==== 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 2FBV . COMPND 2 MOLECULE: WERNER SYNDROME HELICASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.PERRY . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.8 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 . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 30.4 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 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 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 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 37 A H 0 0 185 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.6 63.1 -9.5 38.5 2 38 A S > - 0 0 61 1,-0.1 3,-0.7 4,-0.0 4,-0.5 -0.034 360.0-104.0 -70.7 175.4 60.0 -11.5 37.7 3 39 A V G > S+ 0 0 120 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.870 123.7 59.7 -68.1 -36.6 57.8 -11.5 34.6 4 40 A F G 3 S+ 0 0 187 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.698 100.8 57.8 -64.4 -16.8 55.3 -9.5 36.5 5 41 A E G < S+ 0 0 117 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.645 82.6 119.5 -86.2 -18.7 58.1 -6.9 37.0 6 42 A D S < S- 0 0 74 -3,-1.3 2,-0.7 -4,-0.5 -3,-0.0 0.002 74.6-105.8 -50.3 150.1 58.6 -6.5 33.2 7 43 A D - 0 0 134 145,-0.0 -1,-0.1 1,-0.0 3,-0.1 -0.723 40.7-152.3 -81.3 116.4 58.2 -3.1 31.5 8 44 A L - 0 0 59 -2,-0.7 143,-0.2 1,-0.2 144,-0.1 -0.358 27.7 -83.5 -84.8 166.4 55.0 -3.4 29.6 9 45 A P - 0 0 82 0, 0.0 143,-2.4 0, 0.0 2,-0.3 -0.272 55.5 -96.3 -65.2 160.3 54.2 -1.4 26.4 10 46 A F E -a 152 0A 81 141,-0.2 2,-0.6 -3,-0.1 143,-0.2 -0.580 24.9-123.0 -85.3 141.9 52.9 2.1 26.8 11 47 A L E +a 153 0A 4 141,-2.6 143,-0.5 -2,-0.3 2,-0.4 -0.723 40.3 172.7 -79.1 119.8 49.2 3.1 26.8 12 48 A E - 0 0 99 -2,-0.6 2,-0.2 141,-0.1 164,-0.1 -0.956 28.6-134.9-137.2 115.2 48.9 5.7 24.0 13 49 A F + 0 0 8 -2,-0.4 166,-0.1 162,-0.4 165,-0.1 -0.491 21.6 180.0 -69.0 133.7 45.5 7.0 22.8 14 50 A T + 0 0 137 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.227 49.1 90.3-120.9 13.2 45.4 7.1 19.1 15 51 A G S S- 0 0 33 1,-0.2 2,-0.5 55,-0.1 57,-0.2 0.067 91.3 -44.9 -89.2-155.3 41.9 8.5 18.5 16 52 A S E -b 72 0B 52 55,-3.3 57,-3.6 2,-0.0 2,-0.7 -0.648 47.2-165.1 -82.5 120.5 40.7 12.1 18.1 17 53 A I E -b 73 0B 58 -2,-0.5 2,-0.7 55,-0.2 57,-0.2 -0.910 7.0-159.0-105.9 110.8 42.1 14.6 20.7 18 54 A V E -b 74 0B 33 55,-3.2 57,-3.0 -2,-0.7 2,-0.5 -0.825 6.3-159.2 -94.9 112.9 40.0 17.8 20.6 19 55 A Y E +b 75 0B 44 -2,-0.7 2,-0.4 55,-0.2 57,-0.2 -0.796 12.6 178.9 -95.3 124.9 42.0 20.7 22.1 20 56 A S E +b 76 0B 0 55,-2.8 57,-3.3 -2,-0.5 3,-0.0 -0.991 20.6 158.6-129.8 131.4 40.0 23.7 23.3 21 57 A Y + 0 0 95 -2,-0.4 2,-0.4 55,-0.2 -1,-0.1 0.203 56.9 84.3-132.8 11.6 41.4 26.9 24.9 22 58 A D > - 0 0 82 1,-0.1 4,-2.9 59,-0.1 5,-0.2 -0.983 69.7-139.0-122.8 128.4 38.5 29.3 24.3 23 59 A A H > S+ 0 0 18 -2,-0.4 4,-2.3 2,-0.2 64,-0.2 0.891 101.7 45.2 -47.6 -59.2 35.5 29.6 26.7 24 60 A S H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 114.6 50.3 -53.7 -49.7 32.7 29.9 24.0 25 61 A D H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.949 109.7 51.5 -51.7 -54.4 34.2 27.1 22.0 26 62 A C H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.849 105.4 54.1 -54.1 -43.5 34.4 24.9 25.1 27 63 A S H X S+ 0 0 27 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.901 110.7 46.6 -62.2 -39.9 30.7 25.4 26.0 28 64 A F H X S+ 0 0 132 -4,-1.8 4,-1.8 -3,-0.3 -2,-0.2 0.873 109.6 52.9 -70.6 -36.2 29.6 24.3 22.6 29 65 A L H X S+ 0 0 21 -4,-2.2 4,-2.8 1,-0.2 3,-0.3 0.946 106.7 54.6 -62.0 -45.1 31.9 21.3 22.6 30 66 A S H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.865 107.2 49.9 -55.5 -38.6 30.3 20.4 25.9 31 67 A E H X S+ 0 0 107 -4,-1.4 4,-1.9 2,-0.2 -1,-0.3 0.823 108.6 52.6 -69.9 -32.1 26.9 20.5 24.3 32 68 A D H X S+ 0 0 69 -4,-1.8 4,-1.6 -3,-0.3 -2,-0.2 0.956 108.8 49.9 -65.2 -48.0 28.2 18.3 21.5 33 69 A I H >< S+ 0 0 2 -4,-2.8 3,-0.7 1,-0.2 4,-0.5 0.945 112.1 48.8 -51.9 -51.7 29.4 15.8 24.1 34 70 A S H >< S+ 0 0 54 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.810 107.7 53.1 -62.0 -33.1 25.9 16.0 25.7 35 71 A M H 3< S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.766 110.3 49.4 -74.2 -23.3 24.1 15.5 22.4 36 72 A S T << S+ 0 0 80 -4,-1.6 2,-0.3 -3,-0.7 -1,-0.2 0.434 106.7 66.8 -94.8 -1.0 26.2 12.3 21.7 37 73 A L < - 0 0 28 -3,-0.6 2,-0.3 -4,-0.5 60,-0.1 -0.752 65.0-146.6-117.6 166.7 25.5 10.8 25.2 38 74 A S > - 0 0 83 -2,-0.3 3,-2.0 58,-0.1 -2,-0.0 -0.898 44.0 -72.4-127.4 156.9 22.5 9.4 27.0 39 75 A D T 3 S+ 0 0 140 -2,-0.3 58,-0.2 1,-0.3 57,-0.1 -0.176 119.6 25.8 -48.5 135.7 21.6 9.4 30.7 40 76 A G T 3 S+ 0 0 51 56,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.399 85.0 139.3 90.3 -3.6 23.9 7.0 32.6 41 77 A D < - 0 0 63 -3,-2.0 57,-3.4 55,-0.5 2,-0.4 -0.485 42.7-141.7 -75.9 144.7 26.8 7.1 30.3 42 78 A V E -c 98 0B 21 55,-0.2 2,-0.3 -2,-0.2 57,-0.2 -0.895 15.6-171.0-111.3 138.2 30.3 7.2 31.8 43 79 A V E -c 99 0B 4 55,-2.9 57,-2.7 -2,-0.4 2,-0.4 -0.867 33.3-100.8-122.4 156.6 33.2 9.2 30.4 44 80 A G E -cD 100 67B 0 23,-2.7 23,-2.0 -2,-0.3 2,-0.4 -0.666 43.6-164.1 -79.8 128.5 36.8 9.1 31.5 45 81 A F E + D 0 66B 4 55,-3.4 2,-0.3 -2,-0.4 57,-0.3 -0.893 22.9 133.0-119.4 146.5 37.7 12.0 33.7 46 82 A D E - D 0 65B 27 19,-1.3 19,-3.1 -2,-0.4 2,-0.3 -0.956 25.4-154.4-174.4 164.3 40.9 13.6 34.8 47 83 A M E - D 0 64B 3 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.987 4.0-147.7-151.4 159.1 42.7 16.9 35.2 48 84 A E E - D 0 63B 18 15,-1.8 14,-2.7 -2,-0.3 15,-2.0 -0.895 12.0-175.5-128.0 157.7 46.1 18.5 35.3 49 85 A W - 0 0 75 -2,-0.3 12,-0.2 12,-0.3 115,-0.1 -0.993 34.7 -85.8-151.6 151.9 47.6 21.5 37.1 50 86 A P - 0 0 19 0, 0.0 9,-0.6 0, 0.0 113,-0.2 -0.039 33.5-126.1 -53.7 160.1 50.9 23.4 37.2 51 87 A P S S+ 0 0 72 0, 0.0 8,-0.1 0, 0.0 112,-0.1 0.819 80.2 91.4 -80.6 -32.9 53.7 22.2 39.5 52 88 A L S S- 0 0 148 6,-0.1 7,-0.3 1,-0.1 2,-0.2 -0.355 80.2-113.9 -66.7 143.9 54.4 25.5 41.5 53 89 A Y - 0 0 164 5,-0.2 2,-0.5 6,-0.1 5,-0.2 -0.523 20.4-147.7 -82.2 145.1 52.4 26.0 44.7 54 90 A N B > -G 57 0C 69 3,-3.7 3,-3.4 -2,-0.2 -1,-0.0 -0.950 67.3 -39.0-117.3 120.2 49.8 28.7 45.2 55 91 A R T 3 S- 0 0 225 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.820 127.5 -37.0 30.7 53.6 49.3 30.3 48.6 56 92 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.377 126.3 80.5 89.4 -6.1 49.8 27.0 50.4 57 93 A K B < S-G 54 0C 51 -3,-3.4 -3,-3.7 1,-0.1 -1,-0.2 -0.793 87.0 -76.9-128.9 172.1 48.1 24.7 47.9 58 94 A L - 0 0 58 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 -0.241 68.1 -77.0 -62.2 154.7 48.8 23.0 44.6 59 95 A G - 0 0 3 -9,-0.6 -1,-0.1 -7,-0.3 3,-0.1 -0.171 62.4 -91.1 -51.8 148.2 48.7 25.0 41.4 60 96 A K - 0 0 102 1,-0.1 -1,-0.1 -3,-0.1 51,-0.1 -0.338 54.3 -83.8 -64.2 142.1 45.1 25.8 40.3 61 97 A V + 0 0 3 49,-0.2 -12,-0.3 -12,-0.2 -1,-0.1 -0.145 49.7 173.0 -45.6 136.7 43.6 23.4 37.8 62 98 A A + 0 0 0 -14,-2.7 17,-2.1 1,-0.3 2,-0.3 0.560 59.0 34.0-122.8 -21.2 44.7 24.2 34.3 63 99 A L E -D 48 0B 0 -15,-2.0 -15,-1.8 14,-0.2 2,-0.4 -0.998 54.4-164.3-143.3 143.0 43.3 21.4 32.2 64 100 A I E -DE 47 76B 0 12,-1.6 12,-3.0 -2,-0.3 2,-0.4 -0.996 12.3-159.8-128.2 130.3 40.3 19.1 32.2 65 101 A Q E +DE 46 75B 0 -19,-3.1 -19,-1.3 -2,-0.4 2,-0.4 -0.905 10.5 178.8-113.8 136.9 40.1 15.8 30.2 66 102 A L E -DE 45 74B 4 8,-2.1 8,-3.1 -2,-0.4 2,-0.7 -0.956 11.1-164.8-138.7 115.0 37.0 13.9 29.1 67 103 A C E +DE 44 73B 0 -23,-2.0 -23,-2.7 -2,-0.4 6,-0.2 -0.901 12.5 174.7-100.3 114.9 37.2 10.7 27.1 68 104 A V E + 0 0 15 4,-1.6 2,-0.3 -2,-0.7 -1,-0.1 0.560 63.7 5.9 -99.0 -11.5 33.7 10.2 25.8 69 105 A S E > S- E 0 72B 35 3,-1.1 3,-0.9 -25,-0.1 -1,-0.1 -0.951 86.0 -91.0-159.5 169.8 34.3 7.2 23.5 70 106 A E T 3 S+ 0 0 117 -2,-0.3 -55,-0.1 1,-0.2 3,-0.1 0.518 126.4 36.5 -69.0 -0.1 37.1 4.8 22.7 71 107 A S T 3 S+ 0 0 70 1,-0.2 -55,-3.3 -56,-0.1 2,-0.4 0.379 108.0 62.1-133.3 4.3 38.0 7.2 19.9 72 108 A K E < +bE 16 69B 65 -3,-0.9 -4,-1.6 -57,-0.2 -3,-1.1 -0.972 49.7 176.8-140.3 126.4 37.4 10.8 21.1 73 109 A C E -bE 17 67B 0 -57,-3.6 -55,-3.2 -2,-0.4 2,-0.5 -0.983 16.8-145.7-129.3 137.7 39.0 12.7 23.9 74 110 A Y E -bE 18 66B 13 -8,-3.1 -8,-2.1 -2,-0.4 2,-0.6 -0.868 6.8-167.5-105.8 132.6 38.4 16.3 25.0 75 111 A L E -bE 19 65B 0 -57,-3.0 -55,-2.8 -2,-0.5 2,-1.0 -0.922 5.8-168.5-118.6 101.6 41.1 18.6 26.4 76 112 A F E -bE 20 64B 0 -12,-3.0 2,-2.4 -2,-0.6 -12,-1.6 -0.796 7.7-159.5 -94.7 99.2 39.6 21.7 27.9 77 113 A H > + 0 0 0 -57,-3.3 3,-2.4 -2,-1.0 4,-0.3 -0.405 21.9 168.1 -78.1 65.4 42.5 24.1 28.6 78 114 A V G > + 0 0 7 -2,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.766 65.4 72.1 -50.7 -31.8 40.5 26.1 31.1 79 115 A S G 3 S+ 0 0 47 -17,-2.1 -1,-0.3 1,-0.3 -16,-0.1 0.745 100.2 46.9 -59.6 -22.8 43.7 27.9 32.3 80 116 A S G < S+ 0 0 43 -3,-2.4 2,-0.5 -18,-0.3 -1,-0.3 0.447 93.0 97.8 -97.6 -2.7 43.7 29.8 29.0 81 117 A M S < S- 0 0 17 -3,-1.8 -59,-0.1 -4,-0.3 3,-0.0 -0.760 70.4-140.6 -92.3 129.7 40.0 30.7 29.1 82 118 A S S S+ 0 0 123 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.911 90.6 14.2 -49.7 -51.0 39.0 34.2 30.4 83 119 A V S S- 0 0 95 -3,-0.1 -60,-0.1 0, 0.0 -1,-0.1 -0.880 98.2 -92.3-124.3 156.8 36.0 32.8 32.3 84 120 A F - 0 0 34 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.590 54.3 -98.8 -74.2 125.8 35.3 29.1 33.1 85 121 A P > - 0 0 1 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.163 25.6-153.4 -47.4 115.4 33.0 27.6 30.4 86 122 A Q H > S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.792 95.1 53.4 -62.2 -31.4 29.4 27.6 31.5 87 123 A G H > S+ 0 0 15 -64,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.825 109.4 47.5 -74.7 -30.7 28.6 24.6 29.3 88 124 A L H > S+ 0 0 0 -3,-0.3 4,-3.1 2,-0.2 5,-0.3 0.879 108.7 54.9 -74.9 -40.6 31.4 22.6 30.8 89 125 A K H X S+ 0 0 60 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.899 109.3 47.0 -59.2 -41.7 30.3 23.5 34.3 90 126 A M H < S+ 0 0 107 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.820 112.8 50.9 -70.9 -28.8 26.8 22.2 33.6 91 127 A L H >< S+ 0 0 10 -4,-1.1 3,-0.8 2,-0.2 6,-0.3 0.918 112.3 44.2 -73.3 -44.4 28.3 19.1 32.1 92 128 A L H 3< S+ 0 0 0 -4,-3.1 28,-2.6 1,-0.2 -2,-0.2 0.756 118.6 45.5 -70.9 -25.0 30.5 18.4 35.1 93 129 A E T 3< S+ 0 0 59 -4,-1.6 2,-0.7 -5,-0.3 -1,-0.2 0.367 89.6 102.9 -97.8 2.3 27.6 19.2 37.4 94 130 A N X - 0 0 71 -3,-0.8 3,-1.2 -4,-0.2 26,-0.1 -0.788 57.2-160.6 -90.3 117.9 25.1 17.1 35.4 95 131 A K T 3 S+ 0 0 161 -2,-0.7 -1,-0.1 1,-0.2 -55,-0.1 0.386 82.5 80.6 -77.5 5.5 24.5 13.9 37.2 96 132 A A T 3 S+ 0 0 17 1,-0.1 -56,-3.1 -57,-0.1 -55,-0.5 0.799 90.8 55.6 -78.2 -30.0 23.2 12.5 33.9 97 133 A V S < S- 0 0 9 -3,-1.2 2,-0.3 -6,-0.3 -55,-0.2 -0.899 81.7-143.9-106.2 127.5 26.8 11.9 32.8 98 134 A K E -c 42 0B 49 -57,-3.4 -55,-2.9 -2,-0.5 2,-0.5 -0.713 6.7-149.2 -94.0 141.7 29.1 9.7 35.0 99 135 A K E -cf 43 122B 2 22,-2.4 24,-2.6 -2,-0.3 2,-0.4 -0.939 11.8-164.0-112.6 125.5 32.8 10.5 35.4 100 136 A A E +cf 44 123B 0 -57,-2.7 -55,-3.4 -2,-0.5 2,-0.3 -0.847 28.4 111.0-110.6 146.2 35.2 7.7 36.0 101 137 A G E - f 0 124B 3 22,-1.5 24,-2.7 -2,-0.4 2,-0.5 -0.980 60.9 -83.8 175.8-178.2 38.8 8.0 37.3 102 138 A V S S+ 0 0 44 -2,-0.3 39,-0.1 -57,-0.3 22,-0.1 -0.959 109.6 8.5-115.5 119.5 41.3 7.3 40.1 103 139 A G S >> S+ 0 0 36 -2,-0.5 4,-1.4 3,-0.1 3,-0.6 0.666 79.6 143.8 87.4 17.5 41.4 9.9 42.9 104 140 A I H 3> + 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.877 63.8 65.2 -57.0 -40.6 38.4 11.7 41.5 105 141 A E H 3> S+ 0 0 137 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.919 105.2 46.0 -48.6 -44.5 37.2 12.5 45.1 106 142 A G H <> S+ 0 0 40 -3,-0.6 4,-2.3 1,-0.2 -1,-0.3 0.874 109.4 53.8 -66.4 -36.3 40.3 14.6 45.4 107 143 A D H X S+ 0 0 14 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.888 105.0 55.8 -64.7 -37.3 39.6 16.1 42.0 108 144 A Q H X S+ 0 0 65 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.962 108.5 47.0 -57.3 -53.3 36.2 17.1 43.3 109 145 A W H X S+ 0 0 133 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.944 115.3 44.0 -53.5 -55.2 37.7 19.0 46.2 110 146 A K H X S+ 0 0 7 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.863 113.4 52.8 -61.3 -35.3 40.3 20.8 44.1 111 147 A L H X>S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 6,-1.0 0.953 111.0 45.0 -65.8 -49.3 37.6 21.6 41.5 112 148 A L H X5S+ 0 0 73 -4,-3.0 4,-1.4 4,-0.3 -2,-0.2 0.927 118.1 47.5 -58.6 -43.4 35.2 23.1 44.0 113 149 A R H <5S+ 0 0 142 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.905 118.9 35.0 -65.5 -47.5 38.2 25.0 45.5 114 150 A D H <5S+ 0 0 22 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.859 140.8 9.4 -79.9 -34.7 39.7 26.3 42.3 115 151 A F H <5S- 0 0 39 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.513 89.4-120.9-124.3 -8.6 36.5 27.0 40.3 116 152 A D << + 0 0 110 -4,-1.4 2,-0.4 -5,-0.9 -4,-0.3 0.830 63.6 145.2 68.0 31.1 33.6 26.5 42.7 117 153 A I - 0 0 5 -6,-1.0 2,-0.8 -9,-0.1 -1,-0.3 -0.865 45.5-140.8-100.7 135.4 32.3 23.7 40.4 118 154 A K - 0 0 129 -2,-0.4 2,-0.4 -29,-0.1 -9,-0.1 -0.873 13.1-142.9-100.6 109.9 30.6 20.8 42.0 119 155 A L - 0 0 2 -2,-0.8 2,-0.4 -11,-0.2 -26,-0.2 -0.576 22.4-161.3 -71.7 123.7 31.5 17.6 40.3 120 156 A K + 0 0 108 -28,-2.6 -26,-0.1 -2,-0.4 -21,-0.1 -0.911 54.5 9.9-115.8 138.9 28.5 15.4 40.3 121 157 A N S S+ 0 0 56 -2,-0.4 -22,-2.4 1,-0.2 2,-0.3 0.999 74.8 160.8 65.1 73.2 28.2 11.6 39.7 122 158 A F E -f 99 0B 59 -24,-0.2 2,-0.4 -3,-0.2 -22,-0.2 -0.933 26.4-149.4-124.6 148.6 31.8 10.2 39.9 123 159 A V E -f 100 0B 26 -24,-2.6 -22,-1.5 -2,-0.3 2,-0.7 -0.965 14.3-135.0-120.0 132.9 33.1 6.7 40.5 124 160 A E E >> -f 101 0B 42 -2,-0.4 4,-1.4 1,-0.2 3,-1.0 -0.763 15.4-150.9 -82.6 115.4 36.4 5.8 42.1 125 161 A L H 3> S+ 0 0 0 -24,-2.7 4,-2.8 -2,-0.7 5,-0.3 0.843 90.6 69.8 -57.4 -34.9 37.7 3.1 39.8 126 162 A T H 3> S+ 0 0 25 -25,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.875 105.3 41.3 -50.5 -40.5 39.6 1.5 42.7 127 163 A D H <> S+ 0 0 82 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.829 110.9 54.9 -78.5 -34.8 36.2 0.5 44.1 128 164 A V H X S+ 0 0 27 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.857 111.2 47.2 -66.4 -34.5 34.7 -0.5 40.8 129 165 A A H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.972 110.7 48.9 -69.9 -56.1 37.7 -2.9 40.2 130 166 A N H <>S+ 0 0 28 -4,-1.9 5,-2.0 -5,-0.3 -2,-0.2 0.833 116.8 46.1 -52.8 -33.6 37.6 -4.5 43.7 131 167 A K H ><5S+ 0 0 152 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.960 121.3 31.3 -76.6 -54.2 33.8 -5.0 43.2 132 168 A K H 3<5S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.798 120.6 52.0 -76.2 -28.9 33.7 -6.4 39.7 133 169 A L T 3<5S- 0 0 49 -4,-3.4 -1,-0.2 -5,-0.3 -3,-0.2 0.447 106.4-129.6 -84.9 -0.7 37.0 -8.2 39.9 134 170 A K T < 5 + 0 0 193 -3,-0.5 2,-0.2 -5,-0.3 -3,-0.2 0.943 69.4 100.2 49.1 60.8 35.9 -9.8 43.2 135 171 A C S - 0 0 54 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.891 43.7-106.5-135.2 159.9 46.3 3.1 41.0 141 177 A L H > S+ 0 0 27 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.934 123.3 49.2 -55.7 -41.5 45.3 4.2 37.5 142 178 A N H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 107.7 50.1 -63.5 -49.7 48.6 2.6 36.3 143 179 A S H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.782 112.4 50.4 -62.3 -26.0 48.2 -0.7 38.2 144 180 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.864 107.6 51.6 -78.2 -38.5 44.8 -1.1 36.7 145 181 A V H X>S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 6,-0.9 0.927 113.9 45.7 -63.0 -44.0 46.0 -0.3 33.2 146 182 A K H X5S+ 0 0 85 -4,-2.4 4,-2.2 4,-0.2 -2,-0.2 0.979 114.6 44.6 -62.1 -59.5 48.6 -3.0 33.6 147 183 A H H <5S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.787 126.9 30.8 -57.2 -32.8 46.4 -5.7 35.1 148 184 A L H <5S+ 0 0 49 -4,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.749 132.9 24.1-100.7 -28.0 43.6 -5.1 32.6 149 185 A L H <5S- 0 0 50 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.510 92.7-119.8-118.5 -6.9 45.3 -4.0 29.4 150 186 A G S <> - 0 0 81 1,-0.2 4,-2.2 2,-0.1 3,-1.9 -0.447 38.4-157.5 -61.5 106.1 58.3 11.0 31.4 157 193 A K H 3> S+ 0 0 154 -2,-0.8 4,-2.2 1,-0.3 -1,-0.2 0.782 88.3 64.1 -57.8 -29.8 58.1 13.1 34.6 158 194 A S H 34 S+ 0 0 82 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.741 113.1 36.6 -67.4 -20.1 59.2 16.3 32.7 159 195 A I H X4 S+ 0 0 21 -3,-1.9 3,-1.8 3,-0.1 -2,-0.2 0.902 119.7 42.9 -92.0 -62.3 55.9 15.9 30.8 160 196 A R H 3< S+ 0 0 64 -4,-2.2 -3,-0.2 1,-0.3 -2,-0.2 0.851 122.7 40.0 -55.2 -40.2 53.5 14.6 33.4 161 197 A C T 3< S+ 0 0 72 -4,-2.2 -1,-0.3 -5,-0.3 2,-0.1 -0.162 97.1 120.2-103.7 40.4 54.7 17.1 36.0 162 198 A S S < S- 0 0 20 -3,-1.8 2,-1.6 -112,-0.1 -113,-0.1 -0.392 81.2 -73.9 -96.3 175.8 55.1 19.9 33.6 163 199 A N > + 0 0 66 1,-0.2 3,-1.4 -113,-0.2 -1,-0.1 -0.533 48.0 178.2 -73.1 90.7 53.5 23.4 33.4 164 200 A W T 3 S+ 0 0 3 -2,-1.6 -1,-0.2 1,-0.3 -85,-0.1 0.645 76.5 61.3 -69.5 -14.0 50.0 22.5 32.3 165 201 A S T 3 S+ 0 0 47 -3,-0.1 2,-0.4 -86,-0.1 -1,-0.3 0.579 79.6 105.9 -88.1 -8.5 49.0 26.2 32.5 166 202 A K S < S- 0 0 119 -3,-1.4 -86,-0.1 2,-0.1 -87,-0.0 -0.580 76.2-108.5 -74.6 125.2 51.5 27.1 29.9 167 203 A F S S+ 0 0 88 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.886 91.2 32.3-108.8 137.5 49.8 27.8 26.5 168 204 A P S S- 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.530 83.3-133.6 -89.9 164.3 49.9 26.2 24.2 169 205 A L - 0 0 6 -2,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.345 24.1-120.9 -67.7 152.8 50.1 22.6 25.2 170 206 A T > - 0 0 71 1,-0.1 4,-2.6 -3,-0.0 5,-0.2 -0.571 25.8-105.5 -92.3 161.6 52.7 20.5 23.4 171 207 A E H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.850 122.4 52.7 -56.2 -34.4 51.8 17.3 21.5 172 208 A D H > S+ 0 0 87 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.935 108.7 48.1 -67.6 -45.9 53.3 15.2 24.3 173 209 A Q H > S+ 0 0 13 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.934 112.5 49.8 -59.1 -46.1 51.2 17.0 27.0 174 210 A K H X S+ 0 0 36 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.920 112.4 47.4 -58.1 -45.1 48.1 16.6 24.9 175 211 A L H X S+ 0 0 34 -4,-2.2 4,-2.4 -5,-0.2 -162,-0.4 0.923 115.9 44.0 -62.2 -47.9 48.9 12.9 24.4 176 212 A Y H X S+ 0 0 17 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.956 116.6 44.2 -62.4 -55.1 49.5 12.3 28.1 177 213 A A H X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.909 116.4 49.3 -58.0 -42.7 46.6 14.3 29.4 178 214 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.4 -1,-0.2 0.892 107.5 52.4 -65.5 -41.4 44.4 12.7 26.8 179 215 A T H X S+ 0 0 3 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.827 102.3 59.7 -67.4 -32.2 45.4 9.1 27.5 180 216 A D H X S+ 0 0 3 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.936 108.4 43.9 -61.3 -45.6 44.7 9.3 31.2 181 217 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -114,-0.2 0.923 113.3 52.9 -63.7 -43.4 41.1 10.1 30.5 182 218 A Y H X S+ 0 0 48 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.933 107.2 50.2 -56.0 -51.6 41.0 7.4 27.9 183 219 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.908 110.0 52.7 -54.8 -41.7 42.4 4.8 30.4 184 220 A G H X S+ 0 0 1 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.928 112.8 44.0 -60.0 -44.1 39.7 6.0 32.8 185 221 A F H X S+ 0 0 30 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.929 117.4 43.5 -67.0 -46.5 37.1 5.4 30.1 186 222 A I H X S+ 0 0 4 -4,-3.4 4,-2.8 2,-0.2 5,-0.2 0.926 112.2 52.3 -65.6 -47.7 38.4 2.0 29.0 187 223 A I H X S+ 0 0 0 -4,-3.0 4,-1.4 -5,-0.3 -1,-0.2 0.883 111.9 46.6 -57.9 -41.2 39.0 0.7 32.5 188 224 A Y H >< S+ 0 0 62 -4,-1.6 3,-0.6 -5,-0.3 4,-0.3 0.977 113.5 47.8 -66.6 -52.4 35.5 1.5 33.5 189 225 A R H >< S+ 0 0 88 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.849 110.8 51.8 -56.2 -37.8 33.9 -0.0 30.4 190 226 A N H >< S+ 0 0 54 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.810 99.9 63.3 -72.1 -27.7 36.0 -3.2 30.7 191 227 A L T << S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.474 75.4 95.2 -76.0 1.6 35.0 -3.7 34.3 192 228 A E T < + 0 0 121 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.231 59.1 113.8 -78.3 16.7 31.3 -4.2 33.3 193 229 A I < 0 0 81 -3,-0.5 -3,-0.0 1,-0.0 -2,-0.0 -0.376 360.0 360.0 -83.4 165.5 31.5 -8.0 33.1 194 230 A L 0 0 192 -2,-0.1 -61,-0.1 -61,-0.0 -2,-0.0 -0.698 360.0 360.0-150.0 360.0 29.7 -10.4 35.5