==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-DEC-06 2OAP . COMPND 2 MOLECULE: TYPE II SECRETION SYSTEM PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR A.YAMAGATA,J.A.TAINER . 1001 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 718 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 92 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 2 2 3 1 4 6 2 0 2 5 3 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 8 3 4 2 0 2 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 0 1 0 0 3 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 5 1 H > 0 0 41 0, 0.0 4,-1.3 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 -48.9 48.9 56.9 200.1 2 6 1 Y T 4 + 0 0 6 2,-0.2 112,-0.0 1,-0.2 31,-0.0 0.692 360.0 54.1 -83.8 -20.1 51.4 54.3 199.1 3 7 1 D T 4 S+ 0 0 106 1,-0.2 -1,-0.2 4,-0.1 0, 0.0 0.899 108.8 49.2 -77.5 -40.9 54.5 56.4 199.2 4 8 1 I T 4 S+ 0 0 35 3,-0.1 4,-0.4 4,-0.0 -2,-0.2 0.910 121.1 41.6 -61.3 -42.7 53.7 57.4 202.8 5 9 1 L S < S+ 0 0 0 -4,-1.3 -3,-0.0 2,-0.1 106,-0.0 -0.208 94.4 66.9 -85.2-170.6 53.2 53.7 203.4 6 10 1 R S S+ 0 0 77 1,-0.1 -1,-0.1 101,-0.1 6,-0.0 0.987 103.6 49.1 54.4 71.0 55.8 51.5 201.8 7 11 1 R S S+ 0 0 166 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.250 98.5 63.5 160.0 -43.0 58.7 52.7 203.9 8 12 1 H S S+ 0 0 56 -4,-0.4 -3,-0.1 99,-0.0 2,-0.1 0.616 93.9 88.4 -74.5 -12.9 56.9 52.4 207.2 9 13 1 I - 0 0 36 1,-0.1 95,-0.1 98,-0.1 3,-0.1 -0.306 67.3-155.4 -79.1 167.8 57.0 48.7 206.3 10 14 1 R + 0 0 61 94,-0.1 94,-0.2 93,-0.1 -1,-0.1 0.776 70.0 52.0-108.6 -61.4 59.9 46.4 207.1 11 15 1 S - 0 0 22 92,-0.7 3,-0.1 1,-0.1 93,-0.1 -0.231 51.3-168.3 -75.6 166.0 59.8 43.5 204.6 12 16 1 E S S+ 0 0 76 1,-0.1 2,-1.1 -3,-0.1 -1,-0.1 0.432 76.0 77.4-128.6 -16.6 59.7 43.9 200.8 13 17 1 D + 0 0 91 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.493 68.1 149.8 -95.9 62.4 59.0 40.3 199.9 14 18 1 L + 0 0 12 -2,-1.1 91,-0.0 21,-0.3 90,-0.0 -0.629 40.4 32.9 -94.0 154.2 55.3 40.6 200.8 15 19 1 L S S- 0 0 26 43,-0.3 44,-0.0 -2,-0.2 40,-0.0 0.800 74.9-126.4 68.3 116.9 52.5 38.6 199.1 16 20 1 E - 0 0 73 40,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.417 37.2 -77.3 -68.7-150.5 53.2 35.0 197.9 17 21 1 T - 0 0 84 1,-0.0 -1,-0.1 38,-0.0 2,-0.1 -0.870 44.9 -99.9-118.9 152.9 52.5 33.7 194.3 18 22 1 P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.392 25.9-161.2 -72.2 146.2 49.2 32.7 192.6 19 23 1 E + 0 0 97 -2,-0.1 2,-0.5 2,-0.0 -2,-0.0 -0.882 13.0 176.1-132.2 100.4 48.2 29.1 192.3 20 24 1 F - 0 0 55 -2,-0.4 4,-0.2 4,-0.1 6,-0.1 -0.919 26.3-127.4-111.4 120.5 45.5 28.4 189.7 21 25 1 G > - 0 0 57 -2,-0.5 3,-1.1 2,-0.1 -1,-0.0 0.061 48.3 -62.9 -54.4 170.6 44.4 24.8 189.0 22 26 1 S T 3 S+ 0 0 134 1,-0.2 -1,-0.1 22,-0.0 3,-0.0 0.012 123.7 38.7 -51.4 163.0 44.4 23.4 185.5 23 27 1 G T 3 S+ 0 0 34 1,-0.1 2,-0.4 -3,-0.1 23,-0.3 0.445 98.1 95.4 71.4 -2.7 42.1 25.0 182.9 24 28 1 S < - 0 0 29 -3,-1.1 20,-0.2 -4,-0.2 -4,-0.1 -0.635 59.4-179.0-120.5 69.6 43.1 28.2 184.5 25 29 1 R - 0 0 161 -2,-0.4 18,-4.6 17,-0.1 2,-0.8 -0.339 29.4-120.2 -69.0 148.8 46.0 29.5 182.4 26 30 1 I E +A 42 0A 74 16,-0.3 16,-0.3 1,-0.2 3,-0.1 -0.832 29.1 179.9 -97.6 108.4 47.7 32.8 183.3 27 31 1 V E - 0 0 52 14,-2.3 2,-0.3 -2,-0.8 15,-0.2 0.939 63.6 -16.0 -70.7 -53.6 47.4 35.2 180.4 28 32 1 E E -A 41 0A 64 13,-1.6 13,-2.6 2,-0.0 2,-0.3 -0.941 54.2-160.4-149.1 168.8 49.3 38.2 181.8 29 33 1 E E +A 40 0A 81 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.977 17.8 159.4-154.6 139.3 50.6 39.6 185.1 30 34 1 Y E -A 39 0A 33 9,-2.0 9,-2.2 -2,-0.3 2,-0.2 -0.987 36.3 -96.6-159.3 161.3 51.6 43.0 186.2 31 35 1 W E +A 38 0A 102 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.497 27.7 171.3 -84.7 152.8 52.1 45.2 189.2 32 36 1 I E S+ 0 0 21 5,-1.7 2,-0.2 -2,-0.2 6,-0.2 0.648 83.9 0.7-119.1 -65.2 49.7 47.7 190.7 33 37 1 Q E >> S-A 37 0A 35 4,-1.6 3,-3.0 96,-0.0 4,-1.0 -0.648 98.9-118.0-131.9 73.8 51.1 48.9 194.0 34 38 1 E T 34 S+ 0 0 108 1,-0.3 4,-0.1 -2,-0.2 -3,-0.0 -0.275 88.1 11.1 -56.8 135.4 54.5 47.1 194.4 35 39 1 P T 34 S+ 0 0 29 0, 0.0 -1,-0.3 0, 0.0 -21,-0.3 -0.744 129.9 45.9-106.1 41.9 55.2 45.2 196.5 36 40 1 F T <4 S+ 0 0 9 -3,-3.0 2,-0.3 1,-0.3 -2,-0.2 0.875 108.1 28.4 -98.5 -71.4 51.7 44.8 197.9 37 41 1 T E < +A 33 0A 0 -4,-1.0 -5,-1.7 19,-0.2 -4,-1.6 -0.745 58.0 172.5-101.4 143.3 49.1 44.3 195.3 38 42 1 K E -AB 31 55A 46 17,-1.6 17,-2.3 -2,-0.3 2,-0.4 -0.983 22.1-135.6-144.2 148.0 49.5 42.7 191.9 39 43 1 A E -AB 30 54A 0 -9,-2.2 -9,-2.0 -2,-0.3 2,-0.5 -0.913 12.7-162.5-113.8 137.3 46.9 41.8 189.2 40 44 1 I E -AB 29 53A 0 13,-2.4 13,-2.6 -2,-0.4 2,-0.9 -0.961 10.2-149.7-119.1 130.4 46.8 38.5 187.3 41 45 1 I E -AB 28 52A 2 -13,-2.6 -14,-2.3 -2,-0.5 -13,-1.6 -0.847 24.6-170.5-100.7 102.9 44.8 38.0 184.1 42 46 1 V E -AB 26 51A 11 9,-2.4 9,-3.3 -2,-0.9 -16,-0.3 -0.645 10.0-146.8 -94.8 150.4 43.9 34.3 184.0 43 47 1 E - 0 0 50 -18,-4.6 7,-0.1 7,-0.2 -1,-0.1 -0.201 2.1-155.3 -97.7-167.2 42.3 32.4 181.1 44 48 1 N - 0 0 10 -20,-0.2 3,-0.5 -2,-0.1 5,-0.3 -0.240 5.0-157.9-174.6 70.5 39.8 29.5 181.2 45 49 1 E S S+ 0 0 56 1,-0.2 3,-0.2 -22,-0.2 -21,-0.1 0.673 89.7 56.3 -21.6 -53.5 39.9 27.3 178.1 46 50 1 D S S+ 0 0 114 -23,-0.3 2,-1.1 1,-0.3 -1,-0.2 0.972 115.3 34.1 -48.3 -73.6 36.4 26.0 178.7 47 51 1 E S S- 0 0 67 -3,-0.5 2,-2.0 2,-0.1 -1,-0.3 -0.779 94.7-132.0 -88.9 98.8 34.7 29.4 178.7 48 52 1 F + 0 0 95 -2,-1.1 2,-0.3 -3,-0.2 -3,-0.1 -0.288 69.2 110.7 -55.0 82.7 36.7 31.4 176.2 49 53 1 R - 0 0 42 -2,-2.0 2,-0.3 -5,-0.3 -2,-0.1 -0.980 62.0-130.4-155.7 151.9 37.0 34.3 178.6 50 54 1 N - 0 0 47 -2,-0.3 105,-0.5 103,-0.2 2,-0.4 -0.709 22.2-148.5-103.8 159.7 39.8 35.9 180.7 51 55 1 V E -Bc 42 155A 33 -9,-3.3 -9,-2.4 -2,-0.3 2,-0.6 -0.992 9.7-131.2-134.4 141.3 39.4 36.7 184.4 52 56 1 Y E -Bc 41 156A 0 103,-2.2 105,-1.0 -2,-0.4 2,-0.6 -0.784 21.8-167.7 -92.1 119.2 40.8 39.5 186.5 53 57 1 Y E -B 40 0A 90 -13,-2.6 -13,-2.4 -2,-0.6 2,-0.9 -0.938 11.1-147.6-112.3 121.2 42.3 38.2 189.8 54 58 1 A E -B 39 0A 4 -2,-0.6 2,-0.4 -15,-0.2 -15,-0.2 -0.762 16.5-160.6 -92.1 103.0 43.2 40.8 192.4 55 59 1 L E +B 38 0A 23 -17,-2.3 -17,-1.6 -2,-0.9 -2,-0.0 -0.653 17.0 164.9 -88.8 132.6 46.3 39.8 194.4 56 60 1 E - 0 0 37 -2,-0.4 2,-0.2 -19,-0.2 -40,-0.2 -0.931 54.2 -66.1-138.7 160.0 47.1 41.2 197.8 57 61 1 P - 0 0 1 0, 0.0 -20,-0.1 0, 0.0 -21,-0.0 -0.289 59.6-127.5 -52.6 112.8 49.5 40.1 200.6 58 62 1 T - 0 0 84 -2,-0.2 -43,-0.3 1,-0.1 2,-0.2 -0.320 31.5-169.0 -63.4 142.9 48.1 36.7 201.8 59 63 1 V - 0 0 63 -44,-0.0 2,-0.2 50,-0.0 -1,-0.1 -0.755 21.6 -96.9-129.1 177.1 47.5 36.4 205.5 60 64 1 S > - 0 0 53 -2,-0.2 4,-1.3 1,-0.1 -1,-0.0 -0.620 24.6-126.0 -94.5 153.9 46.7 33.8 208.1 61 65 1 S H > S+ 0 0 116 2,-0.2 4,-0.9 -2,-0.2 5,-0.1 0.682 118.3 51.0 -69.8 -18.0 43.2 33.1 209.5 62 66 1 E H > S+ 0 0 83 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.841 109.0 48.9 -83.0 -39.3 44.8 33.7 212.9 63 67 1 E H > S+ 0 0 12 3,-0.2 4,-3.9 2,-0.2 5,-0.3 0.722 101.5 75.3 -69.5 -22.1 46.2 36.9 211.7 64 68 1 A H >X S+ 0 0 38 -4,-1.3 4,-2.7 2,-0.2 3,-0.6 0.970 106.2 24.0 -51.8 -86.7 42.7 37.5 210.4 65 69 1 E H 3X S+ 0 0 69 -4,-0.9 4,-0.8 1,-0.3 -1,-0.2 0.773 121.6 64.5 -53.3 -25.7 40.8 38.4 213.6 66 70 1 V H 3X S+ 0 0 49 -4,-1.1 4,-2.3 2,-0.2 3,-0.5 0.969 110.8 32.8 -62.1 -53.5 44.2 39.4 214.9 67 71 1 I H < S+ 0 0 122 -4,-1.1 3,-1.0 2,-0.1 -1,-0.2 0.832 109.9 57.4 -99.8 -46.3 40.7 49.5 218.5 74 78 1 L H >< S+ 0 0 26 -4,-1.4 3,-0.5 1,-0.3 -2,-0.2 0.664 98.0 69.2 -59.7 -14.8 42.4 51.9 216.1 75 79 1 K T 3< S+ 0 0 51 -4,-1.3 2,-2.0 1,-0.2 -1,-0.3 0.921 84.6 65.7 -69.3 -45.4 38.9 52.6 214.8 76 80 1 K T < S+ 0 0 89 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.2 -0.071 78.5 101.6 -71.0 39.3 37.9 54.5 218.0 77 81 1 I X> - 0 0 57 -2,-2.0 3,-2.5 -3,-0.5 4,-0.6 -0.690 51.7-173.1-127.5 77.9 40.5 57.1 217.1 78 82 1 L H 3> S+ 0 0 148 -2,-0.3 4,-1.6 1,-0.3 3,-0.2 0.783 80.8 70.1 -37.8 -40.9 38.6 60.1 215.7 79 83 1 V H 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.2 14,-0.1 0.409 97.2 55.1 -64.8 6.4 41.9 61.7 214.7 80 84 1 L H <4 S+ 0 0 5 -3,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 105.0 43.3-102.6 -53.5 42.4 59.0 212.1 81 85 1 Q H < S+ 0 0 105 -4,-0.6 -2,-0.2 -6,-0.2 -3,-0.1 0.824 84.5 114.6 -63.5 -33.7 39.3 59.2 209.9 82 86 1 D >< - 0 0 43 -4,-1.6 3,-0.7 1,-0.2 8,-0.1 -0.158 49.0-167.2 -45.3 114.8 39.4 63.0 209.9 83 87 1 V T 3 S+ 0 0 98 1,-0.2 -1,-0.2 7,-0.0 4,-0.1 0.709 79.3 79.0 -78.6 -21.7 40.0 63.9 206.2 84 88 1 S T 3 S+ 0 0 108 2,-0.1 2,-0.4 3,-0.0 -1,-0.2 0.769 82.7 82.5 -56.6 -24.6 40.8 67.5 207.3 85 89 1 V S < S- 0 0 42 -3,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.673 94.3-108.9 -87.3 133.7 44.2 66.1 208.3 86 90 1 D >> - 0 0 68 -2,-0.4 4,-2.2 1,-0.1 3,-0.5 -0.283 24.1-126.7 -57.4 142.6 46.9 65.7 205.7 87 91 1 L H 3> S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.791 105.6 67.0 -63.6 -28.5 47.4 62.0 204.9 88 92 1 E H 3> S+ 0 0 71 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.901 111.7 31.2 -59.3 -43.4 51.2 62.4 205.6 89 93 1 E H X> S+ 0 0 60 -3,-0.5 4,-1.2 2,-0.2 3,-0.9 0.937 112.5 60.6 -80.2 -52.9 50.5 63.1 209.3 90 94 1 R H 3X S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.3 3,-0.4 0.876 101.3 56.5 -41.1 -50.2 47.4 61.0 209.9 91 95 1 A H 3X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.905 99.0 61.4 -50.6 -47.8 49.4 57.9 208.9 92 96 1 E H X S+ 0 0 66 -4,-2.9 3,-1.2 1,-0.2 4,-1.0 0.909 113.9 53.7 -58.5 -44.7 52.6 55.1 216.6 97 101 1 A H 3< S+ 0 0 36 -4,-4.4 3,-0.4 -5,-0.3 -1,-0.2 0.850 104.5 56.1 -59.2 -34.9 49.2 54.0 217.9 98 102 1 I H 3< S+ 0 0 56 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.695 95.6 66.6 -71.2 -19.6 50.0 50.5 216.7 99 103 1 E H << 0 0 87 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.895 360.0 360.0 -67.6 -40.0 53.2 50.5 218.8 100 104 1 K < 0 0 128 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.1 0.999 360.0 360.0 -66.9 360.0 51.1 50.5 222.0 101 ! 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 0.0 102 114 1 T > 0 0 129 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 173.2 57.4 39.4 212.5 103 115 1 D T 4 + 0 0 75 1,-0.2 -92,-0.7 2,-0.2 4,-0.2 0.309 360.0 40.2 -82.2 9.4 59.4 42.0 210.6 104 116 1 N T > S+ 0 0 52 -94,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.608 106.7 57.5-121.3 -42.7 57.3 40.8 207.6 105 117 1 F T 4 S+ 0 0 56 1,-0.2 -2,-0.2 2,-0.2 5,-0.1 0.775 101.6 64.6 -62.0 -25.1 53.9 40.4 209.2 106 118 1 Y T >X S+ 0 0 78 -4,-1.1 4,-2.4 3,-0.1 3,-1.0 0.989 108.4 34.7 -60.2 -62.7 54.3 44.1 210.2 107 119 1 S H 3> S+ 0 0 4 1,-0.3 4,-2.0 2,-0.2 2,-1.0 0.965 113.0 57.3 -57.0 -59.4 54.4 45.4 206.6 108 120 1 R H 3< S+ 0 0 39 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 0.181 114.7 44.6 -62.5 23.8 51.9 42.9 205.2 109 121 1 X H X> S+ 0 0 41 -3,-1.0 4,-2.1 -2,-1.0 3,-0.6 0.517 100.4 60.0-129.9 -51.6 49.6 44.3 207.9 110 122 1 L H 3X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.3 5,-0.3 0.847 97.1 69.4 -49.8 -33.8 50.1 48.0 207.6 111 123 1 Y H 3X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 3,-0.4 0.956 105.6 36.0 -47.3 -60.5 48.8 47.5 204.1 112 124 1 Y H <> S+ 0 0 38 -3,-0.6 4,-1.6 2,-0.2 5,-0.2 0.943 111.2 58.7 -60.5 -52.7 45.3 46.7 205.4 113 125 1 L H < S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 117.0 37.8 -48.4 -31.2 45.4 49.1 208.3 114 126 1 F H >X>S+ 0 0 1 -4,-2.2 4,-3.7 -3,-0.4 5,-2.4 0.907 108.4 60.0 -84.8 -48.3 46.0 51.7 205.5 115 127 1 R H 3<5S+ 0 0 22 -4,-3.3 6,-2.3 -5,-0.3 -2,-0.2 0.628 113.4 41.9 -55.1 -14.5 43.7 50.2 202.9 116 128 1 D T 3<5S+ 0 0 59 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.456 123.9 32.6-113.9 -4.5 40.9 50.7 205.4 117 129 1 F T <45S+ 0 0 32 -3,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.667 141.8 9.6-116.7 -36.9 41.7 54.1 206.8 118 130 1 F T <5S+ 0 0 24 -4,-3.7 -3,-0.2 -5,-0.1 -4,-0.1 0.524 121.2 66.3-120.2 -14.9 43.2 55.8 203.8 119 131 1 G S - 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0 0 87 -3,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.045 69.6-131.3 -50.3 152.0 51.9 60.9 175.3 474 486 1 Y H > S+ 0 0 26 2,-0.2 4,-3.1 3,-0.2 5,-0.2 0.875 105.4 53.5 -76.9 -36.2 49.5 63.8 175.7 475 487 1 K H > S+ 0 0 86 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.933 116.9 38.5 -63.5 -44.6 51.3 65.4 178.6 476 488 1 E H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.886 116.5 52.2 -73.4 -38.8 54.6 65.4 176.7 477 489 1 V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.4 0.956 107.0 51.4 -63.0 -49.1 53.0 66.3 173.4 478 490 1 T H X S+ 0 0 4 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.823 107.7 56.3 -58.4 -27.8 51.1 69.3 174.8 479 491 1 R H X S+ 0 0 116 -4,-0.9 4,-1.8 -5,-0.2 -1,-0.2 0.910 108.4 44.0 -70.7 -41.2 54.5 70.4 176.1 480 492 1 Y H X S+ 0 0 57 -4,-1.7 4,-1.7 -3,-0.4 -1,-0.2 0.693 116.1 47.8 -76.5 -20.7 56.2 70.4 172.8 481 493 1 I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.887 110.1 50.0 -84.5 -45.1 53.3 72.1 171.1 482 494 1 H H X S+ 0 0 36 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.940 109.6 57.7 -54.6 -41.2 53.0 74.8 173.8 483 495 1 A H X S+ 0 0 35 -4,-1.8 4,-2.0 1,-0.2 3,-0.4 0.957 102.8 48.6 -49.8 -63.1 56.7 75.0 173.0 484 496 1 Y H < S+ 0 0 5 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.827 108.2 56.3 -49.6 -39.0 56.3 75.8 169.4 485 497 1 Y H < S+ 0 0 36 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.947 107.6 48.1 -60.9 -48.0 53.7 78.5 170.2 486 498 1 R H < S- 0 0 146 -4,-2.1 -2,-0.2 -3,-0.4 -1,-0.2 0.908 139.0 -9.2 -59.9 -46.6 56.2 80.3 172.5 487 499 1 N X - 0 0 78 -4,-2.0 4,-2.7 1,-0.1 -1,-0.2 -0.661 56.8-170.9-157.2 94.2 59.1 80.3 170.1 488 500 1 P H > S+ 0 0 41 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.845 89.0 56.3 -55.2 -34.1 58.9 78.3 166.8 489 501 1 E H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.991 113.8 35.1 -61.5 -64.1 62.5 79.0 166.1 490 502 1 L H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.857 117.0 57.1 -58.4 -38.3 64.0 77.6 169.3 491 503 1 A H X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.957 106.0 48.7 -59.0 -51.9 61.3 74.9 169.4 492 504 1 X H X S+ 0 0 23 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.860 110.0 51.6 -57.0 -41.4 62.3 73.6 165.9 493 505 1 T H X S+ 0 0 77 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.910 107.8 49.6 -66.5 -43.7 66.0 73.5 166.8 494 506 1 K H ><>S+ 0 0 88 -4,-2.0 5,-2.1 1,-0.2 3,-0.7 0.926 110.3 53.8 -61.2 -40.4 65.5 71.5 170.0 495 507 1 X H ><5S+ 0 0 3 -4,-2.0 3,-0.7 1,-0.3 -2,-0.2 0.923 109.0 46.5 -59.2 -46.1 63.3 69.1 168.0 496 508 1 E H 3<5S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.628 112.3 54.1 -72.6 -11.9 66.0 68.5 165.3 497 509 1 E T <<5S- 0 0 135 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.1 -0.432 112.8-113.5-118.4 53.9 68.6 68.1 168.1 498 510 1 G T < 5 0 0 58 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.610 360.0 360.0 16.8 50.6 66.8 65.3 170.0 499 511 1 L < 0 0 116 -5,-2.1 -1,-0.2 -6,-0.1 -4,-0.2 0.416 360.0 360.0-137.1 360.0 66.2 67.5 173.1 500 !* 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 0.0 501 5 2 H > 0 0 59 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -60.9 3.3 29.3 200.8 502 6 2 Y H > + 0 0 3 1,-0.2 4,-4.0 2,-0.2 5,-0.2 0.764 360.0 60.2 -69.5 -27.7 1.8 25.8 200.4 503 7 2 D H > S+ 0 0 113 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.916 107.5 48.9 -65.2 -38.0 5.1 23.9 200.9 504 8 2 I H >> S+ 0 0 19 2,-0.2 3,-1.3 1,-0.2 4,-1.1 0.975 114.8 43.8 -60.7 -54.6 5.2 25.6 204.3 505 9 2 L H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.964 105.2 60.9 -53.6 -58.9 1.6 24.5 204.9 506 10 2 R H 3< S+ 0 0 64 -4,-4.0 -1,-0.3 1,-0.2 4,-0.3 0.702 101.9 59.8 -43.0 -21.1 2.2 21.0 203.5 507 11 2 R H X< S+ 0 0 159 -3,-1.3 3,-0.6 -4,-0.7 -1,-0.2 0.989 112.7 30.5 -70.8 -72.4 4.7 20.8 206.4 508 12 2 H H 3< S+ 0 0 48 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.605 86.3 119.3 -62.7 -13.9 2.4 21.4 209.3 509 13 2 I T 3< - 0 0 28 -4,-2.3 -1,-0.2 -5,-0.2 109,-0.2 0.689 53.9-162.1 -16.9 -62.3 -0.5 19.7 207.4 510 14 2 R < + 0 0 103 -3,-0.6 2,-0.3 -4,-0.3 -1,-0.2 0.498 64.9 7.4 80.5 8.2 -0.8 17.0 210.1 511 15 2 S - 0 0 36 -5,-0.1 2,-0.2 103,-0.1 3,-0.1 -0.889 65.6-136.9 164.2 167.1 -2.7 14.8 207.6 512 16 2 E + 0 0 112 -2,-0.3 103,-0.1 1,-0.2 24,-0.0 -0.722 66.8 71.5-134.6-175.8 -3.8 14.3 204.0 513 17 2 D + 0 0 132 -2,-0.2 -1,-0.2 1,-0.1 23,-0.1 1.000 49.8 146.5 63.5 68.1 -7.0 13.2 202.3 514 18 2 L + 0 0 9 21,-0.7 44,-0.7 -3,-0.1 2,-0.4 0.447 45.9 86.0-110.3 -10.2 -9.1 16.4 203.1 515 19 2 L - 0 0 20 20,-0.3 22,-0.1 42,-0.2 2,-0.0 -0.779 57.6-164.6 -99.8 140.5 -11.0 16.3 199.9 516 20 2 E - 0 0 75 -2,-0.4 -1,-0.1 -3,-0.0 -2,-0.1 0.119 34.7 -87.2 -94.6-148.8 -14.2 14.4 199.3 517 21 2 T - 0 0 122 -2,-0.0 -2,-0.0 2,-0.0 0, 0.0 -0.957 42.1-122.0-134.9 114.0 -15.9 13.6 196.0 518 22 2 P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 37,-0.0 0.084 11.1-132.2 -50.2 161.4 -18.4 16.1 194.5 519 23 2 E + 0 0 155 2,-0.0 2,-0.9 0, 0.0 -2,-0.0 -0.620 27.5 175.3-120.8 69.6 -22.0 15.4 193.6 520 24 2 F - 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0 0 38 0, 0.0 4,-2.6 0, 0.0 5,-0.1 -0.286 22.4-124.3 -64.6 148.4 9.8 32.0 163.8 743 247 2 S H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.798 113.2 56.7 -63.6 -27.2 13.3 30.6 164.6 744 248 2 G H > S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.962 107.6 44.1 -68.0 -52.1 14.6 32.6 161.7 745 249 2 V H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.930 113.6 53.7 -56.7 -44.2 13.3 35.9 163.1 746 250 2 L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.915 109.2 46.5 -56.5 -46.3 14.6 34.8 166.5 747 251 2 A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.906 110.7 54.0 -62.9 -42.2 18.1 34.2 165.0 748 252 2 Y H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.942 110.5 46.3 -56.3 -47.1 17.8 37.6 163.3 749 253 2 L H X S+ 0 0 4 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.870 105.7 59.6 -64.4 -38.0 17.1 39.2 166.6 750 254 2 W H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.968 110.2 41.9 -54.4 -55.5 19.9 37.3 168.4 751 255 2 L H X S+ 0 0 4 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.913 113.3 55.9 -57.2 -44.3 22.4 38.9 166.0 752 256 2 A H <>S+ 0 0 1 -4,-2.2 5,-3.0 -5,-0.2 -1,-0.2 0.905 110.5 40.9 -59.0 -45.4 20.7 42.2 166.3 753 257 2 I H ><5S+ 0 0 4 -4,-3.0 3,-1.4 3,-0.2 -1,-0.2 0.838 112.7 56.3 -76.5 -25.7 20.9 42.5 170.0 754 258 2 E H 3<5S+ 0 0 53 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.965 108.1 47.8 -64.0 -48.2 24.4 41.1 169.9 755 259 2 H T 3<5S- 0 0 18 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.088 122.2-113.0 -79.4 25.9 25.3 44.0 167.6 756 260 2 K T < 5 + 0 0 76 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.765 54.1 167.3 47.4 39.5 23.5 46.3 170.0 757 261 2 F < - 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0 0 77 -2,-0.3 2,-0.1 1,-0.1 -14,-0.0 -0.803 57.6 -89.8-102.5 146.5 15.0 40.2 153.6 940 447 2 P > - 0 0 5 0, 0.0 3,-0.8 0, 0.0 4,-0.2 -0.291 27.0-161.3 -56.3 125.0 16.3 42.2 156.6 941 448 2 K T >> S+ 0 0 113 1,-0.2 3,-1.2 2,-0.2 4,-0.7 0.675 87.1 73.8 -79.4 -17.9 18.0 45.4 155.5 942 449 2 K H 3> S+ 0 0 15 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.598 77.8 77.8 -70.8 -9.7 19.6 45.5 159.0 943 450 2 L H <> S+ 0 0 0 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.791 90.8 52.5 -69.5 -27.7 21.9 42.6 157.8 944 451 2 E H <> S+ 0 0 104 -3,-1.2 4,-2.3 2,-0.2 5,-0.2 0.866 103.8 54.7 -75.4 -37.7 24.0 45.1 155.8 945 452 2 K H X S+ 0 0 96 -4,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.868 111.8 47.3 -62.7 -33.2 24.5 47.4 158.8 946 453 2 X H X S+ 0 0 0 -4,-1.3 4,-0.8 2,-0.2 -2,-0.2 0.914 106.6 55.7 -72.3 -45.0 25.8 44.3 160.5 947 454 2 A H >X>S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 5,-1.7 0.917 111.6 43.9 -53.9 -48.0 28.1 43.2 157.6 948 455 2 D H 3<5S+ 0 0 114 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.958 106.6 58.3 -65.0 -49.3 29.8 46.6 157.7 949 456 2 F H 3<5S+ 0 0 86 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.678 119.8 33.3 -55.4 -12.8 30.1 46.6 161.5 950 457 2 L H <<5S- 0 0 67 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.607 104.3-122.6-115.3 -22.4 32.0 43.4 161.0 951 458 2 G T <5S+ 0 0 13 -4,-2.1 2,-0.2 -3,-0.3 -3,-0.2 0.670 72.7 118.2 84.4 18.5 33.8 43.8 157.7 952 459 2 V S > - 0 0 66 -2,-0.2 4,-1.6 1,-0.1 3,-0.8 -0.438 32.8-117.2 -76.1 152.7 29.9 40.3 153.2 954 461 2 V H 3> S+ 0 0 45 1,-0.3 4,-2.7 2,-0.2 3,-0.2 0.903 119.4 59.6 -54.0 -38.4 26.2 40.4 153.7 955 462 2 Q H 3> S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.879 102.4 52.2 -56.3 -39.6 26.2 36.8 152.5 956 463 2 E H <> S+ 0 0 115 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.862 109.8 47.1 -66.9 -37.2 28.5 36.0 155.4 957 464 2 V H >X S+ 0 0 4 -4,-1.6 4,-2.2 -3,-0.2 3,-0.6 0.942 109.0 55.2 -68.4 -47.6 26.2 37.5 158.1 958 465 2 Y H 3X S+ 0 0 84 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.888 106.7 49.5 -52.3 -45.2 23.2 35.8 156.6 959 466 2 D H 3X S+ 0 0 78 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.785 107.3 55.3 -67.1 -27.6 24.8 32.3 156.9 960 467 2 E H S+ 0 0 0 -4,-1.9 5,-2.1 -5,-0.2 -2,-0.2 0.873 113.6 47.4 -67.2 -38.0 17.8 23.1 171.2 972 479 2 L H ><5S+ 0 0 36 -4,-2.0 3,-2.8 1,-0.2 -2,-0.2 0.971 109.9 50.5 -66.1 -54.2 14.1 22.9 170.7 973 480 2 K H 3<5S+ 0 0 179 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.748 110.7 51.9 -56.9 -25.5 14.3 19.4 169.2 974 481 2 R T 3<5S- 0 0 94 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.311 117.7-114.9 -94.0 6.9 16.4 18.4 172.2 975 482 2 G T < 5 + 0 0 30 -3,-2.8 2,-0.7 1,-0.2 -3,-0.2 0.952 59.5 153.9 59.5 55.1 13.8 19.8 174.6 976 483 2 I < + 0 0 5 -5,-2.1 -1,-0.2 1,-0.1 -2,-0.1 -0.904 14.0 137.7-113.2 96.2 15.8 22.6 176.1 977 484 2 R + 0 0 84 -2,-0.7 -243,-0.4 -3,-0.1 -246,-0.2 0.776 29.2 97.0-113.0 -36.9 13.2 25.1 177.2 978 485 2 N S > S- 0 0 101 1,-0.1 4,-3.0 -245,-0.1 5,-0.2 -0.249 72.0-123.9 -61.6 146.2 13.8 26.6 180.6 979 486 2 Y H > S+ 0 0 21 -250,-0.4 4,-3.3 2,-0.2 5,-0.3 0.887 105.5 50.9 -60.4 -44.7 15.5 29.9 180.8 980 487 2 K H > S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.944 118.3 38.9 -61.2 -45.4 18.5 29.0 183.0 981 488 2 E H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.888 117.8 49.0 -72.5 -36.6 19.4 26.1 180.8 982 489 2 V H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.968 111.8 48.3 -66.1 -49.4 18.6 28.0 177.6 983 490 2 T H X S+ 0 0 4 -4,-3.3 4,-2.7 -5,-0.2 5,-0.2 0.895 109.5 56.5 -54.5 -39.1 20.6 31.0 178.7 984 491 2 R H X S+ 0 0 127 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.931 109.6 42.8 -58.9 -48.5 23.4 28.5 179.5 985 492 2 Y H X S+ 0 0 57 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.759 114.2 51.2 -70.9 -27.4 23.5 27.1 176.0 986 493 2 I H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.912 105.4 54.2 -76.4 -42.3 23.3 30.4 174.4 987 494 2 H H X S+ 0 0 32 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.837 106.9 56.7 -57.3 -32.5 26.1 31.9 176.4 988 495 2 A H X S+ 0 0 42 -4,-1.2 4,-2.5 -5,-0.2 -2,-0.2 0.985 100.6 52.1 -63.1 -59.9 28.0 28.9 175.1 989 496 2 Y H < S+ 0 0 3 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.793 110.9 53.5 -47.6 -29.6 27.5 29.6 171.4 990 497 2 Y H < S+ 0 0 38 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.977 107.3 47.2 -68.4 -57.4 28.8 33.1 172.3 991 498 2 R H < S- 0 0 49 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.856 140.1 -8.9 -52.3 -42.3 32.0 31.9 174.0 992 499 2 N X - 0 0 33 -4,-2.5 4,-1.3 -5,-0.1 -1,-0.3 -0.780 61.0-164.8-164.1 112.9 32.7 29.5 171.0 993 500 2 P H > S+ 0 0 36 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.931 87.5 43.3 -64.8 -55.3 30.3 28.8 168.1 994 501 2 E H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.889 116.4 47.4 -64.9 -40.8 31.8 25.7 166.5 995 502 2 L H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 115.1 49.0 -66.2 -35.9 32.5 23.9 169.8 996 503 2 A H X S+ 0 0 8 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.883 110.7 48.9 -68.9 -41.0 29.0 24.9 170.8 997 504 2 X H X S+ 0 0 27 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.937 112.3 48.0 -64.7 -48.6 27.4 23.6 167.6 998 505 2 T H X S+ 0 0 71 -4,-2.5 4,-1.1 1,-0.2 6,-0.2 0.976 110.5 49.8 -56.7 -58.1 29.2 20.3 167.8 999 506 2 K H <>S+ 0 0 86 -4,-2.2 5,-0.8 1,-0.2 -1,-0.2 0.779 111.1 53.5 -53.4 -27.7 28.3 19.7 171.4 1000 507 2 X H ><5S+ 0 0 2 -4,-1.2 3,-1.5 1,-0.2 -1,-0.2 0.988 114.5 36.6 -70.9 -60.6 24.7 20.5 170.5 1001 508 2 E H 3<5S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.450 114.7 60.5 -73.0 3.6 24.4 18.0 167.7 1002 509 2 E T 3<5S- 0 0 139 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.246 114.3-109.2-113.9 11.1 26.5 15.5 169.6 1003 510 2 G T < 5 0 0 53 -3,-1.5 -3,-0.1 -5,-0.2 -4,-0.1 0.238 360.0 360.0 83.7 -14.4 24.3 15.2 172.6 1004 511 2 L < 0 0 127 -5,-0.8 -4,-0.1 -6,-0.2 -1,-0.1 -0.104 360.0 360.0 -76.3 360.0 26.5 17.0 175.1