==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-05 2FBY . COMPND 2 MOLECULE: WERNER SYNDROME HELICASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.PERRY . 196 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 7.7 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 1 0 2 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 36 A H 0 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.7 -15.1 6.6 7.6 2 37 A H - 0 0 96 0, 0.0 5,-0.0 0, 0.0 0, 0.0 -0.988 360.0-101.9-162.2 153.6 -16.8 10.0 7.4 3 38 A S > - 0 0 61 -2,-0.3 3,-0.8 1,-0.1 4,-0.1 -0.138 37.1-107.3 -72.4 169.4 -20.1 11.7 6.7 4 39 A V G > S+ 0 0 120 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.863 121.7 62.1 -64.0 -34.7 -21.1 13.5 3.6 5 40 A F G 3 S+ 0 0 192 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.750 102.1 51.8 -62.6 -23.9 -20.7 16.7 5.6 6 41 A E G < S+ 0 0 118 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.384 84.2 121.4 -94.9 2.7 -17.1 15.8 6.0 7 42 A D S < S- 0 0 71 -3,-1.8 2,-0.5 -4,-0.1 -3,-0.0 -0.246 74.6-102.6 -63.5 154.2 -16.4 15.3 2.3 8 43 A D - 0 0 126 1,-0.0 -1,-0.1 145,-0.0 3,-0.1 -0.705 42.7-150.9 -80.6 123.5 -13.8 17.4 0.6 9 44 A L - 0 0 59 -2,-0.5 143,-0.2 1,-0.1 144,-0.1 -0.425 26.3 -82.6 -92.2 167.4 -15.5 20.1 -1.4 10 45 A P - 0 0 83 0, 0.0 143,-2.3 0, 0.0 2,-0.2 -0.364 53.9-103.6 -66.6 150.1 -14.4 21.9 -4.6 11 46 A F B -a 153 0A 80 141,-0.2 2,-0.5 -3,-0.1 143,-0.2 -0.531 26.2-120.7 -79.2 141.1 -11.9 24.7 -4.0 12 47 A L + 0 0 5 141,-2.7 143,-0.5 -2,-0.2 2,-0.4 -0.694 38.4 178.0 -78.5 126.8 -13.1 28.3 -4.3 13 48 A E - 0 0 99 -2,-0.5 2,-0.2 141,-0.1 164,-0.1 -0.932 26.6-134.6-139.4 114.2 -11.1 30.0 -7.0 14 49 A F + 0 0 10 -2,-0.4 166,-0.1 162,-0.3 165,-0.1 -0.476 22.9 178.0 -66.1 129.3 -11.5 33.6 -8.2 15 50 A T + 0 0 137 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.216 47.6 94.9-117.9 10.7 -11.5 33.7 -12.0 16 51 A G S S- 0 0 30 1,-0.2 2,-0.5 55,-0.1 57,-0.2 -0.006 91.2 -50.8 -85.9-161.6 -12.1 37.4 -12.5 17 52 A S E -b 73 0B 54 55,-2.6 57,-2.8 1,-0.0 2,-0.7 -0.619 47.6-161.2 -78.7 122.7 -9.6 40.2 -13.1 18 53 A I E -b 74 0B 56 -2,-0.5 2,-0.7 55,-0.2 57,-0.2 -0.915 6.5-158.0-106.9 108.2 -6.7 40.3 -10.5 19 54 A V E -b 75 0B 34 55,-2.7 57,-3.3 -2,-0.7 2,-0.6 -0.784 6.3-161.3 -90.0 112.7 -5.1 43.7 -10.6 20 55 A Y E +b 76 0B 44 -2,-0.7 2,-0.4 55,-0.2 57,-0.2 -0.853 12.4 177.4 -99.8 123.2 -1.5 43.5 -9.2 21 56 A S E +b 77 0B 0 55,-2.8 57,-3.0 -2,-0.6 3,-0.0 -0.989 18.4 163.9-128.9 131.7 0.0 46.8 -8.1 22 57 A Y + 0 0 95 -2,-0.4 2,-0.4 55,-0.2 -1,-0.1 0.155 56.3 82.3-131.9 18.3 3.4 47.3 -6.5 23 58 A D S > S- 0 0 85 1,-0.1 4,-2.7 59,-0.1 5,-0.2 -0.989 72.6-132.6-127.6 136.0 4.0 51.0 -6.9 24 59 A A H > S+ 0 0 16 -2,-0.4 4,-2.6 1,-0.2 64,-0.2 0.894 102.5 42.1 -52.7 -55.2 2.7 53.7 -4.6 25 60 A S H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.894 113.7 52.7 -64.8 -40.2 1.3 56.2 -7.1 26 61 A D H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.974 111.4 49.1 -55.3 -53.1 -0.2 53.5 -9.3 27 62 A C H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.905 109.4 50.6 -52.9 -48.7 -1.9 52.2 -6.1 28 63 A S H X S+ 0 0 24 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.890 112.8 45.5 -59.6 -41.3 -3.3 55.6 -5.2 29 64 A F H X S+ 0 0 126 -4,-2.4 4,-1.7 2,-0.2 3,-0.2 0.885 111.1 53.2 -69.4 -38.0 -4.7 56.1 -8.6 30 65 A L H X S+ 0 0 20 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.896 104.8 56.0 -61.8 -40.2 -6.2 52.6 -8.6 31 66 A S H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.830 106.2 51.1 -62.7 -30.4 -7.8 53.4 -5.3 32 67 A E H X S+ 0 0 106 -4,-1.1 4,-1.7 -3,-0.2 -1,-0.2 0.845 105.8 53.9 -75.3 -32.9 -9.5 56.4 -7.0 33 68 A D H X S+ 0 0 70 -4,-1.7 4,-1.3 2,-0.2 3,-0.4 0.950 108.7 50.8 -62.7 -45.4 -10.7 54.1 -9.8 34 69 A I H >X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 3,-0.9 0.944 108.9 50.9 -55.0 -49.7 -12.3 52.0 -7.0 35 70 A S H 3< S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.788 107.2 53.9 -60.0 -30.1 -13.9 55.0 -5.5 36 71 A M H 3< S+ 0 0 141 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.749 107.9 50.4 -76.9 -23.7 -15.4 56.1 -8.8 37 72 A S H << S+ 0 0 76 -4,-1.3 2,-0.2 -3,-0.9 -1,-0.2 0.603 106.3 67.6 -89.0 -12.2 -17.0 52.7 -9.3 38 73 A L < - 0 0 27 -4,-0.9 2,-0.3 -3,-0.2 60,-0.1 -0.622 63.1-149.5-108.9 167.0 -18.6 52.6 -5.9 39 74 A S > - 0 0 83 -2,-0.2 3,-2.4 58,-0.1 -2,-0.0 -0.893 46.9 -71.1-127.7 157.5 -21.4 54.5 -4.0 40 75 A D T 3 S+ 0 0 139 -2,-0.3 58,-0.2 1,-0.3 57,-0.1 -0.172 121.0 23.4 -49.7 136.2 -21.7 55.3 -0.3 41 76 A G T 3 S+ 0 0 45 56,-2.9 -1,-0.3 1,-0.3 57,-0.1 0.132 86.5 137.7 93.8 -22.6 -22.5 52.2 1.6 42 77 A D < - 0 0 64 -3,-2.4 57,-2.8 55,-0.3 2,-0.4 -0.190 45.6-135.7 -57.4 151.8 -21.1 49.7 -0.9 43 78 A V E -c 99 0B 17 55,-0.2 2,-0.3 -3,-0.1 57,-0.2 -0.929 16.4-167.9-118.6 136.1 -19.1 46.8 0.5 44 79 A V E -c 100 0B 3 55,-2.8 57,-2.9 -2,-0.4 2,-0.3 -0.864 30.0-111.4-116.5 151.6 -15.7 45.4 -0.7 45 80 A G E -cD 101 68B 0 23,-2.7 23,-2.4 -2,-0.3 2,-0.3 -0.671 40.1-159.4 -81.4 139.9 -14.2 42.2 0.4 46 81 A F E + D 0 67B 5 55,-3.1 2,-0.3 -2,-0.3 57,-0.3 -0.922 24.8 138.9-126.5 148.4 -11.0 42.7 2.5 47 82 A D E - D 0 66B 29 19,-1.4 19,-3.3 -2,-0.3 2,-0.3 -0.951 20.6-161.5-170.8 164.9 -8.0 40.8 3.5 48 83 A M E - D 0 65B 2 -2,-0.3 2,-0.3 17,-0.3 17,-0.2 -0.968 7.1-145.8-152.3 162.4 -4.2 41.2 3.9 49 84 A E E - D 0 64B 22 15,-2.0 14,-3.0 -2,-0.3 15,-1.9 -0.934 9.0-171.2-134.3 157.5 -1.1 39.1 4.1 50 85 A W - 0 0 79 -2,-0.3 115,-0.2 12,-0.3 12,-0.2 -0.981 33.3 -93.3-146.4 153.4 2.2 39.2 5.9 51 86 A P - 0 0 19 0, 0.0 9,-0.7 0, 0.0 113,-0.2 -0.208 33.8-121.1 -63.5 158.8 5.5 37.2 5.9 52 87 A P S S+ 0 0 67 0, 0.0 8,-0.1 0, 0.0 112,-0.1 0.829 81.8 93.6 -72.2 -35.8 6.0 34.3 8.3 53 88 A L S S- 0 0 146 6,-0.1 2,-0.1 1,-0.1 7,-0.1 -0.345 75.9-123.5 -64.4 138.1 9.2 35.5 10.1 54 89 A Y - 0 0 170 5,-0.1 2,-0.4 6,-0.1 5,-0.2 -0.463 18.2-151.5 -80.9 153.5 8.5 37.4 13.3 55 90 A N B > -G 58 0C 82 3,-3.0 3,-2.1 -2,-0.1 -1,-0.0 -0.974 66.4 -30.1-132.5 119.9 9.9 40.9 14.0 56 91 A R T 3 S- 0 0 219 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.844 127.5 -41.7 42.2 48.6 10.7 42.3 17.4 57 92 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.451 123.7 84.2 85.8 1.5 8.1 40.2 19.1 58 93 A K B < S-G 55 0C 67 -3,-2.1 -3,-3.0 1,-0.1 -1,-0.2 -0.820 85.0 -76.4-132.8 171.1 5.3 40.5 16.6 59 94 A L - 0 0 62 -2,-0.3 -5,-0.1 -5,-0.2 3,-0.1 -0.220 66.4 -80.8 -60.9 154.5 4.0 39.1 13.3 60 95 A G - 0 0 4 -9,-0.7 -1,-0.1 -8,-0.1 3,-0.1 -0.227 62.0 -88.7 -55.3 149.0 5.8 40.1 10.2 61 96 A K - 0 0 115 1,-0.1 -1,-0.1 -3,-0.1 51,-0.1 -0.311 53.1 -88.1 -62.9 141.6 4.7 43.5 8.9 62 97 A V + 0 0 3 49,-0.2 -12,-0.3 -12,-0.2 -1,-0.1 -0.249 49.6 172.7 -51.0 130.6 1.7 43.6 6.6 63 98 A A + 0 0 1 -14,-3.0 17,-2.1 1,-0.3 2,-0.4 0.600 58.5 36.2-116.6 -21.7 3.0 43.2 3.0 64 99 A L E -D 49 0B 0 -15,-1.9 -15,-2.0 14,-0.2 2,-0.4 -0.996 54.6-167.0-140.2 142.0 -0.2 42.8 1.0 65 100 A I E -DE 48 77B 0 12,-1.8 12,-3.0 -2,-0.4 2,-0.4 -0.997 12.7-160.9-129.0 127.8 -3.6 44.3 1.0 66 101 A Q E -DE 47 76B 0 -19,-3.3 -19,-1.4 -2,-0.4 2,-0.4 -0.915 9.5-178.1-115.0 136.3 -6.5 42.8 -1.0 67 102 A L E -DE 46 75B 1 8,-2.1 8,-3.3 -2,-0.4 2,-0.7 -0.968 9.3-164.6-133.9 116.2 -9.7 44.5 -2.0 68 103 A C E +DE 45 74B 0 -23,-2.4 -23,-2.7 -2,-0.4 6,-0.2 -0.900 12.4 174.5-100.4 114.6 -12.4 42.7 -4.0 69 104 A V E + 0 0 14 4,-1.5 2,-0.3 -2,-0.7 5,-0.1 0.502 62.2 1.4-100.8 -6.0 -14.7 45.4 -5.3 70 105 A S E > S- E 0 73B 35 3,-1.1 3,-1.0 -25,-0.1 -1,-0.2 -0.966 82.3 -90.5-167.2 170.4 -17.0 43.3 -7.5 71 106 A E T 3 S+ 0 0 116 -2,-0.3 -55,-0.1 1,-0.2 3,-0.1 0.695 125.8 40.6 -66.4 -16.2 -17.6 39.7 -8.5 72 107 A S T 3 S+ 0 0 71 1,-0.2 -55,-2.6 -56,-0.1 2,-0.3 0.344 111.2 53.2-115.5 7.7 -15.3 40.3 -11.5 73 108 A K E < +bE 17 70B 61 -3,-1.0 -4,-1.5 -57,-0.2 -3,-1.1 -0.947 47.9 172.9-151.3 128.3 -12.4 42.3 -10.1 74 109 A C E -bE 18 68B 0 -57,-2.8 -55,-2.7 -2,-0.3 2,-0.4 -0.994 19.8-143.2-132.1 138.2 -10.0 42.1 -7.1 75 110 A Y E -bE 19 67B 16 -8,-3.3 -8,-2.1 -2,-0.4 2,-0.6 -0.838 5.0-162.0-105.7 137.5 -7.0 44.3 -6.3 76 111 A L E -bE 20 66B 0 -57,-3.3 -55,-2.8 -2,-0.4 2,-0.8 -0.964 6.5-167.9-117.2 110.4 -3.7 43.2 -4.9 77 112 A F E -bE 21 65B 0 -12,-3.0 2,-2.2 -2,-0.6 -12,-1.8 -0.862 7.3-159.1-103.8 100.2 -1.7 46.1 -3.4 78 113 A H > + 0 0 0 -57,-3.0 3,-1.9 -2,-0.8 4,-0.3 -0.478 20.8 169.4 -79.4 71.6 1.8 44.8 -2.7 79 114 A V G > + 0 0 8 -2,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.746 67.1 69.5 -58.9 -26.6 2.6 47.5 -0.1 80 115 A S G 3 S+ 0 0 50 -17,-2.1 -1,-0.3 1,-0.3 -16,-0.1 0.769 101.4 49.3 -64.5 -21.3 5.9 45.8 1.0 81 116 A S G < S+ 0 0 41 -3,-1.9 2,-0.4 -18,-0.3 -1,-0.3 0.458 94.0 96.7 -94.0 -3.2 7.2 46.7 -2.4 82 117 A M S < S- 0 0 18 -3,-1.5 -59,-0.1 -4,-0.3 3,-0.0 -0.727 70.6-140.3 -93.7 137.0 6.1 50.4 -2.2 83 118 A S S S+ 0 0 114 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.822 90.9 11.4 -61.0 -33.5 8.5 53.1 -1.0 84 119 A V S S- 0 0 90 -3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.963 95.6 -90.5-141.3 155.5 5.7 54.8 1.0 85 120 A F - 0 0 47 -2,-0.3 2,-0.2 1,-0.1 5,-0.0 -0.575 56.6-104.9 -70.4 126.3 2.3 53.6 2.0 86 121 A P > - 0 0 1 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.320 22.5-149.8 -56.8 118.8 -0.0 54.8 -0.8 87 122 A Q H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.828 95.8 56.2 -58.2 -38.4 -2.1 57.8 0.2 88 123 A G H > S+ 0 0 10 -64,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.877 110.1 45.4 -64.5 -36.4 -5.0 56.9 -2.0 89 124 A L H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.870 109.9 54.8 -74.6 -36.7 -5.2 53.5 -0.4 90 125 A K H X S+ 0 0 62 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.943 111.0 45.0 -60.4 -46.0 -4.9 55.0 3.1 91 126 A M H < S+ 0 0 96 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.871 112.0 51.9 -67.9 -35.2 -7.9 57.3 2.5 92 127 A L H >< S+ 0 0 7 -4,-1.6 3,-1.0 1,-0.2 6,-0.2 0.945 112.8 45.3 -65.4 -45.1 -9.9 54.5 0.9 93 128 A L H 3< S+ 0 0 0 -4,-2.8 28,-2.9 1,-0.2 -2,-0.2 0.836 116.1 46.0 -67.3 -31.9 -9.3 52.3 4.0 94 129 A E T 3< S+ 0 0 59 -4,-2.1 2,-0.7 26,-0.2 -1,-0.2 0.386 89.3 109.6 -90.3 3.4 -10.1 55.2 6.4 95 130 A N X - 0 0 66 -3,-1.0 3,-1.6 -4,-0.4 26,-0.1 -0.717 54.2-161.4 -88.2 113.6 -13.2 56.2 4.4 96 131 A K T 3 S+ 0 0 147 -2,-0.7 -1,-0.2 1,-0.3 -55,-0.2 0.698 85.6 75.8 -63.2 -18.8 -16.4 55.4 6.2 97 132 A A T 3 S+ 0 0 19 -57,-0.1 -56,-2.9 1,-0.1 2,-0.5 0.762 92.6 57.6 -64.8 -26.2 -18.2 55.7 2.9 98 133 A V S < S- 0 0 8 -3,-1.6 2,-0.3 -6,-0.2 -55,-0.2 -0.930 78.1-144.9-112.8 125.8 -16.9 52.3 1.9 99 134 A K E -c 43 0B 48 -57,-2.8 -55,-2.8 -2,-0.5 2,-0.5 -0.689 8.0-153.1 -89.2 138.5 -17.6 49.2 4.0 100 135 A K E -cf 44 123B 1 22,-1.9 24,-2.5 -2,-0.3 2,-0.3 -0.953 11.1-161.2-114.4 118.8 -14.9 46.5 4.2 101 136 A A E +cf 45 124B 0 -57,-2.9 -55,-3.1 -2,-0.5 2,-0.3 -0.783 28.6 116.8-103.3 143.7 -16.1 42.9 4.9 102 137 A G E - f 0 125B 2 22,-1.7 24,-3.0 -2,-0.3 2,-0.5 -0.975 57.5 -90.1-179.3 179.2 -14.0 40.0 6.2 103 138 A V S S+ 0 0 44 -2,-0.3 39,-0.1 -57,-0.3 22,-0.1 -0.959 108.6 9.2-114.0 127.5 -13.5 37.5 9.0 104 139 A G S >> S+ 0 0 41 -2,-0.5 4,-0.9 3,-0.0 3,-0.6 0.731 84.2 145.1 76.5 23.6 -11.2 38.5 11.9 105 140 A I H 3> + 0 0 0 -3,-0.3 4,-2.4 1,-0.2 5,-0.1 0.781 59.4 64.9 -66.7 -28.8 -11.2 42.0 10.5 106 141 A E H 3> S+ 0 0 139 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.889 102.9 50.0 -61.6 -37.1 -11.0 43.6 13.9 107 142 A G H <> S+ 0 0 42 -3,-0.6 4,-2.0 1,-0.2 -1,-0.3 0.790 107.1 54.1 -70.0 -28.0 -7.6 42.0 14.2 108 143 A D H X S+ 0 0 15 -4,-0.9 4,-2.8 2,-0.2 -2,-0.2 0.891 104.6 55.3 -71.0 -39.8 -6.7 43.4 10.8 109 144 A Q H X S+ 0 0 64 -4,-2.4 4,-2.2 2,-0.2 11,-0.3 0.942 108.7 47.5 -55.4 -50.6 -7.6 46.8 12.1 110 145 A W H X S+ 0 0 135 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.933 114.9 44.4 -58.0 -49.6 -5.2 46.5 15.0 111 146 A K H X S+ 0 0 7 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.868 111.0 54.3 -65.7 -36.3 -2.3 45.3 12.9 112 147 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 6,-1.0 0.900 110.9 46.4 -63.9 -40.7 -2.9 47.9 10.2 113 148 A L H X S+ 0 0 71 -4,-2.2 4,-1.9 4,-0.2 -2,-0.2 0.938 115.2 45.8 -67.1 -47.0 -2.7 50.6 12.9 114 149 A R H < S+ 0 0 138 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.921 119.8 40.4 -62.7 -44.4 0.4 49.1 14.4 115 150 A D H < S+ 0 0 29 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.875 138.1 4.9 -75.8 -39.6 2.1 48.6 11.1 116 151 A F H < S- 0 0 42 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.376 90.4-115.7-128.8 3.6 1.2 51.7 9.1 117 152 A D < + 0 0 113 -4,-1.9 2,-0.4 -5,-0.5 -4,-0.2 0.891 66.6 145.8 60.4 40.0 -0.7 54.0 11.5 118 153 A I - 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0 0 79 1,-0.2 4,-2.2 2,-0.1 3,-2.0 -0.490 38.1-158.2 -65.6 108.3 -1.6 24.6 0.4 158 193 A K H 3> S+ 0 0 152 -2,-0.8 4,-2.1 1,-0.3 -1,-0.2 0.750 88.3 65.3 -59.4 -26.7 0.3 25.8 3.5 159 194 A S H 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.667 111.3 37.7 -71.7 -14.1 3.4 26.4 1.4 160 195 A I H X4 S+ 0 0 17 -3,-2.0 3,-1.4 3,-0.1 -2,-0.2 0.832 116.4 47.7-100.1 -47.5 1.4 29.1 -0.3 161 196 A R H 3< S+ 0 0 67 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.859 120.8 37.8 -63.5 -37.5 -0.6 30.6 2.6 162 197 A C T 3< S+ 0 0 67 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.015 94.8 125.0-104.2 29.6 2.4 30.8 4.9 163 198 A S S < S- 0 0 20 -3,-1.4 2,-1.6 1,-0.1 -3,-0.1 -0.220 80.7 -78.6 -79.6 174.1 4.8 31.9 2.1 164 199 A N > - 0 0 70 1,-0.2 3,-1.9 -113,-0.2 -1,-0.1 -0.582 47.6-178.8 -77.9 89.8 6.9 35.0 2.0 165 200 A W T 3 S+ 0 0 2 -2,-1.6 -1,-0.2 1,-0.3 -85,-0.2 0.658 78.6 60.4 -64.6 -14.7 4.3 37.5 1.1 166 201 A S T 3 S+ 0 0 48 -3,-0.1 2,-0.5 -86,-0.1 -1,-0.3 0.491 79.3 107.6 -91.2 -2.7 6.9 40.3 1.2 167 202 A K S < S- 0 0 119 -3,-1.9 -86,-0.1 2,-0.1 -87,-0.0 -0.637 76.3-106.7 -79.3 123.9 8.9 38.6 -1.6 168 203 A F S S+ 0 0 84 -2,-0.5 2,-0.1 1,-0.1 -2,-0.1 -0.844 93.1 28.4-103.0 136.0 8.7 40.4 -4.9 169 204 A P S S- 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.602 85.4-130.0 -92.3 164.6 7.2 39.6 -7.2 170 205 A L - 0 0 5 -2,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.358 27.4-117.2 -65.5 149.2 4.2 37.5 -5.9 171 206 A T > - 0 0 73 1,-0.1 4,-2.5 -3,-0.0 5,-0.2 -0.416 25.7-107.2 -81.8 166.2 3.8 34.1 -7.7 172 207 A E H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.864 123.4 52.9 -61.6 -35.0 0.7 33.4 -9.7 173 208 A D H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.912 107.9 48.8 -66.1 -44.6 -0.3 31.0 -6.9 174 209 A Q H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.933 112.2 49.8 -61.3 -43.4 0.1 33.7 -4.2 175 210 A K H X S+ 0 0 31 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.921 111.5 48.3 -60.6 -45.0 -1.9 36.1 -6.3 176 211 A L H X S+ 0 0 38 -4,-2.4 4,-2.3 -5,-0.2 -162,-0.3 0.947 114.3 46.1 -61.1 -49.1 -4.7 33.5 -6.7 177 212 A Y H X S+ 0 0 16 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.928 115.5 44.4 -58.8 -51.2 -4.8 32.7 -3.0 178 213 A A H X S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.908 115.1 47.8 -63.0 -44.9 -4.8 36.3 -1.8 179 214 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.905 109.9 53.4 -63.8 -42.9 -7.3 37.5 -4.4 180 215 A T H X S+ 0 0 3 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.854 103.9 55.0 -63.2 -37.4 -9.7 34.6 -3.6 181 216 A D H X S+ 0 0 9 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.918 112.1 43.3 -63.7 -40.5 -9.7 35.3 0.1 182 217 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -114,-0.3 0.872 112.0 54.9 -70.5 -35.3 -10.9 38.9 -0.5 183 218 A Y H X S+ 0 0 46 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.887 104.3 54.4 -63.0 -40.0 -13.3 37.6 -3.1 184 219 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.928 106.7 51.2 -59.2 -47.0 -14.8 35.2 -0.5 185 220 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.884 111.9 47.5 -58.8 -40.0 -15.4 38.2 1.9 186 221 A F H X S+ 0 0 28 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.920 115.0 43.4 -67.5 -47.0 -17.2 40.1 -0.9 187 222 A I H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.889 112.1 53.4 -67.0 -41.6 -19.4 37.2 -2.0 188 223 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.933 111.2 46.2 -60.3 -46.6 -20.3 36.2 1.5 189 224 A Y H X S+ 0 0 39 -4,-1.8 4,-3.0 -5,-0.3 -2,-0.2 0.956 113.8 48.7 -61.1 -49.4 -21.4 39.7 2.4 190 225 A R H X S+ 0 0 102 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.900 113.2 46.0 -57.5 -45.3 -23.4 40.0 -0.9 191 226 A N H < S+ 0 0 48 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.885 116.0 46.0 -67.3 -37.9 -25.2 36.7 -0.4 192 227 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.3 -2,-0.2 0.911 108.8 55.7 -69.9 -42.4 -25.9 37.3 3.2 193 228 A E H 3< S+ 0 0 101 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.801 99.6 59.9 -60.8 -33.0 -27.2 40.9 2.6 194 229 A I T 3< S+ 0 0 117 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.2 0.633 80.7 110.2 -73.1 -13.6 -29.8 39.8 0.0 195 230 A L < 0 0 67 -3,-1.4 -3,-0.0 -4,-0.3 -61,-0.0 -0.440 360.0 360.0 -68.0 132.1 -31.5 37.6 2.6 196 231 A D 0 0 207 -2,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.960 360.0 360.0 -62.3 360.0 -34.9 38.9 3.7