==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-MAY-04 1WG8 . COMPND 2 MOLECULE: PREDICTED S-ADENOSYLMETHIONINE-DEPENDENT . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.KISHISHITA,K.MURAYAMA,M.SHIROUZU,S.YOKOYAMA,RIKEN . 563 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 36 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 4 4 2 0 2 5 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 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 4 A M 0 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -4.6 34.1 79.6 10.5 2 5 A T - 0 0 130 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.238 360.0-136.4-155.6 -45.1 37.3 81.1 11.9 3 6 A H - 0 0 102 2,-0.1 3,-0.1 262,-0.0 263,-0.0 0.915 9.5-123.7 72.9 101.7 39.8 78.2 11.7 4 7 A V - 0 0 92 1,-0.1 3,-0.1 258,-0.1 29,-0.1 -0.463 44.3 -91.6 -67.8 138.3 42.2 77.6 14.6 5 8 A P > - 0 0 23 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.196 56.7 -88.8 -51.6 144.8 45.8 77.7 13.5 6 9 A V T 3 S- 0 0 0 1,-0.3 5,-0.1 2,-0.1 223,-0.0 -0.338 104.2 -8.0 -60.1 133.7 47.0 74.2 12.5 7 10 A L T 3> S+ 0 0 1 -3,-0.1 4,-2.9 3,-0.1 5,-0.3 0.843 84.3 167.3 45.1 45.2 48.4 72.2 15.4 8 11 A Y H <> + 0 0 44 -3,-1.3 4,-2.4 1,-0.2 5,-0.2 0.917 69.0 38.2 -52.4 -58.2 48.2 75.3 17.6 9 12 A Q H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 117.4 51.4 -65.8 -38.2 48.8 73.7 21.1 10 13 A E H > S+ 0 0 73 2,-0.2 4,-2.1 3,-0.2 -2,-0.2 0.935 112.3 45.4 -64.5 -47.7 51.3 71.2 19.8 11 14 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.963 116.0 45.8 -60.6 -53.8 53.4 73.9 18.0 12 15 A L H X>S+ 0 0 1 -4,-2.4 4,-1.0 -5,-0.3 5,-0.8 0.879 111.4 51.2 -59.1 -41.9 53.3 76.3 21.0 13 16 A D H ><5S+ 0 0 99 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.928 110.6 49.9 -62.0 -42.5 54.2 73.6 23.5 14 17 A L H 3<5S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.809 105.5 56.8 -65.6 -30.8 57.2 72.5 21.4 15 18 A L H 3<5S- 0 0 2 -4,-1.8 210,-0.3 -5,-0.2 -1,-0.3 0.738 94.4-152.0 -72.3 -21.7 58.3 76.2 21.2 16 19 A A T <<5 - 0 0 52 -4,-1.0 -3,-0.1 -3,-0.7 -2,-0.1 0.940 16.5-154.2 49.1 56.2 58.3 76.1 25.0 17 20 A V < - 0 0 25 -5,-0.8 -1,-0.1 25,-0.0 -2,-0.0 -0.293 14.4-171.3 -62.1 140.7 57.6 79.9 25.2 18 21 A R > - 0 0 135 23,-0.0 3,-2.6 -2,-0.0 23,-0.1 -0.999 35.3 -93.5-134.2 138.0 58.8 81.7 28.4 19 22 A P T 3 S+ 0 0 101 0, 0.0 23,-0.2 0, 0.0 22,-0.1 -0.191 113.1 23.6 -50.3 136.3 58.0 85.3 29.3 20 23 A G T 3 S+ 0 0 57 21,-2.2 22,-0.1 1,-0.3 21,-0.1 0.158 94.5 126.4 93.0 -19.3 60.7 87.7 28.1 21 24 A G < - 0 0 0 -3,-2.6 22,-3.3 1,-0.1 2,-0.5 -0.292 57.0-130.6 -71.0 158.2 61.8 85.3 25.3 22 25 A V E -a 43 0A 17 20,-0.2 66,-2.3 -3,-0.1 67,-0.9 -0.949 26.3-172.9-114.5 124.1 62.0 86.4 21.7 23 26 A Y E -ab 44 89A 2 20,-2.9 22,-2.8 -2,-0.5 2,-0.5 -0.899 18.1-140.6-120.3 145.9 60.4 84.2 19.1 24 27 A V E -ab 45 90A 1 65,-2.6 67,-2.9 -2,-0.4 2,-0.8 -0.904 6.8-167.4-104.6 125.8 60.5 84.2 15.3 25 28 A D E > -ab 46 91A 0 20,-2.5 22,-2.3 -2,-0.5 3,-0.6 -0.922 10.3-172.3-109.1 96.3 57.2 83.4 13.5 26 29 A A T 3 S+ 0 0 2 65,-2.8 46,-0.2 -2,-0.8 66,-0.2 0.580 79.6 39.5 -70.0 -8.9 58.7 83.0 10.1 27 30 A T T 3 S+ 0 0 0 64,-0.4 -1,-0.3 1,-0.1 21,-0.2 -0.528 71.8 172.6-139.4 64.0 55.3 82.6 8.4 28 31 A L X + 0 0 0 19,-2.5 3,-2.7 -3,-0.6 4,-0.4 0.820 14.0 156.4 -46.0 -48.6 53.2 85.2 10.2 29 32 A G T 3 S- 0 0 1 1,-0.3 28,-0.2 18,-0.2 -1,-0.2 -0.335 79.6 -12.9 58.0-122.0 50.1 85.0 8.0 30 33 A G T 3 S- 0 0 22 -2,-0.1 -1,-0.3 26,-0.1 -2,-0.1 0.290 97.5-112.4 -93.6 8.9 47.0 86.1 10.0 31 34 A A S <> S+ 0 0 0 -3,-2.7 4,-2.4 -4,-0.1 5,-0.2 0.715 70.6 142.2 69.1 24.5 49.1 85.9 13.2 32 35 A G H > S+ 0 0 15 -4,-0.4 4,-1.0 2,-0.2 -3,-0.1 0.958 78.3 33.5 -60.4 -52.3 47.2 82.9 14.6 33 36 A H H > S+ 0 0 0 531,-1.0 4,-1.6 -5,-0.2 3,-0.3 0.885 114.1 60.9 -70.7 -37.6 50.2 81.2 16.2 34 37 A A H > S+ 0 0 0 -6,-0.3 4,-2.7 1,-0.2 3,-0.5 0.925 99.2 56.0 -54.9 -46.1 51.8 84.5 16.9 35 38 A R H X S+ 0 0 113 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.900 105.5 53.6 -52.8 -41.8 48.9 85.5 19.2 36 39 A G H X S+ 0 0 0 -4,-1.0 4,-1.1 -3,-0.3 -1,-0.3 0.853 108.0 48.4 -63.2 -35.8 49.5 82.3 21.2 37 40 A I H <>S+ 0 0 0 -4,-1.6 5,-2.0 -3,-0.5 3,-0.5 0.930 111.5 50.0 -71.0 -42.6 53.2 83.1 21.7 38 41 A L H ><5S+ 0 0 32 -4,-2.7 3,-2.6 1,-0.2 -2,-0.2 0.950 106.8 55.6 -60.2 -45.1 52.3 86.7 22.8 39 42 A E H 3<5S+ 0 0 152 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.802 104.5 54.0 -55.4 -32.3 49.7 85.2 25.3 40 43 A R T 3<5S- 0 0 73 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.342 125.8-102.6 -85.8 5.6 52.4 83.1 26.8 41 44 A G T < 5S+ 0 0 36 -3,-2.6 -21,-2.2 1,-0.3 -3,-0.2 0.481 78.2 128.4 91.8 2.5 54.5 86.2 27.4 42 45 A G < - 0 0 4 -5,-2.0 2,-0.3 -23,-0.2 -1,-0.3 -0.521 56.4-122.6 -90.1 159.2 57.1 86.0 24.6 43 46 A R E -a 22 0A 142 -22,-3.3 -20,-2.9 -2,-0.2 2,-0.4 -0.743 27.6-145.0 -94.9 152.3 57.9 88.7 22.1 44 47 A V E -ac 23 65A 1 20,-2.8 22,-3.1 -2,-0.3 2,-0.6 -0.962 18.4-165.8-125.6 134.5 57.4 87.9 18.4 45 48 A I E -ac 24 66A 10 -22,-2.8 -20,-2.5 -2,-0.4 2,-0.5 -0.976 27.1-164.9-109.4 113.1 59.3 89.0 15.3 46 49 A G E -ac 25 67A 0 20,-3.4 22,-3.4 -2,-0.6 2,-0.3 -0.902 7.7-167.2-111.4 125.4 57.0 88.0 12.5 47 50 A L E + c 0 68A 0 -22,-2.3 -19,-2.5 -2,-0.5 2,-0.3 -0.821 13.9 160.5-107.9 149.0 58.0 87.7 8.9 48 51 A D E - c 0 69A 2 20,-1.7 22,-1.9 -2,-0.3 -21,-0.1 -0.919 28.6-157.6-161.7 137.2 55.8 87.4 5.8 49 52 A Q S S+ 0 0 28 -2,-0.3 73,-0.2 20,-0.2 22,-0.1 0.620 70.8 96.4 -91.2 -13.9 56.5 88.1 2.2 50 53 A D >> - 0 0 0 1,-0.2 4,-2.5 20,-0.1 3,-0.9 -0.662 65.4-152.5 -79.7 113.8 52.8 88.6 1.3 51 54 A P H 3> S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.833 95.6 55.4 -55.1 -31.5 52.1 92.3 1.3 52 55 A E H 3> S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.859 108.9 46.4 -71.5 -32.4 48.4 91.6 2.2 53 56 A A H <> S+ 0 0 0 -3,-0.9 4,-3.1 2,-0.2 5,-0.2 0.912 111.7 51.8 -73.9 -41.2 49.4 89.6 5.2 54 57 A V H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.970 112.0 45.8 -58.9 -50.5 51.9 92.2 6.3 55 58 A A H X S+ 0 0 56 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.947 115.2 46.6 -56.7 -51.3 49.2 94.9 6.1 56 59 A R H X S+ 0 0 80 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.931 110.8 52.1 -57.7 -48.9 46.6 92.9 7.9 57 60 A A H >< S+ 0 0 1 -4,-3.1 3,-1.0 1,-0.2 5,-0.4 0.895 110.7 47.7 -55.8 -44.5 49.0 91.8 10.6 58 61 A K H >< S+ 0 0 122 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.867 103.3 62.4 -65.9 -35.9 50.0 95.4 11.3 59 62 A G H 3< S+ 0 0 49 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.646 93.9 65.2 -64.6 -14.0 46.4 96.4 11.4 60 63 A L T << S- 0 0 59 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.673 89.2-153.3 -81.1 -18.9 46.0 94.1 14.4 61 64 A H < - 0 0 155 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.898 20.4-177.8 45.0 56.0 48.3 96.3 16.5 62 65 A L > - 0 0 26 -5,-0.4 3,-1.7 3,-0.1 -1,-0.2 -0.756 26.3-123.6 -88.6 118.6 49.3 93.4 18.8 63 66 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.330 95.5 25.2 -59.2 139.9 51.7 94.5 21.5 64 67 A G T 3 S+ 0 0 38 1,-0.2 -20,-2.8 -21,-0.1 2,-0.5 0.399 96.3 114.8 88.4 -2.9 55.0 92.6 21.5 65 68 A L E < -c 44 0A 26 -3,-1.7 2,-0.6 -22,-0.2 -1,-0.2 -0.917 44.8-168.9-108.4 121.9 54.8 91.8 17.8 66 69 A T E -c 45 0A 67 -22,-3.1 -20,-3.4 -2,-0.5 2,-0.5 -0.941 14.8-151.0-107.4 117.6 57.3 93.2 15.3 67 70 A V E -c 46 0A 31 -2,-0.6 2,-0.5 -22,-0.2 -20,-0.2 -0.770 11.7-171.6 -93.2 128.5 56.1 92.7 11.7 68 71 A V E -c 47 0A 24 -22,-3.4 -20,-1.7 -2,-0.5 2,-0.6 -0.982 16.3-144.3-121.5 125.4 58.8 92.3 9.0 69 72 A Q E +c 48 0A 114 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.791 58.8 83.0 -86.1 121.5 57.9 92.2 5.3 70 73 A G S S- 0 0 15 -22,-1.9 2,-0.4 -2,-0.6 -20,-0.1 -0.951 78.0 -66.7 165.4 174.8 60.3 89.8 3.7 71 74 A N > - 0 0 29 -2,-0.3 3,-2.4 -22,-0.1 -23,-0.0 -0.742 33.5-134.7 -93.8 133.6 61.4 86.3 2.7 72 75 A F G > S+ 0 0 18 -2,-0.4 3,-1.5 1,-0.3 4,-0.2 0.632 99.4 78.1 -64.8 -4.1 62.4 83.9 5.5 73 76 A R G 3 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.575 95.1 50.2 -79.3 -3.2 65.4 82.9 3.4 74 77 A H G <> S+ 0 0 67 -3,-2.4 4,-3.0 1,-0.1 5,-0.3 -0.008 76.1 127.9-115.3 24.2 66.9 86.2 4.6 75 78 A L H <> + 0 0 0 -3,-1.5 4,-2.5 1,-0.2 5,-0.3 0.883 69.8 46.0 -48.5 -52.8 66.1 85.5 8.2 76 79 A K H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 114.7 48.2 -60.9 -43.3 69.6 86.0 9.7 77 80 A R H > S+ 0 0 151 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.941 113.7 46.2 -63.4 -47.5 70.1 89.2 7.8 78 81 A H H X S+ 0 0 33 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.860 112.3 49.8 -67.5 -34.1 66.7 90.6 8.8 79 82 A L H ><>S+ 0 0 2 -4,-2.5 5,-2.9 -5,-0.3 3,-1.1 0.899 108.4 54.1 -68.2 -39.0 67.1 89.7 12.4 80 83 A A H ><5S+ 0 0 58 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.877 103.5 56.3 -60.8 -36.4 70.5 91.3 12.4 81 84 A A H 3<5S+ 0 0 86 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.638 105.4 51.2 -71.6 -15.5 68.8 94.5 11.1 82 85 A L T <<5S- 0 0 79 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.260 126.9-104.0 -99.4 7.9 66.5 94.4 14.2 83 86 A G T < 5S+ 0 0 67 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.792 80.4 131.2 75.9 30.9 69.6 94.1 16.4 84 87 A V < + 0 0 29 -5,-2.9 -1,-0.2 -8,-0.1 -2,-0.2 -0.964 24.1 161.2-123.8 126.4 69.1 90.4 17.0 85 88 A E S S+ 0 0 154 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.606 73.2 32.4-110.9 -20.3 71.7 87.6 16.7 86 89 A R - 0 0 130 -7,-0.1 2,-0.3 135,-0.0 -1,-0.3 -0.988 62.9-170.5-138.6 145.5 70.0 84.9 18.8 87 90 A V E - d 0 220A 1 132,-2.3 134,-3.1 -2,-0.3 -64,-0.2 -0.945 27.0-130.0-135.4 157.7 66.4 83.9 19.4 88 91 A D E S- 0 0 33 -66,-2.3 137,-1.0 -2,-0.3 2,-0.3 0.704 84.4 -4.1 -81.5 -17.4 64.7 81.6 21.8 89 92 A G E -bd 23 225A 0 -67,-0.9 -65,-2.6 135,-0.2 2,-0.4 -0.964 55.6-149.9-171.5 153.9 62.5 79.8 19.3 90 93 A I E -bd 24 226A 0 135,-2.8 137,-3.3 -2,-0.3 2,-0.4 -0.995 10.2-171.2-139.0 133.1 61.4 79.7 15.7 91 94 A L E -bd 25 227A 0 -67,-2.9 -65,-2.8 -2,-0.4 -64,-0.4 -0.942 5.0-179.2-123.4 143.0 58.2 78.6 14.1 92 95 A A E - d 0 228A 0 135,-2.1 137,-2.8 -2,-0.4 2,-0.6 -0.964 7.7-174.9-142.4 123.0 57.3 78.1 10.4 93 96 A D E - d 0 229A 0 -2,-0.4 137,-0.1 135,-0.2 135,-0.1 -0.922 32.8-143.0-117.7 94.1 53.8 77.0 9.2 94 97 A L + 0 0 7 135,-2.0 2,-0.3 -2,-0.6 -67,-0.0 -0.147 48.6 55.5 -67.7 153.0 54.4 76.6 5.5 95 98 A G S S- 0 0 17 135,-0.0 2,-0.1 136,-0.0 -2,-0.1 -0.780 83.6 -41.6 127.2-170.3 52.1 77.4 2.7 96 99 A V - 0 0 24 -2,-0.3 2,-0.1 1,-0.1 24,-0.0 -0.444 58.2-107.2 -91.2 165.5 50.1 80.3 1.2 97 100 A S > - 0 0 5 -2,-0.1 4,-1.7 -68,-0.1 5,-0.2 -0.286 34.7 -96.7 -85.8 176.2 48.0 82.9 3.3 98 101 A S H > S+ 0 0 50 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.919 127.3 51.6 -57.2 -45.6 44.3 83.2 3.6 99 102 A F H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 7,-0.3 0.880 103.3 58.0 -60.1 -41.4 44.3 85.8 0.9 100 103 A H H 4 S+ 0 0 1 1,-0.2 8,-0.5 2,-0.2 -1,-0.2 0.902 117.7 32.6 -56.1 -42.6 46.3 83.6 -1.4 101 104 A L H < S+ 0 0 83 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.878 124.5 40.2 -85.9 -39.6 43.6 81.0 -1.3 102 105 A D H < S+ 0 0 122 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.542 102.7 72.5 -90.0 -6.2 40.4 83.0 -0.9 103 106 A D >< - 0 0 57 -4,-1.9 3,-2.6 -5,-0.3 5,-0.3 -0.836 62.2-167.6-110.7 95.5 41.4 85.8 -3.3 104 107 A P G > S+ 0 0 48 0, 0.0 3,-2.0 0, 0.0 5,-0.2 0.758 80.6 75.6 -52.1 -25.0 41.1 84.3 -6.8 105 108 A S G 3 S+ 0 0 61 1,-0.3 9,-0.1 9,-0.2 -5,-0.1 0.699 84.5 63.5 -62.9 -18.9 43.0 87.4 -8.1 106 109 A R G < S- 0 0 35 -3,-2.6 12,-2.3 -7,-0.3 -1,-0.3 0.609 104.1-133.6 -81.1 -9.5 46.2 86.0 -6.7 107 110 A G < + 0 0 0 -3,-2.0 -2,-0.1 -4,-0.3 7,-0.1 0.766 65.7 125.8 65.4 33.2 45.9 83.1 -9.2 108 111 A F + 0 0 20 -8,-0.5 2,-0.5 -5,-0.3 -7,-0.1 0.726 52.9 78.7 -90.9 -23.1 46.7 80.2 -6.8 109 112 A S - 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0 0 159 2,-0.1 -2,-0.2 79,-0.0 -3,-0.1 -0.857 64.7 -13.9-106.9 119.0 59.7 88.7 -6.5 124 127 A G S S- 0 0 42 -2,-0.6 -5,-0.1 -5,-0.1 78,-0.1 -0.142 93.6 -30.8 93.1 172.8 60.3 87.2 -9.9 125 128 A P - 0 0 81 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.277 65.8-112.4 -65.3 153.5 58.3 86.4 -13.1 126 129 A T > - 0 0 27 1,-0.1 4,-1.8 -7,-0.0 3,-0.3 -0.308 27.6-104.2 -81.1 168.5 54.7 85.2 -12.7 127 130 A A H > S+ 0 0 0 -10,-2.5 4,-2.8 1,-0.2 5,-0.3 0.840 121.2 64.9 -60.7 -31.6 53.4 81.7 -13.4 128 131 A K H > S+ 0 0 68 -12,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.924 104.2 43.1 -55.3 -49.6 51.9 83.3 -16.6 129 132 A E H > S+ 0 0 73 -3,-0.3 4,-1.6 -13,-0.2 5,-0.3 0.861 112.9 53.7 -67.4 -36.2 55.5 84.0 -18.0 130 133 A V H X S+ 0 0 13 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.958 111.9 42.2 -64.3 -50.1 56.7 80.6 -16.9 131 134 A V H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.807 118.8 45.3 -70.1 -28.7 54.0 78.6 -18.7 132 135 A N H < S+ 0 0 35 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.700 124.7 29.3 -86.2 -19.2 54.2 80.8 -21.8 133 136 A R H < S+ 0 0 185 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.732 83.9 103.2-115.6 -26.7 58.0 80.9 -22.1 134 137 A L S < S- 0 0 31 -4,-2.3 5,-0.0 -5,-0.3 -4,-0.0 -0.353 75.6-111.4 -63.0 138.1 59.8 77.9 -20.7 135 138 A P > - 0 0 83 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.324 32.9-104.8 -64.5 153.7 61.0 75.5 -23.4 136 139 A L H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.894 120.6 51.5 -42.8 -56.2 59.2 72.1 -23.5 137 140 A E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 111.9 45.4 -50.4 -48.8 62.1 70.3 -21.8 138 141 A A H > S+ 0 0 17 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.896 112.2 52.7 -64.0 -41.7 62.4 72.8 -19.0 139 142 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.941 109.9 47.3 -60.2 -49.7 58.6 72.8 -18.5 140 143 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.884 111.6 50.8 -61.7 -40.3 58.5 69.0 -18.2 141 144 A R H X S+ 0 0 100 -4,-2.0 4,-3.4 -5,-0.2 5,-0.4 0.923 109.2 51.6 -62.0 -44.1 61.4 68.9 -15.8 142 145 A L H X>S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 5,-0.5 0.948 113.2 44.2 -57.1 -50.9 59.7 71.5 -13.6 143 146 A L H X5S+ 0 0 0 -4,-2.4 6,-1.5 3,-0.2 4,-1.5 0.927 117.8 45.0 -62.2 -45.0 56.4 69.5 -13.5 144 147 A R H X5S+ 0 0 118 -4,-2.6 4,-1.1 4,-0.2 -2,-0.2 0.970 121.2 36.7 -64.0 -52.6 58.3 66.2 -12.8 145 148 A E H <5S+ 0 0 114 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.883 129.6 28.3 -69.2 -43.0 60.7 67.6 -10.2 146 149 A L H <5S+ 0 0 26 -4,-2.6 -3,-0.2 -5,-0.4 -1,-0.2 0.626 132.2 33.5 -97.3 -17.2 58.5 70.0 -8.3 147 150 A G H < - 0 0 3 -6,-1.5 3,-1.2 1,-0.1 -1,-0.2 -0.726 27.9-163.0 -85.0 113.0 53.9 64.7 -12.0 150 153 A P T 3 S+ 0 0 103 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.757 92.0 48.5 -66.7 -27.4 54.1 61.2 -13.8 151 154 A Q T 3> S+ 0 0 68 1,-0.2 4,-2.6 2,-0.1 5,-0.3 -0.070 73.2 134.3-104.7 35.6 52.6 62.7 -17.0 152 155 A A H <> S+ 0 0 4 -3,-1.2 4,-2.7 1,-0.2 5,-0.2 0.870 71.4 45.0 -52.1 -48.6 55.0 65.7 -17.1 153 156 A Y H > S+ 0 0 115 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.936 112.8 50.5 -65.7 -43.2 55.9 65.4 -20.8 154 157 A R H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.908 115.0 43.3 -60.9 -42.3 52.4 64.9 -21.9 155 158 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.923 112.8 52.2 -69.6 -43.3 51.2 67.9 -19.9 156 159 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.904 109.4 50.4 -59.4 -40.4 54.1 70.1 -21.0 157 160 A R H X S+ 0 0 105 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.913 110.2 49.6 -65.2 -40.7 53.4 69.2 -24.6 158 161 A A H X S+ 0 0 25 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.876 110.3 50.9 -64.4 -38.3 49.7 70.2 -24.2 159 162 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.909 111.7 47.1 -66.1 -41.7 50.8 73.5 -22.6 160 163 A V H X S+ 0 0 20 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.925 110.9 52.3 -65.5 -42.7 53.1 74.3 -25.5 161 164 A A H X S+ 0 0 50 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.932 114.3 42.8 -58.9 -46.6 50.4 73.3 -28.0 162 165 A A H >X S+ 0 0 23 -4,-2.4 4,-2.3 1,-0.2 3,-0.7 0.900 113.2 49.6 -67.3 -43.9 47.9 75.7 -26.4 163 166 A R H 3< S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.772 105.0 58.4 -68.7 -26.8 50.3 78.6 -25.8 164 167 A E H 3< S+ 0 0 152 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.740 109.8 47.3 -72.0 -20.0 51.5 78.4 -29.4 165 168 A K H << S- 0 0 178 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.917 136.9 -28.3 -83.2 -50.1 47.8 79.0 -30.2 166 169 A A S < S- 0 0 57 -4,-2.3 -1,-0.4 0, 0.0 -2,-0.0 -0.955 82.0 -76.0-163.4 151.0 47.2 81.9 -27.8 167 170 A P - 0 0 74 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.196 40.9-126.8 -54.8 138.7 48.7 83.0 -24.5 168 171 A I + 0 0 4 -40,-0.2 -36,-0.1 1,-0.2 -37,-0.1 -0.806 43.6 159.9 -87.8 117.3 47.6 81.0 -21.5 169 172 A E + 0 0 94 -2,-0.7 -53,-2.2 1,-0.1 2,-0.3 0.727 41.7 52.0-114.5 -25.7 46.4 83.7 -19.1 170 173 A T B > S-H 115 0B 22 -55,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.785 71.5-121.4-119.9 159.8 44.1 82.4 -16.4 171 174 A T H > S+ 0 0 0 -57,-2.6 4,-3.2 -2,-0.3 5,-0.2 0.943 114.4 51.7 -58.6 -46.4 44.1 79.6 -13.8 172 175 A T H > S+ 0 0 47 -58,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.850 108.1 50.6 -65.9 -30.1 41.0 78.1 -15.3 173 176 A Q H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 113.7 45.2 -69.7 -43.7 42.4 78.0 -18.8 174 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.933 112.0 53.0 -63.0 -44.7 45.6 76.3 -17.5 175 178 A A H X S+ 0 0 6 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.871 110.2 46.8 -59.2 -39.3 43.5 73.9 -15.5 176 179 A E H X S+ 0 0 72 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.899 109.4 54.5 -71.9 -37.8 41.4 72.9 -18.4 177 180 A I H X S+ 0 0 31 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.934 113.9 41.3 -60.0 -43.6 44.5 72.4 -20.6 178 181 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 5,-0.3 0.903 113.0 54.2 -71.5 -38.8 45.9 70.0 -18.0 179 182 A R H X S+ 0 0 104 -4,-2.4 4,-3.0 1,-0.2 3,-0.3 0.936 108.5 48.6 -60.0 -48.4 42.5 68.3 -17.4 180 183 A K H < S+ 0 0 146 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 113.2 48.7 -61.1 -34.9 42.1 67.6 -21.1 181 184 A A H < S+ 0 0 12 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.794 124.2 27.5 -77.2 -26.6 45.6 66.2 -21.3 182 185 A V H < S- 0 0 21 -4,-1.9 -2,-0.2 -3,-0.3 -3,-0.2 0.827 83.8-170.5-102.8 -40.8 45.4 63.9 -18.3 183 186 A G < + 0 0 27 -4,-3.0 -1,-0.1 -5,-0.3 -2,-0.1 -0.506 56.1 13.9 80.1-150.1 41.7 63.0 -17.9 184 187 A F + 0 0 180 -2,-0.2 2,-0.3 5,-0.1 5,-0.1 -0.270 63.0 179.7 -63.1 140.6 40.5 61.2 -14.8 185 188 A R - 0 0 45 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 -0.955 18.3-156.8-144.0 120.9 42.9 61.1 -11.8 186 189 A R S S+ 0 0 206 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.935 87.9 55.3 -63.7 -51.2 41.9 59.4 -8.6 187 190 A A S S- 0 0 77 1,-0.2 2,-0.3 3,-0.0 -1,-0.2 0.838 124.9 -42.6 -54.1 -40.7 44.3 61.2 -6.2 188 191 A G S S- 0 0 18 -3,-0.1 -1,-0.2 0, 0.0 5,-0.1 -0.952 85.7 -44.5-180.0 167.8 43.1 64.7 -7.0 189 192 A H > - 0 0 68 -2,-0.3 3,-2.2 1,-0.2 4,-0.4 -0.146 59.4-115.9 -48.4 136.4 42.1 66.9 -10.0 190 193 A P T 3 S+ 0 0 9 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.712 112.2 58.1 -50.1 -22.8 44.7 66.5 -12.8 191 194 A A T 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.1 5,-0.2 0.629 82.1 85.9 -86.1 -12.7 45.7 70.1 -12.4 192 195 A R H <> S+ 0 0 137 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 0.909 90.4 44.3 -55.2 -50.5 46.8 69.9 -8.8 193 196 A K H > S+ 0 0 73 -4,-0.4 4,-2.5 -3,-0.2 -1,-0.2 0.916 113.4 51.4 -63.9 -41.3 50.3 68.7 -9.3 194 197 A T H > S+ 0 0 1 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.931 111.9 47.4 -60.2 -45.8 50.9 71.2 -12.1 195 198 A F H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.891 111.7 50.3 -62.8 -39.2 49.7 74.0 -9.9 196 199 A Q H X S+ 0 0 41 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.917 111.3 48.5 -63.9 -44.4 51.8 72.9 -7.0 197 200 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.904 112.4 47.9 -63.8 -42.6 54.9 72.7 -9.1 198 201 A L H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.904 111.2 50.9 -66.2 -38.4 54.4 76.1 -10.6 199 202 A R H X S+ 0 0 44 -4,-2.3 4,-1.7 -5,-0.2 6,-0.2 0.945 112.8 45.8 -63.2 -46.3 53.8 77.6 -7.2 200 203 A I H <>S+ 0 0 3 -4,-2.5 5,-2.0 2,-0.2 4,-0.4 0.909 116.4 46.2 -62.1 -40.9 57.0 76.1 -5.8 201 204 A Y H ><5S+ 0 0 104 -4,-2.4 3,-1.0 2,-0.2 -2,-0.2 0.939 111.0 49.7 -68.2 -50.2 59.0 77.2 -8.9 202 205 A V H 3<5S+ 0 0 15 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.835 122.0 35.1 -58.3 -35.4 57.6 80.8 -9.0 203 206 A N T 3<5S- 0 0 14 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.324 99.9-131.6-102.9 4.1 58.4 81.2 -5.3 204 207 A D T <>5 + 0 0 57 -3,-1.0 4,-2.4 -4,-0.4 5,-0.2 0.873 43.3 170.7 44.0 47.2 61.6 79.1 -5.3 205 208 A E H >< + 0 0 19 -5,-2.0 4,-1.9 -6,-0.2 -1,-0.1 0.802 61.9 49.8 -58.5 -40.0 60.1 77.5 -2.2 206 209 A L H > S+ 0 0 25 -6,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 114.6 42.1 -72.3 -43.2 62.4 74.6 -1.7 207 210 A N H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.930 114.1 52.5 -70.2 -39.9 65.7 76.6 -1.8 208 211 A A H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.923 111.1 49.5 -57.7 -42.6 64.2 79.4 0.3 209 212 A L H X S+ 0 0 3 -4,-1.9 4,-3.1 -5,-0.2 -2,-0.2 0.937 109.2 49.5 -62.0 -49.1 63.2 76.7 2.8 210 213 A K H X S+ 0 0 94 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.881 113.6 47.1 -59.4 -39.7 66.7 75.1 2.9 211 214 A E H X S+ 0 0 57 -4,-2.5 4,-1.8 2,-0.2 5,-0.2 0.924 112.3 49.0 -68.8 -45.2 68.3 78.5 3.4 212 215 A F H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.949 109.4 53.9 -58.6 -47.1 65.8 79.5 6.1 213 216 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.909 110.0 44.8 -56.2 -46.1 66.4 76.2 8.0 214 217 A E H X S+ 0 0 117 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.841 115.7 47.3 -69.6 -31.3 70.2 76.6 8.2 215 218 A Q H X S+ 0 0 35 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.866 110.6 53.4 -75.1 -35.6 69.9 80.2 9.3 216 219 A A H X S+ 0 0 0 -4,-2.9 4,-1.0 -5,-0.2 -2,-0.2 0.930 107.8 49.6 -63.5 -45.3 67.3 79.2 11.8 217 220 A A H >< S+ 0 0 17 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.926 111.7 50.5 -61.1 -41.9 69.5 76.6 13.3 218 221 A E H 3< S+ 0 0 80 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.921 111.4 44.9 -61.7 -47.4 72.4 79.0 13.5 219 222 A V H 3< S+ 0 0 2 -4,-2.4 -132,-2.3 -133,-0.1 2,-0.3 0.506 84.5 112.3 -80.8 -3.1 70.5 81.9 15.3 220 223 A L E << -d 87 0A 1 -4,-1.0 -132,-0.2 -3,-0.6 3,-0.1 -0.529 67.2-129.0 -70.3 130.7 68.7 79.7 17.9 221 224 A A E > - 0 0 13 -134,-3.1 3,-2.7 -2,-0.3 58,-0.3 -0.318 48.7 -66.3 -71.3 163.4 69.9 80.3 21.4 222 225 A P E 3 S+ 0 0 93 0, 0.0 58,-0.2 0, 0.0 -1,-0.2 -0.233 127.0 12.5 -52.6 132.3 71.0 77.3 23.5 223 226 A G E 3 S+ 0 0 37 56,-2.4 57,-0.1 1,-0.3 -2,-0.1 0.427 95.8 143.3 80.8 -4.7 68.0 75.1 24.2 224 227 A G E < - 0 0 4 -3,-2.7 55,-2.7 -137,-0.1 2,-0.4 -0.366 44.2-129.1 -71.0 153.4 65.9 76.9 21.7 225 228 A R E -dE 89 278A 54 -137,-1.0 -135,-2.8 -210,-0.3 2,-0.5 -0.848 9.8-157.1-109.4 137.2 63.4 75.1 19.5 226 229 A L E -dE 90 277A 1 51,-2.6 51,-1.7 -2,-0.4 2,-0.5 -0.960 19.5-173.3-108.0 121.9 62.9 75.1 15.7 227 230 A V E +dE 91 276A 0 -137,-3.3 -135,-2.1 -2,-0.5 2,-0.4 -0.968 4.9 178.9-123.9 121.7 59.3 74.1 14.9 228 231 A V E -dE 92 275A 2 47,-2.9 47,-2.8 -2,-0.5 2,-0.6 -0.978 16.7-159.7-129.7 133.2 58.1 73.5 11.3 229 232 A I E -dE 93 274A 0 -137,-2.8 -135,-2.0 -2,-0.4 2,-0.3 -0.948 17.7-168.6-111.0 113.2 54.7 72.4 9.9 230 233 A A E - E 0 273A 1 43,-3.0 43,-2.3 -2,-0.6 3,-0.1 -0.773 13.4-174.1-102.4 148.8 55.0 71.0 6.4 231 234 A F + 0 0 29 -2,-0.3 2,-0.3 41,-0.2 -1,-0.1 0.508 61.8 46.0-122.2 -10.0 52.0 70.3 4.1 232 235 A H S > S- 0 0 20 41,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.949 82.4-108.4-134.7 159.0 53.3 68.6 1.0 233 236 A S H > S+ 0 0 78 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.847 111.3 50.2 -49.7 -48.6 55.7 65.7 0.3 234 237 A L H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 115.2 40.9 -64.8 -43.0 58.6 67.7 -1.2 235 238 A E H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 112.4 54.4 -75.8 -36.3 58.8 70.3 1.6 236 239 A D H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.857 108.2 51.3 -62.7 -33.1 58.3 67.8 4.4 237 240 A R H X S+ 0 0 115 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.904 108.5 50.9 -70.1 -40.5 61.2 65.7 3.0 238 241 A V H X S+ 0 0 17 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.937 113.5 45.4 -60.1 -46.4 63.4 68.8 2.9 239 242 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.953 113.5 49.7 -62.8 -48.7 62.5 69.5 6.5 240 243 A K H X S+ 0 0 63 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.941 114.7 43.0 -56.6 -49.9 63.0 65.9 7.6 241 244 A R H X S+ 0 0 113 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.920 113.0 52.7 -64.1 -44.6 66.4 65.6 6.0 242 245 A F H X S+ 0 0 39 -4,-2.6 4,-1.6 -5,-0.3 -2,-0.2 0.951 109.3 48.5 -55.7 -51.4 67.6 69.0 7.2 243 246 A L H X S+ 0 0 5 -4,-2.6 4,-0.7 1,-0.2 5,-0.4 0.940 114.3 44.4 -57.2 -48.2 66.7 68.2 10.8 244 247 A R H < S+ 0 0 130 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.793 119.7 41.9 -70.5 -24.5 68.4 64.8 10.9 245 248 A E H < S+ 0 0 143 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.575 99.8 78.1 -94.0 -12.2 71.6 66.1 9.0 246 249 A S H < S- 0 0 44 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.1 0.822 94.9-124.5 -67.6 -38.8 71.7 69.3 11.0 247 250 A G < + 0 0 69 -4,-0.7 -3,-0.1 1,-0.4 -1,-0.1 0.259 69.5 128.7 104.2 -9.8 73.2 68.2 14.3 248 251 A L S S- 0 0 22 -5,-0.4 2,-0.8 1,-0.1 -1,-0.4 -0.316 74.9 -97.9 -69.6 164.0 70.3 69.7 16.2 249 252 A K E -F 278 0A 90 29,-2.9 29,-2.8 -3,-0.1 2,-0.5 -0.798 39.2-135.9 -87.3 112.9 68.6 67.3 18.7 250 253 A V E -F 277 0A 36 -2,-0.8 27,-0.3 27,-0.2 3,-0.2 -0.618 22.7-176.0 -73.5 118.6 65.6 66.0 16.8 251 254 A L S S+ 0 0 53 25,-1.9 2,-0.6 -2,-0.5 26,-0.2 0.733 73.4 51.4 -87.2 -24.7 62.5 66.0 19.1 252 255 A T + 0 0 9 24,-1.3 -1,-0.2 1,-0.2 24,-0.1 -0.792 54.5 176.3-118.8 88.4 60.1 64.4 16.7 253 256 A K S S+ 0 0 160 -2,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 0.931 86.4 31.7 -52.9 -44.7 61.4 61.1 15.2 254 257 A K S S- 0 0 168 -3,-0.2 -1,-0.1 1,-0.1 20,-0.0 -0.902 104.4-101.5-113.2 143.4 58.0 60.9 13.5 255 258 A P - 0 0 37 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.196 32.2-119.4 -60.7 153.3 56.0 64.0 12.5 256 259 A L B -G 274 0A 60 18,-2.7 18,-3.0 -4,-0.1 -4,-0.0 -0.792 33.9-166.2 -93.0 137.2 53.2 65.2 14.7 257 260 A V - 0 0 87 -2,-0.4 16,-0.1 16,-0.2 13,-0.1 -0.911 23.7 -96.4-126.3 154.2 49.9 65.1 12.8 258 261 A P - 0 0 15 0, 0.0 -252,-0.0 0, 0.0 -1,-0.0 -0.304 42.1-103.6 -67.8 150.4 46.4 66.7 13.7 259 262 A S > - 0 0 69 1,-0.1 4,-3.0 4,-0.0 3,-0.3 -0.279 34.8-107.7 -66.4 159.7 43.7 64.6 15.4 260 263 A E H > S+ 0 0 121 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.833 122.4 59.5 -60.4 -28.5 40.9 63.5 13.1 261 264 A K H > S+ 0 0 150 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 108.8 40.8 -65.6 -44.3 38.8 66.1 14.8 262 265 A E H > S+ 0 0 25 -3,-0.3 4,-3.2 2,-0.2 7,-0.2 0.922 116.2 50.4 -70.3 -40.5 41.1 68.9 13.7 263 266 A A H < S+ 0 0 6 -4,-3.0 7,-0.3 1,-0.2 -2,-0.2 0.907 111.6 50.1 -61.0 -38.9 41.4 67.3 10.3 264 267 A A H < S+ 0 0 65 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.926 115.6 41.1 -64.8 -46.3 37.7 67.1 10.2 265 268 A Q H < S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.877 125.0 32.1 -70.8 -41.2 37.2 70.8 11.2 266 269 A N >< - 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0 0 155 2,-0.1 -2,-0.2 79,-0.0 -3,-0.1 -0.881 66.5 -21.6-106.7 114.4 28.5 39.9 -1.4 405 127 B G S S- 0 0 40 -2,-0.6 -5,-0.1 -5,-0.1 78,-0.0 -0.144 94.0 -26.4 90.8 176.3 29.4 39.8 -5.1 406 128 B P - 0 0 85 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.233 66.8-110.2 -64.0 157.6 29.3 37.3 -8.0 407 129 B T > - 0 0 28 1,-0.1 4,-1.8 -10,-0.1 -9,-0.2 -0.331 27.3-105.4 -83.4 167.7 29.4 33.5 -7.3 408 130 B A H > S+ 0 0 0 -10,-2.6 4,-2.4 1,-0.2 5,-0.3 0.841 120.9 63.6 -62.0 -29.0 32.4 31.2 -8.1 409 131 B K H > S+ 0 0 64 -12,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.962 103.3 43.3 -58.7 -54.7 30.1 29.9 -10.9 410 132 B E H > S+ 0 0 81 -13,-0.2 4,-0.9 1,-0.2 5,-0.3 0.870 111.9 56.9 -61.2 -35.3 30.1 33.3 -12.7 411 133 B V H >X S+ 0 0 15 -4,-1.8 4,-2.3 2,-0.2 3,-0.6 0.947 110.5 40.2 -62.9 -51.0 33.8 33.7 -12.1 412 134 B V H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.7 49.3 -69.0 -33.1 34.9 30.4 -13.8 413 135 B N H 3< S+ 0 0 32 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.564 123.3 28.4 -82.9 -7.3 32.4 30.8 -16.7 414 136 B R H << S+ 0 0 189 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.2 0.630 85.7 106.1-126.9 -21.0 33.3 34.4 -17.5 415 137 B L S < S- 0 0 26 -4,-2.3 -4,-0.0 -5,-0.3 0, 0.0 -0.425 70.5-118.3 -67.7 135.9 37.0 35.2 -16.6 416 138 B P > - 0 0 81 0, 0.0 4,-3.1 0, 0.0 5,-0.3 -0.256 33.5 -97.0 -66.1 159.6 39.3 35.4 -19.7 417 139 B L H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 122.5 44.9 -44.3 -55.5 42.1 33.0 -20.0 418 140 B E H > S+ 0 0 92 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.931 114.6 46.4 -59.6 -49.6 44.8 35.3 -18.5 419 141 B A H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 114.4 49.2 -58.8 -45.1 42.7 36.5 -15.6 420 142 B L H X S+ 0 0 2 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.887 115.4 44.4 -61.2 -40.1 41.6 32.9 -14.9 421 143 B A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.892 112.2 51.0 -70.8 -42.5 45.3 31.8 -15.0 422 144 B R H X S+ 0 0 114 -4,-3.5 4,-2.0 1,-0.2 5,-0.3 0.830 110.0 52.5 -63.7 -32.4 46.5 34.8 -12.9 423 145 B L H X>S+ 0 0 9 -4,-2.2 4,-1.9 -5,-0.2 5,-0.6 0.948 109.2 46.4 -68.9 -50.4 43.9 33.9 -10.3 424 146 B L H X5S+ 0 0 1 -4,-1.8 6,-1.3 3,-0.2 4,-0.8 0.849 116.4 46.8 -62.6 -35.0 44.9 30.3 -10.0 425 147 B R H X5S+ 0 0 95 -4,-1.9 4,-1.4 4,-0.2 -2,-0.2 0.978 118.0 34.4 -73.3 -59.3 48.6 31.2 -9.7 426 148 B E H <5S+ 0 0 114 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.750 131.5 30.1 -72.3 -24.4 48.7 34.1 -7.2 427 149 B L H <5S+ 0 0 31 -4,-1.9 -3,-0.2 -5,-0.3 -1,-0.2 0.683 132.1 30.2-107.9 -23.2 45.8 32.8 -5.0 428 150 B G H < - 0 0 13 -6,-1.3 3,-1.4 1,-0.2 -1,-0.2 -0.849 33.5-157.7-108.6 96.8 48.9 26.1 -8.5 431 153 B P T 3 S+ 0 0 122 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.775 92.0 58.2 -39.7 -40.6 51.9 25.6 -11.0 432 154 B Q T 3> S+ 0 0 64 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.034 71.5 126.5 -86.3 34.6 49.6 24.1 -13.7 433 155 B A H <> S+ 0 0 3 -3,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.936 72.5 44.4 -56.1 -55.9 47.5 27.4 -13.6 434 156 B Y H > S+ 0 0 86 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.798 112.7 56.0 -61.3 -28.6 47.7 28.1 -17.3 435 157 B R H > S+ 0 0 140 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.933 110.9 41.2 -68.9 -48.2 47.0 24.4 -17.9 436 158 B I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.873 108.1 59.8 -70.0 -38.6 43.8 24.4 -15.9 437 159 B A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.913 105.1 50.2 -56.4 -44.2 42.5 27.7 -17.2 438 160 B R H X S+ 0 0 131 -4,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.927 109.9 50.0 -60.4 -46.5 42.5 26.4 -20.8 439 161 B A H X S+ 0 0 24 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.907 112.5 47.5 -58.2 -45.0 40.6 23.3 -19.8 440 162 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.952 112.4 49.0 -61.7 -48.3 38.0 25.5 -18.0 441 163 B V H X S+ 0 0 25 -4,-3.2 4,-1.5 -5,-0.2 -2,-0.2 0.906 111.9 52.2 -57.1 -39.9 37.8 27.8 -21.0 442 164 B A H X S+ 0 0 38 -4,-3.0 4,-0.9 -5,-0.2 -2,-0.2 0.961 111.4 42.8 -60.6 -56.5 37.4 24.6 -23.1 443 165 B A H >X S+ 0 0 22 -4,-2.8 4,-3.0 1,-0.2 3,-1.0 0.911 111.3 52.8 -59.2 -48.7 34.5 23.1 -21.2 444 166 B R H 3< S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 101.4 61.4 -59.9 -33.7 32.5 26.3 -20.7 445 167 B E H 3< S+ 0 0 151 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.847 114.4 36.6 -59.3 -33.6 32.6 26.9 -24.4 446 168 B K H << S- 0 0 179 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.943 137.7 -10.1 -81.2 -59.6 30.8 23.6 -24.8 447 169 B A S < S- 0 0 54 -4,-3.0 -1,-0.3 0, 0.0 2,-0.1 -0.992 80.3 -92.4-143.5 149.2 28.5 23.7 -21.7 448 170 B P - 0 0 78 0, 0.0 2,-0.9 0, 0.0 -4,-0.1 -0.411 35.8-127.5 -64.3 131.3 28.2 26.0 -18.7 449 171 B I + 0 0 2 1,-0.2 -36,-0.2 -40,-0.2 -52,-0.1 -0.727 42.9 161.5 -80.0 107.6 30.2 24.7 -15.6 450 172 B E + 0 0 103 -2,-0.9 -53,-1.8 -54,-0.1 2,-0.3 0.713 46.1 44.3-105.3 -23.2 27.5 24.8 -12.9 451 173 B T B > S-P 396 0D 23 -55,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.821 75.0-116.0-125.8 164.8 28.5 22.5 -10.1 452 174 B T H > S+ 0 0 0 -57,-2.4 4,-2.0 -2,-0.3 -58,-0.1 0.780 113.5 56.2 -66.6 -31.8 31.6 21.8 -8.0 453 175 B T H > S+ 0 0 39 -58,-0.3 4,-3.4 2,-0.2 5,-0.3 0.963 106.7 49.6 -66.2 -49.7 31.8 18.2 -9.2 454 176 B Q H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.947 115.0 43.2 -52.2 -54.9 32.0 19.3 -12.9 455 177 B L H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.847 113.3 53.7 -60.6 -35.1 34.7 21.8 -12.1 456 178 B A H X S+ 0 0 16 -4,-2.0 4,-1.6 1,-0.2 3,-0.4 0.958 113.0 41.9 -64.8 -48.3 36.4 19.2 -9.9 457 179 B E H X S+ 0 0 77 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.689 109.8 57.9 -73.0 -18.5 36.4 16.7 -12.8 458 180 B I H < S+ 0 0 19 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.755 110.5 44.5 -80.1 -24.8 37.4 19.3 -15.4 459 181 B V H >X S+ 0 0 0 -4,-1.2 4,-1.4 -3,-0.4 3,-0.6 0.778 114.4 49.9 -85.3 -30.0 40.5 20.0 -13.3 460 182 B R H >X S+ 0 0 127 -4,-1.6 2,-2.6 1,-0.3 4,-1.9 0.975 105.1 54.0 -70.9 -57.1 41.1 16.3 -12.8 461 183 B K H 3< S+ 0 0 180 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 -0.090 119.7 39.1 -70.2 41.9 40.8 15.4 -16.5 462 184 B A H <4 S+ 0 0 29 -2,-2.6 -1,-0.2 -3,-0.6 -2,-0.2 0.359 114.1 44.7-159.8 -28.0 43.5 18.1 -17.0 463 185 B V H << S- 0 0 15 -4,-1.4 2,-1.0 -3,-0.9 -2,-0.2 0.597 81.2-163.6-102.6 -16.1 46.0 17.9 -14.2 464 186 B G < + 0 0 63 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 -0.569 55.8 7.4 75.5-100.7 46.4 14.1 -14.2 465 187 B F - 0 0 141 -2,-1.0 2,-0.2 6,-0.0 5,-0.0 -0.964 62.4-176.4-126.0 138.6 48.0 12.9 -11.0 466 188 B R - 0 0 113 -2,-0.4 4,-0.1 1,-0.1 -2,-0.0 -0.661 10.4-168.4-121.7 177.7 48.9 14.8 -7.8 467 189 B R S S+ 0 0 181 -2,-0.2 -1,-0.1 3,-0.2 0, 0.0 0.535 75.2 52.7-129.4 -79.0 50.7 14.1 -4.5 468 190 B A S S- 0 0 84 2,-0.0 2,-0.3 1,-0.0 -2,-0.0 0.647 123.2 -37.5 -41.8 -21.0 50.6 16.5 -1.5 469 191 B G S S- 0 0 26 1,-0.1 -3,-0.1 0, 0.0 -1,-0.0 -0.971 88.1 -29.4-178.8-167.2 46.8 16.5 -1.9 470 192 B H - 0 0 101 -2,-0.3 4,-0.4 1,-0.1 -3,-0.2 -0.017 52.4-121.7 -61.3 171.7 43.6 16.4 -4.0 471 193 B P S > S+ 0 0 45 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.966 104.9 38.3 -80.3 -76.9 43.6 17.9 -7.5 472 194 B A T 3> S+ 0 0 0 1,-0.2 4,-2.5 -16,-0.2 5,-0.2 0.460 96.0 99.3 -56.2 0.6 40.9 20.6 -7.7 473 195 B R H 3> S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.974 81.5 38.2 -53.0 -70.9 42.0 21.5 -4.2 474 196 B K H <> S+ 0 0 66 -3,-0.7 4,-2.0 -4,-0.4 -1,-0.2 0.808 116.4 54.6 -54.2 -34.3 44.3 24.5 -4.8 475 197 B T H > S+ 0 0 0 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.907 107.2 49.5 -68.0 -41.9 41.9 25.7 -7.5 476 198 B F H X S+ 0 0 7 -4,-2.5 4,-1.9 -3,-0.4 -2,-0.2 0.881 110.9 50.7 -64.7 -36.4 39.0 25.7 -5.1 477 199 B Q H X S+ 0 0 66 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.882 108.4 51.8 -67.1 -40.5 41.1 27.6 -2.5 478 200 B A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.929 111.3 47.8 -60.0 -47.6 42.0 30.2 -5.1 479 201 B L H X S+ 0 0 1 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.849 109.2 52.7 -63.6 -37.5 38.4 30.7 -6.0 480 202 B R H X S+ 0 0 30 -4,-1.9 4,-2.0 2,-0.2 6,-0.3 0.955 112.1 45.1 -64.1 -49.1 37.3 31.0 -2.3 481 203 B I H <>S+ 0 0 4 -4,-2.2 5,-1.9 2,-0.2 4,-0.4 0.892 117.7 45.5 -58.5 -44.3 39.9 33.7 -1.6 482 204 B Y H ><5S+ 0 0 102 -4,-2.2 3,-1.2 2,-0.2 -2,-0.2 0.955 112.0 48.7 -66.3 -54.2 38.9 35.5 -4.9 483 205 B V H 3<5S+ 0 0 17 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 122.4 35.7 -58.3 -31.6 35.2 35.3 -4.5 484 206 B N T 3<5S- 0 0 14 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.341 100.2-130.9-104.8 5.5 35.4 36.6 -0.9 485 207 B D T <>5 + 0 0 59 -3,-1.2 4,-2.4 -4,-0.4 5,-0.2 0.856 43.2 171.2 45.2 41.3 38.3 39.0 -1.5 486 208 B E H >< + 0 0 16 -5,-1.9 4,-2.5 -6,-0.3 5,-0.2 0.815 61.6 50.3 -49.6 -47.6 39.9 37.4 1.6 487 209 B L H > S+ 0 0 28 -6,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.936 114.1 42.3 -65.5 -46.7 43.4 38.9 1.5 488 210 B N H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 114.6 51.8 -66.0 -39.3 42.4 42.5 1.2 489 211 B A H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.953 112.0 47.7 -60.9 -46.0 39.6 42.1 3.8 490 212 B L H X S+ 0 0 4 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.922 110.4 50.6 -60.3 -45.3 42.2 40.6 6.1 491 213 B K H X S+ 0 0 99 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.909 113.5 46.1 -62.5 -38.4 44.7 43.4 5.6 492 214 B E H X S+ 0 0 69 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.922 111.6 51.1 -68.7 -44.7 42.0 46.0 6.2 493 215 B F H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.919 110.0 50.8 -57.7 -43.5 40.8 44.2 9.3 494 216 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.911 108.3 49.5 -63.9 -45.8 44.3 44.0 10.7 495 217 B E H X S+ 0 0 134 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.915 115.6 45.5 -60.1 -41.2 45.1 47.6 10.3 496 218 B Q H X S+ 0 0 37 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.876 109.6 53.5 -71.5 -37.7 41.8 48.5 12.0 497 219 B A H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.927 108.3 49.5 -63.5 -44.3 42.3 46.0 14.8 498 220 B A H < S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.3 52.6 -62.1 -31.9 45.7 47.4 15.7 499 221 B E H < S+ 0 0 74 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.922 111.8 40.2 -70.0 -47.3 44.0 50.8 15.6 500 222 B V H < S+ 0 0 1 -4,-2.5 -132,-2.1 -133,-0.1 -1,-0.2 0.504 87.0 115.2 -84.0 -3.7 41.2 50.1 18.0 501 223 B L E < -l 368 0C 1 -4,-1.1 -132,-0.2 -134,-0.2 3,-0.1 -0.456 63.8-132.0 -68.1 134.9 43.2 48.0 20.5 502 224 B A E > - 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