179 299C 5 19,-1.2 19,-2.3 -101,-0.3 -101,-0.3 -0.911 24.3-163.6-165.8 152.8 60.2 28.5 31.3 281 281 A D E -K 178 0C 18 -103,-1.8 -103,-2.8 -2,-0.3 2,-0.3 -0.466 25.9-108.2-118.9-153.0 60.6 25.4 33.6 282 282 A T E -K 177 0C 0 -105,-0.3 -105,-0.2 -2,-0.2 3,-0.2 -0.963 9.6-133.6-136.5 152.6 57.9 23.3 35.4 283 283 A E S S+ 0 0 119 -107,-2.2 2,-0.4 -2,-0.3 -106,-0.1 0.833 105.0 33.6 -66.8 -32.6 56.8 22.9 39.0 284 284 A V + 0 0 40 -108,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.969 55.2 179.1-132.7 113.7 57.0 19.1 38.3 285 285 A F S S- 0 0 0 -2,-0.4 7,-2.6 1,-0.4 2,-0.3 0.770 80.3 -15.8 -86.0 -23.3 59.5 17.4 35.9 286 286 A S E +E 291 0A 3 5,-0.2 -1,-0.4 50,-0.1 2,-0.3 -0.940 64.5 163.1-170.5 154.8 58.1 13.9 36.7 287 287 A A E > -E 290 0A 26 3,-1.6 3,-2.6 -2,-0.3 46,-0.0 -0.945 60.3 -10.6-164.7 159.6 55.8 12.2 39.2 288 288 A D T 3 S- 0 0 98 -2,-0.3 48,-0.0 1,-0.3 -152,-0.0 -0.142 130.4 -14.1 51.6-114.5 53.9 8.9 39.5 289 289 A R T 3 S+ 0 0 70 -148,-0.1 -129,-2.3 -153,-0.1 2,-0.3 0.193 119.5 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-19,-1.2 -2,-0.3 2,-0.4 -0.992 14.1-159.2-133.4 131.7 63.2 25.7 27.6 300 300 A T - 0 0 6 -2,-0.4 7,-0.1 -21,-0.2 6,-0.1 -0.918 36.2 -95.8-115.5 135.7 66.6 27.5 27.8 301 301 A D > - 0 0 0 -2,-0.4 3,-0.8 1,-0.2 5,-0.3 -0.332 39.0-130.5 -44.9 120.9 67.6 30.6 25.9 302 302 A P G > S+ 0 0 41 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.243 76.9 112.7 -73.6 11.9 69.5 29.1 22.9 303 303 A L G 3 S+ 0 0 3 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.877 88.9 33.9 -50.3 -44.8 72.5 31.4 23.3 304 304 A F G < S- 0 0 3 -3,-0.8 -1,-0.3 244,-0.1 244,-0.1 0.136 109.6-120.4 -99.9 18.7 74.7 28.4 24.3 305 305 A S < + 0 0 23 -3,-1.8 4,-0.3 1,-0.1 3,-0.1 0.882 64.8 141.9 51.0 44.7 72.9 25.8 22.1 306 306 A Q > + 0 0 8 -5,-0.3 4,-2.8 1,-0.1 5,-0.3 0.445 38.1 93.1 -90.6 -7.7 71.9 23.7 25.1 307 307 A G H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.930 88.9 37.4 -65.7 -54.8 68.5 22.6 23.9 308 308 A V H > S+ 0 0 13 -262,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.857 116.1 56.4 -64.4 -36.0 69.1 19.3 22.0 309 309 A H H > S+ 0 0 12 -4,-0.3 4,-2.9 2,-0.2 5,-0.2 0.937 109.1 43.9 -59.7 -48.3 71.7 18.4 24.7 310 310 A L H X S+ 0 0 10 -4,-2.8 4,-2.3 2,-0.2 -16,-0.5 0.891 111.9 54.1 -69.0 -32.8 69.2 18.8 27.5 311 311 A A H X S+ 0 0 8 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.932 114.2 42.4 -60.8 -42.1 66.5 16.9 25.5 312 312 A S H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.921 116.0 46.8 -71.6 -46.0 69.1 14.0 25.1 313 313 A Q H X S+ 0 0 59 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.896 114.7 44.9 -65.9 -42.4 70.4 14.0 28.6 314 314 A S H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.849 111.1 55.5 -71.9 -32.8 67.0 14.2 30.2 315 315 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.949 109.7 45.7 -64.1 -45.3 65.7 11.5 27.8 316 316 A V H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.898 115.3 48.1 -61.9 -41.2 68.5 9.2 28.9 317 317 A S H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.853 110.0 50.0 -68.9 -37.5 67.8 10.0 32.5 318 318 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.901 111.0 50.9 -69.7 -39.7 64.1 9.4 32.2 319 319 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 113.0 44.4 -55.9 -52.2 64.8 6.1 30.6 320 320 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 144,-0.5 0.865 113.2 53.0 -64.1 -36.6 67.2 5.0 33.4 321 321 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.913 108.6 47.8 -64.4 -46.6 64.7 6.3 35.9 322 322 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.924 112.4 51.3 -61.5 -42.5 61.8 4.3 34.5 323 323 A D H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.932 110.2 48.3 -58.6 -46.2 64.1 1.2 34.5 324 324 A R H X S+ 0 0 25 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.889 112.6 46.8 -63.6 -41.4 65.1 1.6 38.1 325 325 A I H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 109.2 55.7 -69.4 -35.5 61.5 2.1 39.3 326 326 A T H < S+ 0 0 23 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.881 116.6 35.3 -62.1 -40.2 60.3 -0.9 37.3 327 327 A R H < S+ 0 0 40 -4,-1.7 2,-0.2 1,-0.2 -1,-0.2 0.640 131.6 30.7 -90.5 -19.9 62.9 -3.2 39.0 328 328 A H >< + 0 0 37 -4,-1.7 3,-1.9 -5,-0.2 -1,-0.2 -0.689 65.1 174.3-142.1 82.6 62.8 -1.6 42.4 329 329 A G G > S+ 0 0 53 -3,-0.3 3,-1.0 1,-0.3 4,-0.2 0.663 74.9 67.3 -72.8 -18.8 59.3 -0.2 43.0 330 330 A D G 3 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.574 94.3 60.4 -68.2 -15.2 60.1 0.9 46.6 331 331 A E G <> S+ 0 0 22 -3,-1.9 4,-2.6 -7,-0.2 5,-0.3 0.293 71.1 113.8 -96.2 7.1 62.5 3.5 45.3 332 332 A K H <> S+ 0 0 69 -3,-1.0 4,-2.0 1,-0.2 5,-0.2 0.870 77.7 41.8 -45.9 -53.4 59.8 5.3 43.3 333 333 A D H > S+ 0 0 127 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.907 114.6 50.0 -65.3 -45.6 59.8 8.5 45.4 334 334 A A H > S+ 0 0 50 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.868 110.9 50.4 -62.5 -38.1 63.6 8.7 45.6 335 335 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.901 112.1 45.8 -71.7 -41.2 64.0 8.2 41.8 336 336 A H H X S+ 0 0 11 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.901 111.3 53.2 -66.3 -40.8 61.5 10.9 40.9 337 337 A A H X S+ 0 0 60 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.880 110.1 49.1 -61.3 -36.7 63.1 13.2 43.5 338 338 A W H X S+ 0 0 22 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.914 111.0 48.1 -66.9 -44.8 66.4 12.6 41.8 339 339 A Y H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.934 115.6 45.8 -61.8 -41.8 65.0 13.3 38.3 340 340 A N H X S+ 0 0 20 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.940 114.5 46.0 -67.4 -47.8 63.4 16.5 39.5 341 341 A R H X S+ 0 0 70 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.927 113.3 49.7 -59.3 -45.9 66.4 17.8 41.4 342 342 A T H X S+ 0 0 38 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.903 114.6 42.1 -66.0 -44.5 68.8 17.0 38.6 343 343 A Y H X S+ 0 0 7 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.893 115.2 51.2 -68.4 -40.1 66.7 18.7 35.8 344 344 A R H X S+ 0 0 79 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.922 109.3 49.6 -63.4 -45.2 65.9 21.7 38.0 345 345 A E H X S+ 0 0 87 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.862 110.6 50.2 -65.5 -38.7 69.5 22.3 39.0 346 346 A A H X S+ 0 0 24 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.933 114.9 44.9 -61.0 -43.7 70.6 22.1 35.3 347 347 A Y H X S+ 0 0 12 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.942 113.6 47.8 -67.0 -51.3 67.9 24.7 34.3 348 348 A E H X S+ 0 0 108 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.820 113.2 47.2 -63.8 -31.9 68.5 27.1 37.2 349 349 A Q H X S+ 0 0 114 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.810 108.6 52.3 -89.2 -26.6 72.3 27.2 36.8 350 350 A Y H X S+ 0 0 9 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.893 112.2 50.3 -63.9 -37.5 72.2 27.7 33.0 351 351 A H H X S+ 0 0 52 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.920 109.3 48.6 -66.7 -49.5 69.8 30.6 33.9 352 352 A Q H X S+ 0 0 89 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.866 113.9 48.0 -56.2 -38.2 72.1 32.2 36.5 353 353 A F H >X S+ 0 0 9 -4,-1.5 4,-1.9 1,-0.2 3,-0.6 0.952 108.1 53.5 -71.5 -50.6 75.0 31.9 34.1 354 354 A L H 3X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.845 101.9 59.6 -47.1 -42.2 73.0 33.5 31.3 355 355 A A H 3X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 21,-0.4 0.894 104.4 51.3 -60.8 -42.2 72.2 36.4 33.5 356 356 A S H < S+ 0 0 8 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.899 110.9 45.2 -64.9 -41.6 78.2 42.0 30.4 361 361 A A H >X S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 4,-1.2 0.797 101.6 68.3 -69.6 -26.8 76.8 42.9 27.1 362 362 A S H 3< S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.732 87.6 67.4 -67.9 -21.2 74.5 45.4 28.7 363 363 A F T << S+ 0 0 45 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.781 115.5 25.9 -68.0 -26.8 77.4 47.6 29.6 364 364 A T T <4 S+ 0 0 42 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.446 109.5 80.0-119.3 0.2 78.1 48.4 26.0 365 365 A E S < S- 0 0 15 -4,-1.2 -153,-0.1 1,-0.1 -152,-0.0 -0.763 88.5 -95.6-103.2 156.8 74.7 47.9 24.4 366 366 A P - 0 0 53 0, 0.0 2,-1.8 0, 0.0 5,-0.2 -0.031 40.7 -95.8 -66.7 169.9 72.0 50.6 24.6 367 367 A D + 0 0 100 4,-0.1 2,-0.1 3,-0.1 -155,-0.0 -0.443 68.5 151.3 -88.6 64.8 69.3 50.7 27.2 368 368 A S > - 0 0 14 -2,-1.8 4,-2.4 -156,-0.3 5,-0.2 -0.447 63.2-103.9 -82.7 162.0 66.7 48.9 25.0 369 369 A E H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 120.1 60.4 -55.4 -34.8 63.8 46.8 26.4 370 370 A F H > S+ 0 0 4 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.965 112.2 34.3 -54.5 -59.1 65.8 43.7 25.3 371 371 A W H > S+ 0 0 0 -159,-0.4 4,-2.3 -5,-0.2 -2,-0.2 0.863 116.9 55.2 -68.2 -36.0 68.9 44.4 27.5 372 372 A R H < S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.815 107.2 48.8 -68.2 -38.8 66.9 46.0 30.3 373 373 A K H < S+ 0 0 57 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.844 120.6 36.9 -68.6 -30.4 64.7 42.9 30.8 374 374 A R H < S+ 0 0 1 -4,-1.1 -15,-0.3 -5,-0.2 -2,-0.2 0.709 92.4 91.7-102.0 -20.7 67.7 40.6 30.8 375 375 A R S < S- 0 0 49 -4,-2.3 -19,-0.1 -17,-0.2 -20,-0.1 -0.386 92.8 -81.6 -77.1 154.5 70.5 42.4 32.6 376 376 A I - 0 0 48 -21,-0.4 2,-0.5 -20,-0.1 -1,-0.1 -0.291 41.5-132.0 -61.0 138.4 70.8 41.8 36.3 377 377 A T + 0 0 127 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.805 50.1 125.5 -93.0 125.1 68.5 44.0 38.5 378 378 A E - 0 0 51 -2,-0.5 5,-0.1 0, 0.0 0, 0.0 -0.966 59.6 -53.9-172.2 166.2 70.3 45.7 41.4 379 379 A S > - 0 0 60 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.048 49.1-112.5 -53.8 148.8 71.0 49.2 43.1 380 380 A D H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.889 122.3 48.5 -42.7 -43.3 72.4 52.1 41.0 381 381 A D H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.873 106.4 51.5 -74.6 -41.2 75.5 51.6 43.2 382 382 A D H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.829 113.3 50.2 -57.3 -34.6 75.9 47.8 42.8 383 383 A R H X S+ 0 0 49 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.847 109.6 45.5 -78.6 -41.3 75.7 48.4 39.1 384 384 A L H >< S+ 0 0 106 -4,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.939 113.7 51.0 -65.7 -48.6 78.4 51.2 38.9 385 385 A T H 3< S+ 0 0 106 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.951 100.6 65.8 -45.7 -50.3 80.6 49.0 41.1 386 386 A R H >< S+ 0 0 68 -4,-2.0 2,-1.6 1,-0.3 3,-1.3 0.769 77.7 80.9 -55.8 -26.8 79.8 46.2 38.5 387 387 A K T << + 0 0 143 -3,-1.0 -1,-0.3 -4,-0.8 -3,-0.1 -0.360 55.2 103.4 -70.4 48.1 81.8 48.3 36.0 388 388 A K T > S+ 0 0 85 -2,-1.6 3,-0.7 2,-0.1 -1,-0.3 0.038 70.5 73.5 -77.9 -9.7 84.5 46.6 37.8 389 389 A W G X + 0 0 45 -3,-1.3 3,-1.1 1,-0.2 -2,-0.2 0.865 69.5 80.2 -74.1 -35.3 83.8 45.1 34.4 390 390 A F G 3 S+ 0 0 50 1,-0.3 -1,-0.2 2,-0.1 -3,-0.1 0.571 98.3 45.6 -45.0 -12.9 85.5 48.0 32.5 391 391 A E G < 0 0 135 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.1 -0.287 360.0 360.0-142.1 50.2 88.8 46.4 33.3 392 392 A S < 0 0 78 -3,-1.1 -1,-0.1 11,-0.0 -2,-0.1 -0.006 360.0 360.0 -91.8 360.0 89.0 42.7 32.7 393 ! 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 0.0 394 408 A F 0 0 12 0, 0.0 4,-0.1 0, 0.0 -38,-0.1 0.000 360.0 360.0 360.0 -48.6 78.3 32.0 37.6 395 409 A R > + 0 0 21 2,-0.2 4,-0.6 3,-0.2 -42,-0.0 0.583 360.0 36.9-111.3 -23.1 79.3 35.7 36.8 396 410 A D H > S+ 0 0 91 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.636 116.4 58.5 -87.5 -29.2 82.9 35.4 37.8 397 411 A R H > S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.855 112.0 38.5 -61.7 -31.8 82.4 32.0 36.2 398 412 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.779 111.1 57.1 -90.0 -34.0 81.4 33.8 33.1 399 413 A S H X S+ 0 0 19 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.865 107.7 52.0 -60.2 -34.5 84.0 36.4 33.5 400 414 A T H X S+ 0 0 28 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.962 107.4 48.9 -67.7 -54.3 86.4 33.5 33.5 401 415 A M H X S+ 0 0 8 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.882 111.5 50.1 -52.0 -46.8 85.2 31.9 30.3 402 416 A I H X S+ 0 0 21 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.900 111.4 47.9 -63.7 -47.6 85.3 35.2 28.4 403 417 A A H >< S+ 0 0 39 -4,-2.0 3,-1.1 2,-0.2 -1,-0.2 0.934 112.8 47.7 -57.9 -52.0 88.9 36.0 29.6 404 418 A I H 3< S+ 0 0 25 -4,-2.7 21,-0.3 1,-0.2 20,-0.2 0.932 117.1 44.0 -56.4 -43.0 90.2 32.5 28.7 405 419 A G H 3< S+ 0 0 2 -4,-2.5 -318,-2.1 -5,-0.2 -1,-0.2 0.456 83.0 129.1 -85.4 3.0 88.5 32.7 25.3 406 420 A R B << -J 86 0C 59 -3,-1.1 -320,-0.2 -4,-0.5 18,-0.1 -0.367 58.6-127.8 -63.7 123.2 89.5 36.2 24.5 407 421 A H - 0 0 4 -322,-2.6 -1,-0.1 -2,-0.2 -323,-0.1 -0.382 19.2-123.0 -63.4 151.7 91.1 36.6 21.0 408 422 A Q S S+ 0 0 120 -2,-0.1 -1,-0.1 -324,-0.0 -2,-0.1 0.024 89.5 54.4 -95.8 29.5 94.5 38.4 21.2 409 423 A R S S- 0 0 49 -324,-0.2 -2,-0.1 2,-0.1 4,-0.1 -0.951 89.9-109.9-150.9 164.2 93.6 41.2 18.8 410 424 A P S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.684 94.1 42.5 -72.8 -22.5 90.7 43.7 18.7 411 425 A E S S- 0 0 108 -327,-0.1 2,-0.4 -329,-0.0 -2,-0.1 -0.786 90.5 -90.8-130.1 166.3 88.8 42.2 15.7 412 426 A L + 0 0 36 -2,-0.3 2,-0.3 2,-0.0 -334,-0.0 -0.631 55.5 153.2 -85.5 129.0 87.8 38.9 14.3 413 427 A S > - 0 0 21 -2,-0.4 3,-1.9 -4,-0.1 -211,-0.1 -0.985 59.3-113.3-154.8 157.5 90.3 37.4 11.8 414 428 A D T 3 S+ 0 0 54 -2,-0.3 -213,-0.2 1,-0.3 -212,-0.1 0.494 104.7 85.2 -75.3 -2.1 91.6 34.1 10.4 415 429 A D T 3 + 0 0 121 -215,-0.1 -1,-0.3 -214,-0.0 2,-0.1 0.732 69.8 109.8 -60.1 -24.3 94.7 35.0 12.3 416 430 A F < + 0 0 3 -3,-1.9 -215,-0.8 3,-0.0 -214,-0.4 -0.349 42.6 173.3 -65.4 130.1 93.0 33.3 15.2 417 431 A S > - 0 0 49 -217,-0.1 3,-1.4 -216,-0.1 4,-0.3 -0.979 38.8-126.5-128.2 149.0 94.2 29.9 16.4 418 432 A E G > S+ 0 0 38 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.772 107.7 68.4 -65.0 -23.3 93.0 28.1 19.6 419 433 A A G > S+ 0 0 60 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.795 84.6 68.7 -66.2 -26.2 96.5 27.9 20.8 420 434 A E G < S+ 0 0 28 -3,-1.4 4,-0.3 1,-0.3 -1,-0.3 0.676 95.8 58.4 -65.5 -11.2 96.6 31.7 21.3 421 435 A L G <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.3 -1,-0.3 0.587 82.3 87.9 -88.7 -14.8 94.1 31.0 24.1 422 436 A N H <> S+ 0 0 82 -3,-1.7 4,-2.4 -4,-0.2 5,-0.2 0.811 81.5 54.6 -59.6 -34.3 96.5 28.7 26.0 423 437 A P H > S+ 0 0 86 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.943 109.0 46.1 -68.8 -42.4 98.2 31.3 28.0 424 438 A A H > S+ 0 0 31 -4,-0.3 4,-1.9 -20,-0.2 -2,-0.2 0.909 114.1 51.4 -66.2 -36.0 95.1 32.7 29.5 425 439 A R H X S+ 0 0 62 -4,-2.0 4,-2.2 -21,-0.3 -1,-0.2 0.957 112.9 43.6 -56.6 -51.7 93.9 29.2 30.2 426 440 A V H X S+ 0 0 81 -4,-2.4 4,-3.1 1,-0.3 5,-0.2 0.883 109.2 57.0 -68.1 -37.1 97.1 28.3 31.9 427 441 A R H X S+ 0 0 167 -4,-2.8 4,-1.9 2,-0.2 -1,-0.3 0.855 106.5 50.7 -60.7 -36.9 97.2 31.5 33.8 428 442 A W H X S+ 0 0 69 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.936 110.6 48.7 -66.7 -44.5 93.8 30.6 35.2 429 443 A I H X S+ 0 0 81 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.923 110.6 50.4 -59.7 -44.8 95.1 27.2 36.3 430 444 A S H X S+ 0 0 64 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.873 110.8 50.3 -63.5 -33.9 98.1 28.8 37.9 431 445 A D H X S+ 0 0 63 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.929 111.8 46.8 -69.2 -40.6 95.8 31.2 39.8 432 446 A L H X S+ 0 0 22 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.917 113.3 49.3 -62.5 -45.4 93.7 28.3 40.9 433 447 A T H X S+ 0 0 71 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.902 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