==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUL-10 2XMY . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.WANG,G.GRIFFITHS,C.A.MIDGLEY,A.L.BARNETT,M.COOPER,J.GRABAR . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 0 0 2 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 . 1 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 A M 0 0 58 0, 0.0 2,-1.6 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-155.0 39.4 31.0 37.8 2 2 A E + 0 0 168 2,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.339 360.0 57.4 94.3 -50.4 39.8 31.2 41.6 3 3 A N S S+ 0 0 90 -2,-1.6 21,-3.1 20,-0.0 2,-0.4 0.236 99.6 84.6 -82.9 6.6 37.3 34.0 42.0 4 4 A F E -A 23 0A 14 19,-0.2 2,-0.5 20,-0.1 -2,-0.5 -0.941 61.0-159.8-124.9 144.1 34.8 31.7 40.4 5 5 A Q E -A 22 0A 99 17,-1.2 17,-2.1 -2,-0.4 2,-0.1 -0.969 22.9-132.6-127.8 106.8 32.6 29.0 41.8 6 6 A K E +A 21 0A 57 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.364 27.8 172.7 -66.5 140.8 31.3 26.4 39.3 7 7 A V E - 0 0 52 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.680 59.5 -26.1-123.9 -30.8 27.7 25.6 39.6 8 8 A E E -A 20 0A 104 12,-1.7 12,-3.3 0, 0.0 2,-0.5 -0.944 58.0 -98.8-175.9 161.4 27.0 23.4 36.6 9 9 A K E +A 19 0A 88 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.720 32.0 173.1 -84.2 128.9 28.0 22.4 33.1 10 10 A I E - 0 0 66 8,-2.9 2,-0.2 -2,-0.5 9,-0.2 0.333 63.5 -4.2-115.8 2.2 25.8 24.1 30.5 11 11 A G E -A 18 0A 25 7,-1.1 7,-2.9 2,-0.0 2,-0.7 -0.800 43.0-137.3 170.9 143.5 27.7 23.0 27.4 12 12 A E - 0 0 59 5,-0.2 5,-0.2 -2,-0.2 146,-0.1 -0.698 45.3-169.1-110.7 74.9 30.6 21.3 25.8 13 13 A G - 0 0 19 -2,-0.7 145,-0.2 3,-0.4 -2,-0.0 0.142 36.3 -97.6 -55.0 177.6 31.2 23.9 23.2 14 14 A T S S+ 0 0 11 1,-0.2 143,-0.3 142,-0.1 -1,-0.1 0.760 120.7 37.8 -75.0 -24.4 33.6 23.3 20.4 15 15 A Y S S- 0 0 25 1,-0.2 21,-1.6 141,-0.1 2,-0.3 0.801 127.6 -33.8-101.5 -33.4 36.4 25.1 22.1 16 16 A G E S- B 0 35A 0 19,-0.2 -3,-0.4 140,-0.0 2,-0.2 -0.873 77.1 -59.8-161.1-163.4 36.1 24.1 25.7 17 17 A V E - B 0 34A 12 17,-0.9 17,-1.4 -2,-0.3 2,-0.5 -0.633 43.2-143.8 -87.2 155.8 33.7 23.3 28.4 18 18 A V E -AB 11 33A 25 -7,-2.9 -8,-2.9 -2,-0.2 -7,-1.1 -0.972 20.1-176.7-125.8 115.3 31.1 25.9 29.4 19 19 A Y E -AB 9 32A 52 13,-3.4 13,-3.6 -2,-0.5 2,-0.5 -0.876 30.3-125.9-107.1 142.3 30.1 26.2 33.1 20 20 A K E +AB 8 31A 40 -12,-3.3 -13,-3.4 -2,-0.4 -12,-1.7 -0.783 46.3 177.9 -73.7 133.8 27.6 28.3 34.9 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.8 -2,-0.5 2,-0.5 -0.938 29.6-132.0-147.3 150.7 29.7 30.0 37.5 22 22 A R E -AB 5 29A 115 -17,-2.1 -17,-1.2 -2,-0.3 2,-0.4 -0.947 22.8-129.5-116.2 115.6 29.2 32.5 40.4 23 23 A N E > -A 4 0A 29 5,-3.4 4,-2.4 -2,-0.5 -19,-0.2 -0.552 18.7-148.4 -69.6 125.9 31.7 35.4 40.7 24 24 A K T 4 S+ 0 0 127 -21,-3.1 -1,-0.1 -2,-0.4 -20,-0.1 0.537 87.7 34.1 -97.8 -12.0 32.8 35.3 44.2 25 25 A L T 4 S+ 0 0 154 -22,-0.3 -1,-0.1 3,-0.1 -2,-0.0 0.711 127.2 32.8 -80.1 -87.0 33.3 39.0 44.8 26 26 A T T 4 S- 0 0 101 1,-0.2 -2,-0.2 -4,-0.0 3,-0.1 0.538 95.5-134.0 -53.6 -13.1 30.7 40.7 42.6 27 27 A G < + 0 0 49 -4,-2.4 -1,-0.2 1,-0.2 2,-0.2 0.609 54.2 145.0 67.9 12.8 28.1 37.9 43.1 28 28 A E - 0 0 110 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.4 -0.521 47.9-133.6 -81.0 143.7 27.3 37.8 39.4 29 29 A V E +B 22 0A 33 -7,-0.3 51,-0.7 -2,-0.2 2,-0.3 -0.886 36.7 170.1 -94.6 136.4 26.4 34.5 37.7 30 30 A V E -BC 21 79A 4 -9,-2.8 -9,-2.6 -2,-0.4 2,-0.6 -0.837 40.1-106.8-139.0 164.1 28.3 34.2 34.5 31 31 A A E -BC 20 78A 11 47,-2.0 47,-2.8 -2,-0.3 2,-0.6 -0.966 36.1-158.6 -98.1 119.7 29.0 31.5 31.8 32 32 A L E -BC 19 77A 0 -13,-3.6 -13,-3.4 -2,-0.6 2,-0.6 -0.913 6.5-167.0-106.2 118.8 32.6 30.4 32.1 33 33 A K E -BC 18 76A 1 43,-2.4 43,-2.4 -2,-0.6 2,-0.7 -0.914 6.9-156.9-106.2 110.7 34.3 28.8 29.1 34 34 A K E -BC 17 75A 40 -17,-1.4 -17,-0.9 -2,-0.6 2,-0.3 -0.787 18.4-143.1 -82.2 119.9 37.6 27.1 29.9 35 35 A I E -BC 16 74A 4 39,-3.2 39,-1.2 -2,-0.7 2,-1.0 -0.692 6.2-133.2 -94.1 139.7 39.5 27.0 26.6 36 36 A R E - C 0 73A 98 -21,-1.6 37,-0.1 -2,-0.3 2,-0.1 -0.742 24.6-144.9-100.6 96.0 41.5 23.9 25.8 37 37 A L - 0 0 20 35,-1.2 5,-0.1 -2,-1.0 35,-0.1 -0.328 10.4-132.4 -83.6 145.1 44.9 25.1 24.6 38 38 A D 0 0 165 -2,-0.1 -1,-0.1 3,-0.0 4,-0.1 0.899 360.0 360.0 -64.7 -54.2 46.9 23.2 21.9 39 39 A T 0 0 120 2,-0.4 -2,-0.1 0, 0.0 3,-0.0 0.388 360.0 360.0-110.4 360.0 50.2 23.2 23.7 40 ! 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 41 43 A G 0 0 51 0, 0.0 -2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -95.6 50.8 27.4 24.7 42 44 A V - 0 0 21 -5,-0.1 5,-0.1 -4,-0.1 29,-0.1 -0.901 360.0-120.7-124.1 116.4 48.2 30.0 23.9 43 45 A P > - 0 0 66 0, 0.0 4,-1.6 0, 0.0 3,-0.2 -0.256 11.8-135.6 -53.1 132.2 49.1 31.9 20.7 44 46 A S H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.735 106.9 58.5 -55.8 -27.2 49.5 35.6 21.5 45 47 A T H > S+ 0 0 71 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.888 101.0 52.6 -77.4 -39.8 47.5 36.2 18.3 46 48 A A H > S+ 0 0 0 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.897 110.7 50.8 -51.2 -42.6 44.6 34.2 19.7 47 49 A I H X S+ 0 0 38 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.886 113.7 41.8 -65.4 -44.0 45.0 36.5 22.8 48 50 A R H X S+ 0 0 151 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.862 115.0 52.1 -71.9 -36.2 44.9 39.7 20.6 49 51 A E H X S+ 0 0 58 -4,-3.2 4,-1.1 2,-0.2 -2,-0.2 0.948 113.6 43.6 -60.4 -50.6 42.1 38.3 18.5 50 52 A I H X S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.854 107.9 59.9 -63.7 -38.6 40.0 37.5 21.6 51 53 A S H >< S+ 0 0 42 -4,-1.8 3,-1.6 1,-0.2 4,-0.3 0.902 98.5 56.8 -60.7 -37.7 40.9 40.9 23.1 52 54 A L H >< S+ 0 0 126 -4,-1.6 3,-1.8 1,-0.3 4,-0.4 0.894 98.8 62.7 -65.6 -33.1 39.3 42.8 20.2 53 55 A L H >< S+ 0 0 20 -4,-1.1 3,-0.9 1,-0.3 11,-0.3 0.697 85.9 72.9 -55.5 -27.2 36.0 40.9 20.9 54 56 A K T << S+ 0 0 71 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.701 102.3 43.6 -65.9 -19.2 35.8 42.5 24.3 55 57 A E T < S+ 0 0 144 -3,-1.8 2,-1.8 -4,-0.3 -1,-0.3 0.478 86.0 95.6 -98.4 -13.5 34.9 45.7 22.5 56 58 A L < + 0 0 14 -3,-0.9 2,-0.5 -4,-0.4 8,-0.2 -0.603 59.2 165.7 -84.5 78.4 32.4 44.2 20.0 57 59 A N + 0 0 64 -2,-1.8 5,-0.1 6,-0.1 -3,-0.0 -0.838 7.1 148.1-109.0 127.7 29.4 45.0 22.2 58 60 A H > - 0 0 42 -2,-0.5 3,-2.4 3,-0.4 54,-0.0 -0.973 55.0-113.6-156.6 142.7 25.8 44.8 21.0 59 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.654 119.7 48.2 -47.2 -28.3 22.4 44.0 22.6 60 62 A N T 3 S+ 0 0 11 80,-0.1 81,-3.0 48,-0.1 2,-0.4 0.158 97.3 80.5-104.7 16.7 22.2 40.9 20.4 61 63 A I B < S-e 141 0B 10 -3,-2.4 2,-0.4 79,-0.3 -3,-0.4 -0.990 91.2-111.5-118.6 127.3 25.8 39.7 21.1 62 64 A V - 0 0 7 79,-3.1 82,-0.2 -2,-0.4 81,-0.1 -0.476 46.5-113.1 -56.2 112.6 26.4 37.7 24.3 63 65 A K - 0 0 96 -2,-0.4 16,-2.4 1,-0.1 2,-0.8 -0.279 18.1-140.7 -57.3 123.9 28.6 40.2 26.3 64 66 A L E -D 78 0A 10 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.840 22.0-177.4 -77.3 109.2 32.2 39.1 26.8 65 67 A L E - 0 0 50 12,-2.4 2,-0.3 -2,-0.8 13,-0.2 0.945 58.4 -14.6 -79.3 -47.2 32.8 40.3 30.3 66 68 A D E -D 77 0A 86 11,-1.5 11,-3.0 2,-0.0 2,-0.5 -0.989 49.4-143.3-157.1 148.8 36.5 39.3 30.8 67 69 A V E -D 76 0A 25 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.990 23.0-166.8-116.2 123.3 39.2 37.2 29.2 68 70 A I E -D 75 0A 51 7,-3.2 7,-2.4 -2,-0.5 2,-0.4 -0.948 0.8-160.9-126.6 124.6 41.5 35.5 31.8 69 71 A H E +D 74 0A 94 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.805 18.9 158.6-108.9 131.5 44.8 33.9 30.8 70 72 A T E > -D 73 0A 96 3,-2.5 3,-2.4 -2,-0.4 -2,-0.0 -0.698 59.7 -70.2-151.8 114.7 46.9 31.4 32.7 71 73 A E T 3 S- 0 0 161 1,-0.3 -1,-0.3 -2,-0.2 -34,-0.0 -0.222 117.1 -6.9 46.1-128.6 49.5 29.0 31.2 72 74 A N T 3 S+ 0 0 75 -3,-0.1 -35,-1.2 -35,-0.1 2,-0.4 0.321 125.5 77.9 -84.3 10.4 47.7 26.3 29.1 73 75 A K E < -CD 36 70A 77 -3,-2.4 -3,-2.5 -37,-0.1 2,-0.4 -0.980 55.3-176.8-117.4 127.3 44.2 27.4 30.3 74 76 A L E -CD 35 69A 0 -39,-1.2 -39,-3.2 -2,-0.4 2,-0.4 -0.903 11.5-157.4-107.1 146.7 42.4 30.5 28.9 75 77 A Y E -CD 34 68A 28 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.4 -0.996 5.2-160.8-124.5 135.0 39.0 31.4 30.4 76 78 A L E -CD 33 67A 0 -43,-2.4 -43,-2.4 -2,-0.4 2,-0.6 -0.936 8.7-154.9-108.9 133.5 36.3 33.5 28.8 77 79 A V E +CD 32 66A 2 -11,-3.0 -12,-2.4 -2,-0.4 -11,-1.5 -0.955 18.6 179.3-114.0 120.0 33.7 35.0 31.1 78 80 A F E -CD 31 64A 22 -47,-2.8 -47,-2.0 -2,-0.6 -14,-0.2 -0.781 37.2 -96.3-115.6 152.0 30.4 35.8 29.4 79 81 A E E -C 30 0A 48 -16,-2.4 2,-0.4 -2,-0.3 -49,-0.2 -0.468 49.4-118.0 -57.8 146.3 27.1 37.2 30.6 80 82 A F - 0 0 32 -51,-0.7 2,-0.3 -2,-0.1 -51,-0.1 -0.745 30.2-174.1 -96.8 131.2 24.8 34.4 31.5 81 83 A L - 0 0 14 -2,-0.4 53,-0.2 53,-0.1 3,-0.1 -0.858 27.3-125.4-117.6 161.5 21.5 33.9 29.7 82 84 A H S S+ 0 0 96 51,-0.7 2,-0.3 -2,-0.3 52,-0.1 0.569 75.7 14.3 -95.5 -6.1 19.1 31.2 30.8 83 85 A Q E -F 133 0B 10 50,-0.9 50,-3.0 211,-0.0 2,-0.2 -0.990 60.1-128.7-162.6 151.2 18.4 29.1 27.8 84 86 A D E > -F 132 0B 41 -2,-0.3 4,-2.0 48,-0.2 48,-0.2 -0.643 30.2-115.9-103.8 163.8 19.5 28.2 24.3 85 87 A L H > S+ 0 0 0 46,-2.2 4,-3.1 43,-1.2 5,-0.2 0.857 113.0 60.1 -69.6 -35.4 17.4 28.1 21.2 86 88 A K H > S+ 0 0 90 42,-1.0 4,-2.8 45,-0.2 -1,-0.2 0.983 110.2 41.4 -52.1 -54.8 17.9 24.4 20.7 87 89 A K H > S+ 0 0 120 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.866 115.2 50.8 -63.9 -36.0 16.3 23.7 24.1 88 90 A F H X S+ 0 0 6 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.900 110.3 50.0 -71.3 -35.1 13.6 26.3 23.5 89 91 A M H >< S+ 0 0 17 -4,-3.1 3,-0.6 2,-0.2 -2,-0.2 0.939 111.7 47.6 -65.3 -50.4 12.8 24.7 20.2 90 92 A D H >< S+ 0 0 94 -4,-2.8 3,-2.5 1,-0.2 4,-0.3 0.976 111.6 50.7 -49.2 -58.2 12.6 21.3 21.8 91 93 A A H 3< S+ 0 0 79 -4,-3.0 -1,-0.2 1,-0.3 3,-0.2 0.705 114.3 45.7 -50.8 -25.8 10.4 22.8 24.5 92 94 A S T > - 0 0 81 0, 0.0 4,-2.0 0, 0.0 3,-1.9 -0.331 29.0-122.0 -59.5 134.9 4.7 31.4 17.3 99 101 A L H 3> S+ 0 0 61 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.829 110.2 59.7 -55.9 -34.2 5.6 33.1 14.0 100 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 188,-0.4 0.855 109.3 44.3 -60.4 -32.1 5.6 36.5 15.5 101 103 A L H <> S+ 0 0 5 -3,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.860 111.4 52.5 -81.4 -34.3 8.4 35.3 17.9 102 104 A I H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.963 111.2 49.0 -58.8 -48.8 10.2 33.6 15.1 103 105 A K H X S+ 0 0 12 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.894 110.8 48.7 -59.6 -47.1 10.1 36.8 13.2 104 106 A S H X S+ 0 0 4 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.923 112.4 48.5 -60.8 -47.5 11.4 38.9 16.2 105 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.914 112.2 48.9 -57.7 -41.9 14.3 36.4 16.8 106 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.953 112.3 49.4 -65.6 -42.1 15.2 36.5 13.1 107 109 A F H X S+ 0 0 51 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.907 111.7 47.4 -61.5 -43.0 15.1 40.3 13.1 108 110 A Q H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.901 112.3 48.9 -69.4 -40.9 17.3 40.6 16.2 109 111 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.861 107.4 54.3 -65.6 -41.2 19.9 38.2 15.0 110 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.865 108.3 51.4 -61.1 -34.7 20.1 39.9 11.7 111 113 A Q H X S+ 0 0 69 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.917 110.6 48.0 -66.4 -46.7 20.8 43.1 13.7 112 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 115.2 44.6 -52.7 -48.3 23.5 41.3 15.6 113 115 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.884 108.4 57.1 -70.6 -38.6 25.0 40.0 12.4 114 116 A A H X S+ 0 0 16 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.954 110.4 46.3 -55.5 -51.8 24.7 43.4 10.7 115 117 A F H X S+ 0 0 47 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.940 113.7 45.4 -51.7 -56.9 26.8 44.8 13.5 116 118 A C H <>S+ 0 0 0 -4,-2.3 5,-3.2 1,-0.2 -1,-0.2 0.886 113.8 49.3 -57.6 -46.4 29.5 42.1 13.5 117 119 A H H ><5S+ 0 0 30 -4,-2.5 3,-1.3 3,-0.3 -1,-0.2 0.775 104.4 57.9 -66.5 -36.8 29.9 42.1 9.8 118 120 A S H 3<5S+ 0 0 58 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.829 110.2 46.2 -61.4 -28.7 30.1 46.0 9.7 119 121 A H T 3<5S- 0 0 86 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.219 121.0-115.2 -91.4 15.9 33.2 45.4 12.0 120 122 A R T < 5S+ 0 0 195 -3,-1.3 2,-0.5 1,-0.2 -3,-0.3 0.748 70.8 139.3 54.2 28.5 34.4 42.6 9.6 121 123 A V < - 0 0 31 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.900 35.6-160.8-100.9 134.4 33.9 39.9 12.3 122 124 A L - 0 0 10 -2,-0.5 26,-0.3 1,-0.2 23,-0.2 -0.767 17.7-154.3-111.3 151.1 32.4 36.6 11.2 123 125 A H - 0 0 1 -2,-0.3 24,-0.5 21,-0.2 22,-0.3 0.934 19.5-176.6 -84.9 -51.1 30.7 34.0 13.5 124 126 A R S S+ 0 0 55 56,-0.1 -1,-0.1 55,-0.1 20,-0.1 0.040 70.7 54.7 78.6 -20.0 31.5 31.0 11.1 125 127 A D + 0 0 21 18,-0.1 2,-0.2 42,-0.1 5,-0.1 -0.218 66.0 165.1-138.4 48.2 29.6 28.6 13.4 126 128 A L + 0 0 1 40,-0.2 40,-0.1 3,-0.1 17,-0.1 -0.463 14.8 147.5 -65.3 136.3 26.0 29.8 14.0 127 129 A K > - 0 0 14 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.971 61.9 -97.0-163.6 165.7 23.7 27.1 15.4 128 130 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -43,-1.2 0.850 121.1 59.1 -59.8 -30.3 20.7 26.8 17.7 129 131 A Q G 3 S+ 0 0 60 1,-0.2 -3,-0.1 -44,-0.2 -116,-0.0 0.674 106.0 50.0 -64.8 -19.3 23.0 25.8 20.6 130 132 A N G < S+ 0 0 13 -3,-1.9 12,-2.2 -5,-0.1 2,-0.6 0.275 91.3 87.8 -99.6 -1.9 24.9 29.2 20.2 131 133 A L E < - G 0 141B 0 -3,-1.3 -46,-2.2 -4,-0.3 2,-0.4 -0.935 64.8-165.2-105.8 114.5 21.7 31.3 20.2 132 134 A L E -FG 84 140B 36 8,-2.3 8,-2.4 -2,-0.6 2,-0.3 -0.818 2.5-160.1-112.1 140.9 20.8 32.2 23.7 133 135 A I E -FG 83 139B 0 -50,-3.0 -50,-0.9 -2,-0.4 -51,-0.7 -0.796 3.6-160.2-119.7 156.7 17.5 33.6 24.9 134 136 A N > - 0 0 24 4,-1.5 3,-1.5 -2,-0.3 4,-0.1 -0.833 36.6-102.5-130.3 172.2 16.2 35.5 27.9 135 137 A T T 3 S+ 0 0 72 1,-0.3 159,-0.1 -2,-0.3 -54,-0.0 0.679 112.6 65.4 -69.6 -19.3 12.8 36.1 29.5 136 138 A E T 3 S- 0 0 136 155,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.309 120.2 -99.0 -91.4 11.1 12.5 39.6 28.1 137 139 A G S < S+ 0 0 0 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.579 77.5 135.8 88.1 12.1 12.3 38.4 24.6 138 140 A A - 0 0 11 -4,-0.1 -4,-1.5 151,-0.1 2,-0.3 -0.579 35.3-162.3 -88.1 154.4 15.8 39.0 23.5 139 141 A I E - G 0 133B 0 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.993 11.5-167.1-133.6 141.9 18.0 36.6 21.5 140 142 A K E - G 0 132B 27 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.4 -0.977 23.5-119.0-136.5 143.9 21.8 36.8 21.3 141 143 A L E -eG 61 131B 0 -81,-3.0 -79,-3.1 -2,-0.4 2,-0.3 -0.650 37.3-173.2 -78.1 128.8 24.7 35.5 19.4 142 144 A A + 0 0 12 -12,-2.2 3,-0.2 -2,-0.4 -12,-0.1 -0.821 57.5 31.8-117.7 160.5 27.2 33.5 21.5 143 145 A D S S+ 0 0 22 -2,-0.3 2,-0.4 1,-0.2 3,-0.4 0.912 87.1 178.5 71.7 41.6 30.6 31.8 21.0 144 146 A F - 0 0 12 1,-0.2 -1,-0.2 -3,-0.2 -21,-0.2 -0.703 49.9 -7.0-108.3 125.4 31.2 34.6 18.5 145 147 A G S > S+ 0 0 8 -2,-0.4 4,-1.0 -22,-0.3 -1,-0.2 0.514 94.4 118.2 70.0 4.6 34.3 35.3 16.5 146 148 A L H > + 0 0 2 -3,-0.4 4,-1.6 1,-0.2 -2,-0.1 0.777 63.7 63.6 -69.4 -27.8 36.0 32.5 18.4 147 149 A A H 4 S+ 0 0 9 -24,-0.5 -1,-0.2 -4,-0.3 3,-0.2 0.936 103.1 46.0 -65.1 -44.9 36.5 30.5 15.2 148 150 A R H 4 S+ 0 0 148 -26,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 106.4 61.0 -63.0 -33.9 38.9 33.1 13.7 149 151 A A H < S- 0 0 11 -4,-1.0 -1,-0.2 -100,-0.1 -2,-0.2 0.905 131.9 -10.8 -63.2 -40.5 40.8 33.4 17.0 150 152 A F S < S- 0 0 49 -4,-1.6 2,-0.3 -3,-0.2 -3,-0.1 0.050 92.5 -92.2-115.3-136.2 41.7 29.7 16.7 151 153 A G - 0 0 46 -2,-0.1 -3,-0.1 -136,-0.0 -4,-0.0 -0.936 34.0-108.0-136.6 167.8 40.3 27.1 14.3 152 154 A V - 0 0 53 -2,-0.3 -137,-0.1 4,-0.0 4,-0.1 -0.796 29.1-143.2 -94.3 110.2 37.3 24.8 14.7 153 155 A P - 0 0 61 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.369 13.3-133.8 -63.7 149.2 38.2 21.1 15.2 154 156 A V S S+ 0 0 114 1,-0.2 8,-1.6 7,-0.1 2,-0.5 0.779 102.4 42.9 -72.6 -29.6 36.0 18.5 13.6 155 157 A R B S-H 161 0C 129 6,-0.2 -1,-0.2 -141,-0.0 6,-0.2 -0.979 86.2-145.0-116.4 116.9 36.1 16.6 16.9 156 158 A T > - 0 0 6 4,-1.2 3,-1.9 -2,-0.5 -141,-0.1 -0.282 36.0 -98.5 -67.4 162.0 35.8 18.7 20.1 157 159 A Y T 3 S+ 0 0 72 -143,-0.3 -1,-0.1 1,-0.3 -143,-0.1 0.640 122.9 64.7 -52.1 -16.7 37.9 17.7 23.2 158 160 A T T 3 S- 0 0 27 -145,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.530 108.5-120.0 -91.4 -11.9 34.6 16.1 24.4 159 161 A H S < S+ 0 0 142 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.705 72.0 130.3 72.3 19.9 34.3 13.5 21.6 160 162 A E - 0 0 110 -148,-0.1 -4,-1.2 -4,-0.0 -1,-0.3 -0.894 63.3-113.6 -93.0 136.0 31.0 14.9 20.5 161 163 A V B -H 155 0C 103 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.403 25.5-117.6 -69.9 141.7 30.8 15.5 16.7 162 164 A V - 0 0 14 -8,-1.6 2,-0.2 -2,-0.1 -1,-0.1 -0.633 34.5-113.7 -77.7 137.4 30.6 19.1 15.4 163 165 A T - 0 0 33 -2,-0.3 3,-0.2 1,-0.1 41,-0.1 -0.519 27.7-175.3 -77.4 137.4 27.3 19.7 13.6 164 166 A L > + 0 0 16 39,-0.5 3,-1.8 -2,-0.2 -1,-0.1 0.292 58.0 104.5-104.1 3.0 27.5 20.4 9.9 165 167 A W T 3 S+ 0 0 88 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.747 85.8 40.0 -65.3 -23.3 23.8 21.1 9.5 166 168 A Y T 3 S+ 0 0 12 -3,-0.2 2,-0.4 34,-0.1 -1,-0.3 0.255 85.0 126.4-110.5 13.6 24.3 24.8 9.3 167 169 A R < - 0 0 48 -3,-1.8 -42,-0.1 18,-0.1 16,-0.1 -0.561 60.3-120.6 -87.7 127.6 27.4 25.0 7.2 168 170 A A >> - 0 0 0 -2,-0.4 4,-1.6 14,-0.2 3,-1.2 -0.274 23.0-120.7 -57.8 142.4 27.4 27.2 4.0 169 171 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 6,-0.1 0.800 110.0 62.8 -57.7 -32.6 28.2 25.2 0.8 170 172 A E H 34>S+ 0 0 2 2,-0.2 5,-2.6 1,-0.2 -2,-0.0 0.759 105.0 47.9 -67.1 -24.0 31.3 27.3 -0.0 171 173 A I H X45S+ 0 0 29 -3,-1.2 3,-1.4 3,-0.2 -1,-0.2 0.906 112.3 48.3 -77.9 -43.1 32.9 26.0 3.2 172 174 A L H 3<5S+ 0 0 6 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.762 106.9 55.7 -66.5 -30.4 31.9 22.5 2.3 173 175 A L T 3<5S- 0 0 0 -4,-2.0 60,-2.4 -5,-0.2 61,-0.4 0.281 123.8-107.4 -90.6 7.3 33.3 22.9 -1.2 174 176 A G T < 5 + 0 0 11 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.634 56.4 166.6 86.2 24.1 36.5 23.9 0.4 175 177 A C < - 0 0 38 -5,-2.6 3,-0.3 -6,-0.1 -1,-0.2 -0.458 20.7-160.2 -68.8 138.2 36.8 27.6 -0.1 176 178 A K S S+ 0 0 157 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.821 79.9 45.5 -92.8 -37.4 39.5 29.1 2.1 177 179 A Y S S+ 0 0 215 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 -0.618 77.0 167.1-114.6 61.4 38.6 32.7 2.2 178 180 A Y - 0 0 61 -2,-0.6 2,-0.2 -3,-0.3 -2,-0.0 -0.194 20.6-136.6 -82.7 172.4 34.8 32.7 2.8 179 181 A S > - 0 0 48 -55,-0.0 3,-2.1 -2,-0.0 4,-0.3 -0.520 35.3 -75.5-121.7-176.2 32.8 35.8 3.8 180 182 A T T >> S+ 0 0 53 1,-0.3 3,-1.6 -2,-0.2 4,-1.0 0.710 113.0 82.0 -52.7 -23.7 30.1 37.1 6.0 181 183 A A H 3> S+ 0 0 7 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.736 76.6 70.2 -65.0 -18.7 27.7 35.3 3.7 182 184 A V H <> S+ 0 0 1 -3,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.832 97.7 49.9 -65.8 -31.0 28.4 32.1 5.6 183 185 A D H <> S+ 0 0 0 -3,-1.6 4,-2.3 -4,-0.3 -1,-0.2 0.841 106.3 54.7 -75.8 -38.5 26.5 33.4 8.6 184 186 A I H X S+ 0 0 2 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.891 108.5 50.6 -57.3 -43.5 23.5 34.5 6.5 185 187 A W H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 3,-0.4 0.972 110.2 47.9 -58.5 -54.1 23.3 30.9 5.3 186 188 A S H X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.918 111.0 52.4 -56.7 -40.1 23.4 29.4 8.8 187 189 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.871 106.2 52.4 -67.9 -31.7 20.8 31.8 9.9 188 190 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.4 -1,-0.2 0.906 107.9 51.9 -67.2 -36.8 18.5 30.8 7.1 189 191 A C H X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 11,-0.4 0.877 111.8 46.8 -65.2 -34.1 18.9 27.2 8.0 190 192 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.907 109.8 53.2 -73.5 -42.9 17.9 28.1 11.6 191 193 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.967 110.2 48.4 -48.2 -56.6 14.9 30.2 10.4 192 194 A A H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 6,-0.2 0.830 110.6 51.7 -54.1 -40.2 13.7 27.2 8.4 193 195 A E H X S+ 0 0 26 -4,-1.4 4,-2.4 1,-0.2 5,-0.4 0.894 107.2 51.4 -70.9 -41.6 14.1 25.0 11.4 194 196 A M H < S+ 0 0 2 -4,-2.5 -97,-0.6 2,-0.2 -1,-0.2 0.889 114.5 44.9 -55.9 -41.4 12.1 27.3 13.7 195 197 A V H < S+ 0 0 17 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.937 125.8 28.5 -73.4 -43.5 9.3 27.3 11.1 196 198 A T H < S- 0 0 44 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.598 93.9-132.0 -94.9 -19.1 9.1 23.6 10.4 197 199 A R S < S+ 0 0 123 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.1 0.756 79.0 88.5 61.4 32.8 10.4 22.1 13.7 198 200 A R S S- 0 0 203 -5,-0.4 -2,-0.2 -6,-0.2 -1,-0.2 -0.964 89.3 -97.3-145.7 144.3 12.9 19.9 11.8 199 201 A A - 0 0 19 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.266 27.5-141.9 -59.2 138.4 16.4 20.6 10.8 200 202 A L S S+ 0 0 29 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.918 90.6 13.5 -66.7 -49.7 16.6 21.6 7.1 201 203 A F - 0 0 2 -36,-0.3 2,-2.1 2,-0.1 -1,-0.2 -0.710 69.0-177.3-132.9 73.9 19.8 19.8 6.1 202 204 A P + 0 0 40 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.342 17.0 178.0 -77.5 66.8 20.7 17.2 8.8 203 205 A G - 0 0 3 -2,-2.1 -39,-0.5 1,-0.1 -38,-0.2 -0.333 22.7-166.6 -67.2 139.7 24.0 16.0 7.3 204 206 A D S S+ 0 0 136 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.270 76.3 16.7-115.1 11.2 26.0 13.4 9.2 205 207 A S S > S- 0 0 52 1,-0.0 4,-2.0 -41,-0.0 5,-0.1 -0.900 92.3 -94.6-155.6 177.6 29.2 13.8 7.1 206 208 A E H > S+ 0 0 108 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.853 123.2 42.9 -65.6 -37.1 30.5 16.4 4.8 207 209 A I H > S+ 0 0 80 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.847 112.7 51.9 -81.7 -34.8 29.2 14.8 1.6 208 210 A D H > S+ 0 0 34 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.875 111.5 50.5 -61.0 -34.8 25.8 13.8 3.1 209 211 A Q H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.958 113.6 42.5 -71.2 -49.2 25.6 17.5 4.1 210 212 A L H X S+ 0 0 6 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.905 114.3 51.0 -61.2 -42.0 26.4 18.8 0.6 211 213 A F H X S+ 0 0 36 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.894 107.5 53.7 -75.2 -27.5 24.2 16.2 -1.0 212 214 A R H X S+ 0 0 90 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.888 110.1 47.1 -61.1 -44.5 21.3 17.1 1.2 213 215 A I H >X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 3,-0.6 0.952 113.4 50.3 -56.5 -49.5 21.7 20.8 0.2 214 216 A F H 3X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.896 106.4 53.9 -62.5 -43.9 21.8 19.7 -3.5 215 217 A R H 3< S+ 0 0 97 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.850 118.8 34.0 -56.6 -37.4 18.7 17.5 -3.2 216 218 A T H << S+ 0 0 21 -4,-1.2 28,-2.6 -3,-0.6 -2,-0.2 0.906 132.7 27.6 -88.6 -43.8 16.6 20.4 -1.9 217 219 A L H < S- 0 0 6 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.424 113.6-103.5-100.7 -2.8 18.2 23.3 -3.7 218 220 A G < - 0 0 7 -4,-2.3 24,-0.2 24,-0.5 -3,-0.2 0.317 44.6 -69.3 87.6 142.9 19.5 21.6 -6.9 219 221 A T - 0 0 16 22,-2.0 24,-0.1 -4,-0.1 2,-0.1 -0.476 62.8-118.0 -62.3 127.3 23.1 20.7 -7.7 220 222 A P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.394 39.7 173.6 -73.2 145.7 24.8 24.0 -8.2 221 223 A D > - 0 0 68 -2,-0.1 4,-2.5 -3,-0.0 7,-0.2 -0.778 50.3 -83.7-136.9-177.0 26.3 24.8 -11.6 222 224 A E T 4 S+ 0 0 78 -2,-0.2 6,-0.0 2,-0.2 0, 0.0 0.606 122.1 62.0 -67.0 -20.3 28.0 27.8 -13.3 223 225 A V T 4 S+ 0 0 120 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.951 118.7 25.4 -68.9 -54.2 24.5 29.2 -14.2 224 226 A V T 4 S+ 0 0 72 1,-0.2 44,-0.5 43,-0.0 -2,-0.2 0.792 139.1 25.6 -84.3 -19.1 23.5 29.6 -10.6 225 227 A W S >< S- 0 0 12 -4,-2.5 3,-2.6 42,-0.1 4,-0.3 -0.662 76.4-152.9-148.6 78.3 27.0 29.9 -9.1 226 228 A P T 3 S+ 0 0 70 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.332 86.8 22.7 -56.2 126.6 29.7 31.2 -11.4 227 229 A G T > S+ 0 0 34 41,-0.0 3,-1.6 4,-0.0 4,-0.1 0.216 88.8 116.0 100.1 -10.9 33.0 29.8 -10.3 228 230 A V G X + 0 0 0 -3,-2.6 3,-2.1 1,-0.3 6,-0.1 0.879 68.5 57.6 -58.2 -41.6 31.5 26.8 -8.5 229 231 A T G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -4,-0.3 -7,-0.0 0.538 104.0 54.3 -75.9 -8.6 33.0 24.2 -10.7 230 232 A S G < S+ 0 0 104 -3,-1.6 -1,-0.3 5,-0.1 -2,-0.2 0.228 79.7 120.6-105.3 6.1 36.5 25.4 -9.9 231 233 A M S X S- 0 0 29 -3,-2.1 3,-1.5 -4,-0.1 -57,-0.1 -0.410 77.5-106.5 -74.7 156.6 36.2 25.2 -6.2 232 234 A P T 3 S+ 0 0 79 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.829 113.3 29.8 -59.9 -34.6 38.6 23.0 -4.4 233 235 A D T 3 S+ 0 0 81 -60,-2.4 2,-0.3 2,-0.1 -59,-0.1 0.185 87.7 121.2-114.1 16.3 36.3 20.1 -3.5 234 236 A Y < - 0 0 30 -3,-1.5 3,-0.1 -61,-0.4 -61,-0.0 -0.627 44.4-163.4 -77.5 138.2 33.9 20.3 -6.4 235 237 A K > - 0 0 103 -2,-0.3 3,-2.5 1,-0.1 -5,-0.1 -0.993 23.9-142.4-126.5 129.2 33.7 17.1 -8.5 236 238 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.825 102.0 68.9 -58.9 -20.5 32.2 17.0 -12.0 237 239 A S T 3 + 0 0 100 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.362 68.4 126.0 -78.9 -1.1 30.9 13.6 -10.9 238 240 A F S < S- 0 0 11 -3,-2.5 -19,-0.0 1,-0.1 -4,-0.0 -0.418 72.6-105.0 -50.9 136.8 28.4 15.1 -8.4 239 241 A P - 0 0 56 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.406 31.3-124.8 -64.0 144.1 24.9 13.8 -9.1 240 242 A K - 0 0 133 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.839 33.4-177.5 -98.9 96.6 22.7 16.4 -10.8 241 243 A W - 0 0 75 -2,-0.9 -22,-2.0 -30,-0.0 2,-0.2 -0.762 24.4-121.0 -88.2 144.3 19.6 16.9 -8.7 242 244 A A - 0 0 87 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.2 -0.538 35.4 -99.7 -72.9 146.9 16.7 19.3 -9.7 243 245 A R - 0 0 124 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.474 31.9-138.1 -65.5 134.0 15.7 22.1 -7.4 244 246 A Q - 0 0 70 -28,-2.6 2,-0.2 -2,-0.2 -1,-0.0 -0.627 26.2-104.9 -81.2 156.2 12.7 21.6 -5.2 245 247 A D >> - 0 0 97 -2,-0.2 3,-0.9 1,-0.1 4,-0.6 -0.481 19.3-129.6 -79.7 151.6 10.1 24.5 -4.7 246 248 A F H 3> S+ 0 0 21 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.640 105.4 72.6 -79.6 -19.9 10.2 26.4 -1.4 247 249 A S H 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.890 105.2 41.0 -55.3 -35.1 6.5 25.9 -1.0 248 250 A K H <4 S+ 0 0 133 -3,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.696 113.5 54.8 -84.4 -23.3 7.5 22.3 -0.3 249 251 A V H < S+ 0 0 21 -4,-0.6 -2,-0.2 1,-0.2 -3,-0.1 0.889 122.1 13.2 -83.4 -46.5 10.6 23.2 1.9 250 252 A V S >< S- 0 0 1 -4,-2.1 3,-2.4 3,-0.1 -1,-0.2 -0.356 83.5-168.4-134.6 57.4 9.1 25.4 4.6 251 253 A P T 3 + 0 0 70 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.667 68.4 30.7 -79.1 142.3 5.4 25.4 4.7 252 254 A P T 3 S+ 0 0 116 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.666 84.7 119.9-116.5 50.7 3.6 27.1 6.1 253 255 A L < - 0 0 6 -3,-2.4 -3,-0.1 -6,-0.1 5,-0.0 -0.478 65.0-115.0 -66.1 135.3 5.8 30.1 5.9 254 256 A D > - 0 0 61 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.128 30.9 -95.7 -69.2 167.2 4.2 33.0 4.0 255 257 A E H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.798 123.0 52.0 -59.4 -39.0 5.4 34.3 0.7 256 258 A D H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.924 112.9 46.0 -61.0 -45.9 7.5 37.2 2.3 257 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.891 113.0 49.2 -66.5 -42.1 9.3 34.7 4.6 258 260 A R H X S+ 0 0 50 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.864 111.5 49.8 -65.3 -36.6 9.9 32.2 1.8 259 261 A S H X S+ 0 0 49 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.880 112.4 46.8 -68.3 -40.8 11.3 35.0 -0.4 260 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.948 112.3 50.6 -65.9 -46.3 13.6 36.2 2.3 261 263 A L H >X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-0.7 0.921 106.1 55.6 -57.8 -39.6 14.7 32.6 3.0 262 264 A S H 3< S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.887 108.6 48.7 -60.0 -41.0 15.4 32.1 -0.7 263 265 A Q H 3< S+ 0 0 67 -4,-1.6 10,-2.3 1,-0.2 3,-0.4 0.754 109.2 51.6 -70.5 -22.5 17.7 35.0 -0.6 264 266 A M H << S+ 0 0 0 -4,-1.3 -76,-0.2 -3,-0.7 -1,-0.2 0.696 112.2 48.5 -84.0 -21.4 19.5 33.8 2.5 265 267 A L S < S+ 0 0 6 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.127 75.7 137.5-108.6 15.9 20.0 30.5 0.8 266 268 A H - 0 0 61 -3,-0.4 6,-0.1 1,-0.1 -3,-0.1 -0.385 53.0-136.5 -57.1 134.4 21.4 31.6 -2.5 267 269 A Y S S+ 0 0 13 -50,-0.1 -97,-0.2 -43,-0.1 -1,-0.1 0.955 88.5 72.3 -57.0 -54.8 24.3 29.4 -3.6 268 270 A D S >> S- 0 0 16 -44,-0.5 3,-1.7 1,-0.2 4,-1.5 -0.576 76.3-148.4 -72.9 117.5 26.5 32.2 -4.8 269 271 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.751 98.5 57.5 -60.9 -21.0 27.7 34.0 -1.6 270 272 A N T 34 S+ 0 0 146 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.711 108.6 42.8 -81.0 -20.9 27.8 37.2 -3.7 271 273 A K T <4 S+ 0 0 105 -3,-1.7 -1,-0.2 2,-0.1 2,-0.1 0.629 92.3 107.5 -93.5 -17.9 24.1 36.9 -4.6 272 274 A R S < S- 0 0 13 -4,-1.5 -8,-0.2 -6,-0.1 -9,-0.1 -0.427 82.3-104.7 -61.3 136.5 23.2 35.9 -1.0 273 275 A I - 0 0 21 -10,-2.3 -1,-0.1 -13,-0.2 2,-0.1 -0.120 31.9-123.5 -62.6 146.1 21.4 38.8 0.9 274 276 A S > - 0 0 63 1,-0.1 4,-1.8 -3,-0.1 -1,-0.1 -0.397 20.7-114.7 -82.6 168.7 23.4 40.7 3.4 275 277 A A H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -161,-0.2 0.916 118.2 51.9 -66.7 -44.5 22.2 41.0 7.0 276 278 A K H > S+ 0 0 136 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.913 110.8 45.1 -58.7 -47.2 21.7 44.7 6.5 277 279 A A H >4 S+ 0 0 49 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.867 108.1 59.4 -63.2 -36.6 19.6 44.3 3.3 278 280 A A H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 6,-0.2 0.853 95.9 62.2 -58.2 -36.5 17.6 41.5 5.1 279 281 A L H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.805 103.8 49.4 -64.5 -27.9 16.6 43.9 7.8 280 282 A A T << S+ 0 0 87 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.412 83.9 122.5 -89.6 1.4 14.8 46.0 5.1 281 283 A H S X S- 0 0 19 -3,-1.6 3,-2.2 -4,-0.3 4,-0.1 -0.342 74.9-118.0 -63.7 147.3 12.9 43.0 3.6 282 284 A P G > S+ 0 0 73 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.708 108.3 77.1 -58.0 -24.5 9.1 43.3 3.6 283 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.2 -26,-0.1 0.801 95.0 50.5 -53.0 -30.3 8.9 40.2 5.9 284 286 A F G X S+ 0 0 12 -3,-2.2 3,-1.3 -6,-0.2 -1,-0.2 0.295 77.7 101.3 -97.3 14.9 9.9 42.7 8.7 285 287 A Q T < S+ 0 0 173 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.919 93.2 33.6 -62.0 -40.9 7.3 45.3 7.9 286 288 A D T 3 S+ 0 0 103 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.001 87.5 152.1-102.5 32.1 5.1 44.0 10.8 287 289 A V < + 0 0 44 -3,-1.3 2,-0.3 -184,-0.1 -186,-0.1 -0.336 14.5 170.3 -66.1 142.4 7.8 43.0 13.2 288 290 A T - 0 0 79 -188,-0.4 -2,-0.0 -2,-0.0 -1,-0.0 -0.849 34.5-118.5-136.8 171.9 7.1 43.0 16.9 289 291 A K - 0 0 129 -2,-0.3 -188,-0.1 -185,-0.1 2,-0.1 -0.767 35.3-178.4-120.8 89.6 8.9 41.8 20.1 290 292 A P - 0 0 37 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.359 28.7-110.6 -77.1 167.0 6.9 39.2 21.9 291 293 A V - 0 0 112 -2,-0.1 -155,-0.1 1,-0.0 -156,-0.1 -0.811 30.2-132.3 -92.6 127.6 7.8 37.5 25.2 292 294 A P - 0 0 10 0, 0.0 2,-0.9 0, 0.0 -155,-0.0 -0.389 16.6-118.8 -73.7 161.2 8.6 33.8 25.1 293 295 A H - 0 0 143 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.903 43.6-175.5 -95.7 99.8 7.1 31.3 27.5 294 296 A L - 0 0 26 -2,-0.9 2,-0.7 -159,-0.1 -206,-0.0 -0.889 17.7-156.0-104.2 130.7 10.4 30.2 29.0 295 297 A R 0 0 191 -2,-0.5 -2,-0.0 1,-0.2 -204,-0.0 -0.878 360.0 360.0-110.4 101.7 10.4 27.4 31.6 296 298 A L 0 0 120 -2,-0.7 -1,-0.2 -213,-0.0 0, 0.0 0.836 360.0 360.0-103.2 360.0 13.4 27.7 33.8