==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 17-FEB-11 3AUX . COMPND 2 MOLECULE: DNA DOUBLE-STRAND BREAK REPAIR RAD50 ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII, . AUTHOR H.S.LIM,Y.CHO . 348 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 17.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 31 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 0 1 2 0 0 0 0 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 80 0, 0.0 2,-0.4 0, 0.0 281,-0.1 0.000 360.0 360.0 360.0 -73.5 80.1 -46.1 23.5 2 2 A S - 0 0 17 281,-0.1 76,-1.0 278,-0.1 2,-0.2 -0.921 360.0-157.1-115.9 139.8 78.2 -46.7 20.2 3 3 A M E -A 77 0A 2 -2,-0.4 2,-0.4 74,-0.2 74,-0.2 -0.477 16.6-133.2-108.6 174.2 77.3 -44.1 17.6 4 4 A I E -A 76 0A 8 72,-1.8 72,-1.9 -2,-0.2 2,-0.5 -0.998 25.5-133.6-126.3 120.7 74.9 -43.4 14.7 5 5 A L E +A 75 0A 2 -2,-0.4 70,-0.2 70,-0.2 3,-0.1 -0.662 32.3 167.3 -77.5 123.9 76.4 -42.0 11.6 6 6 A K E - 0 0 70 68,-2.4 17,-2.7 -2,-0.5 2,-0.3 0.837 58.3 -11.3-102.6 -55.3 74.2 -39.0 10.4 7 7 A E E -AB 74 22A 37 67,-2.1 67,-2.7 15,-0.2 2,-0.3 -0.947 48.2-167.5-157.7 132.6 76.2 -37.2 7.8 8 8 A I E -AB 73 21A 0 13,-2.8 13,-3.1 -2,-0.3 2,-0.3 -0.887 9.2-177.3-114.8 148.2 79.6 -37.0 6.3 9 9 A R E -AB 72 20A 52 63,-1.0 63,-2.9 -2,-0.3 2,-0.3 -0.961 7.3-170.2-147.7 122.9 80.9 -34.3 3.9 10 10 A M E -AB 71 19A 1 9,-2.6 9,-1.5 -2,-0.3 2,-0.4 -0.868 14.6-162.3-122.6 155.6 84.3 -34.2 2.3 11 11 A N E S-AB 70 18A 44 59,-1.7 59,-2.0 -2,-0.3 7,-0.2 -0.959 81.1 -16.8-135.5 113.9 86.4 -31.7 0.4 12 12 A N E S+ 0 0 25 5,-2.2 51,-2.5 -2,-0.4 2,-0.8 0.877 84.8 155.4 60.5 40.9 89.4 -33.0 -1.7 13 13 A F E > -CB 62 16A 1 3,-3.0 3,-2.4 49,-0.2 49,-0.3 -0.872 65.8 -72.4-100.9 105.7 89.4 -36.3 0.2 14 14 A K T 3 S- 0 0 62 47,-3.5 49,-0.2 -2,-0.8 47,-0.1 -0.105 119.9 -3.2 44.1-135.2 91.1 -38.8 -2.2 15 15 A S T 3 S+ 0 0 20 1,-0.2 328,-1.9 327,-0.1 2,-1.3 0.761 124.2 80.3 -54.3 -28.5 88.7 -39.6 -5.0 16 16 A H E < +B 13 0A 0 -3,-2.4 -3,-3.0 326,-0.2 3,-0.3 -0.661 47.3 164.9 -86.7 89.6 86.0 -37.4 -3.3 17 17 A V E S+ 0 0 42 -2,-1.3 -5,-2.2 -5,-0.3 2,-0.2 0.870 84.3 0.6 -71.1 -34.1 86.9 -33.8 -4.3 18 18 A N E S+B 11 0A 109 325,-0.3 2,-0.3 -7,-0.2 -1,-0.3 -0.714 84.8 148.5-158.9 99.0 83.5 -32.7 -3.3 19 19 A S E -B 10 0A 7 -9,-1.5 -9,-2.6 -3,-0.3 2,-0.4 -0.993 23.2-166.3-136.7 142.3 80.9 -35.2 -1.8 20 20 A R E -B 9 0A 143 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.986 13.5-176.2-129.9 122.5 78.1 -35.0 0.7 21 21 A I E -B 8 0A 1 -13,-3.1 -13,-2.8 -2,-0.4 2,-0.4 -0.966 11.1-163.1-130.2 128.9 76.5 -38.1 2.1 22 22 A K E -B 7 0A 112 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.879 11.9-153.7-107.5 132.6 73.7 -38.6 4.5 23 23 A F - 0 0 7 -17,-2.7 2,-0.3 -2,-0.4 295,-0.0 -0.778 6.1-155.8-105.9 151.9 73.1 -41.9 6.3 24 24 A E - 0 0 70 -2,-0.3 -19,-0.1 1,-0.1 2,-0.1 -0.778 25.5-101.0-120.4 165.2 69.8 -43.3 7.6 25 25 A K S S+ 0 0 121 -2,-0.3 291,-0.3 291,-0.1 2,-0.3 -0.401 90.9 41.3 -75.4 163.6 68.9 -45.8 10.3 26 26 A G E S-g 316 0B 20 289,-3.8 291,-2.9 288,-0.2 2,-0.6 -0.667 114.8 -19.5 96.7-155.1 68.1 -49.3 9.0 27 27 A I E -g 317 0B 5 -2,-0.3 304,-2.9 289,-0.2 305,-1.9 -0.827 61.0-170.5 -97.3 119.3 70.0 -51.0 6.3 28 28 A V E -gh 318 332B 0 289,-2.9 291,-3.3 -2,-0.6 2,-0.5 -0.931 4.3-162.0-109.6 127.2 72.2 -48.8 4.1 29 29 A A E -gh 319 333B 2 303,-2.2 305,-3.0 -2,-0.5 2,-0.9 -0.940 5.8-163.1-111.3 119.5 73.8 -50.2 1.0 30 30 A I E -gh 320 334B 0 289,-2.4 291,-2.6 -2,-0.5 2,-0.4 -0.885 23.6-174.7 -98.0 101.4 76.7 -48.2 -0.6 31 31 A I E +gh 321 335B 2 303,-1.4 305,-2.0 -2,-0.9 2,-0.2 -0.855 17.6 128.8-106.5 135.1 76.8 -49.8 -4.0 32 32 A G - 0 0 5 289,-2.0 3,-0.1 -2,-0.4 4,-0.1 -0.857 55.8 -85.1-179.9 142.8 79.5 -49.1 -6.7 33 33 A E > - 0 0 142 303,-0.4 3,-2.0 -2,-0.2 5,-0.2 -0.020 66.9 -76.2 -50.0 156.0 81.9 -50.7 -9.1 34 34 A N T 3 S+ 0 0 121 1,-0.3 -1,-0.1 2,-0.1 288,-0.0 -0.262 120.5 19.2 -55.4 136.9 85.3 -51.6 -7.7 35 35 A G T 3 S+ 0 0 45 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.429 86.4 122.2 82.0 -1.1 87.5 -48.5 -7.3 36 36 A S S < S- 0 0 4 -3,-2.0 308,-0.3 -4,-0.1 -2,-0.1 0.529 86.9 -95.4 -73.9 -9.4 84.6 -46.1 -7.4 37 37 A G S > S+ 0 0 8 -4,-0.1 4,-0.6 306,-0.1 300,-0.1 0.708 81.3 127.9 105.2 22.3 85.3 -44.4 -4.0 38 38 A K H >> S+ 0 0 14 -5,-0.2 3,-1.2 1,-0.2 4,-0.7 0.966 74.6 47.7 -74.2 -55.4 83.1 -46.2 -1.5 39 39 A S H 3> S+ 0 0 45 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.667 103.2 64.0 -61.2 -18.9 85.7 -47.1 1.2 40 40 A S H 3> S+ 0 0 12 2,-0.2 4,-3.3 1,-0.2 -1,-0.3 0.846 92.0 65.9 -72.4 -33.0 87.1 -43.6 1.1 41 41 A I H - 0 0 55 1,-0.1 3,-1.0 -2,-0.0 2,-0.5 -0.263 48.7 -65.4 -90.5-176.0 98.3 -39.5 13.4 54 54 A S T 3 S- 0 0 129 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.619 124.1 -0.2 -75.4 123.0 101.6 -38.2 14.7 55 55 A N T 3 S+ 0 0 163 -2,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.957 94.7 179.9 61.4 52.3 103.8 -37.3 11.7 56 56 A F < - 0 0 62 -3,-1.0 2,-1.2 1,-0.0 -1,-0.2 -0.690 32.4-123.4 -89.7 135.9 101.1 -38.4 9.3 57 57 A N > - 0 0 99 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.651 20.6-164.2 -81.7 96.8 101.6 -38.1 5.5 58 58 A Y T 3> S+ 0 0 38 -2,-1.2 4,-1.4 1,-0.3 -1,-0.1 0.349 76.9 79.2 -64.1 6.5 98.7 -35.9 4.3 59 59 A D T 34 S+ 0 0 109 2,-0.2 -1,-0.3 1,-0.2 -45,-0.1 0.739 82.2 65.9 -85.0 -23.2 99.1 -36.9 0.7 60 60 A T T <4 S+ 0 0 81 -3,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.872 114.6 26.5 -64.1 -39.1 97.3 -40.2 1.4 61 61 A I T 4 S+ 0 0 10 -4,-0.3 -47,-3.5 2,-0.1 2,-0.3 0.800 101.9 88.4 -95.3 -35.4 94.0 -38.5 2.1 62 62 A I B < S-C 13 0A 6 -4,-1.4 -49,-0.2 -49,-0.3 7,-0.1 -0.494 90.6-107.3 -70.2 127.8 94.3 -35.2 0.1 63 63 A T > - 0 0 20 -51,-2.5 3,-0.8 5,-0.3 5,-0.2 -0.331 31.9-121.0 -53.4 127.4 93.0 -35.6 -3.5 64 64 A K T 3 S+ 0 0 186 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.716 101.2 79.6 -46.0 -27.8 96.2 -35.5 -5.5 65 65 A G T 3 S- 0 0 68 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.946 107.3 -8.1 -45.9 -65.0 95.0 -32.5 -7.5 66 66 A K S < S- 0 0 102 -3,-0.8 2,-0.2 2,-0.2 -4,-0.0 -0.223 73.8 -95.4-118.0-156.3 95.9 -29.9 -4.8 67 67 A K S S+ 0 0 122 -2,-0.1 23,-1.1 23,-0.0 2,-0.3 -0.619 82.1 82.4-131.7 72.8 97.0 -29.5 -1.2 68 68 A S E - D 0 89A 32 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.3 -0.867 44.7-176.9-172.6 136.2 94.0 -29.1 1.0 69 69 A V E - D 0 88A 1 19,-2.5 19,-2.3 -2,-0.3 2,-0.3 -0.988 2.0-178.2-140.9 149.2 91.4 -31.4 2.6 70 70 A Y E +AD 11 87A 59 -59,-2.0 -59,-1.7 -2,-0.3 2,-0.4 -0.902 1.6 179.1-153.3 120.9 88.2 -30.9 4.7 71 71 A V E -AD 10 86A 0 15,-2.5 15,-2.2 -2,-0.3 2,-0.5 -0.968 5.5-170.4-125.8 136.6 85.9 -33.4 6.3 72 72 A E E -AD 9 85A 13 -63,-2.9 -63,-1.0 -2,-0.4 2,-0.4 -0.960 7.4-172.1-129.3 114.2 82.8 -32.8 8.4 73 73 A L E -AD 8 84A 0 11,-2.4 11,-2.9 -2,-0.5 2,-0.6 -0.898 10.4-164.1-112.7 136.1 81.0 -35.6 10.2 74 74 A D E +AD 7 83A 31 -67,-2.7 -68,-2.4 -2,-0.4 -67,-2.1 -0.966 28.5 152.7-116.2 110.8 77.7 -35.4 12.1 75 75 A F E -AD 5 82A 4 7,-1.6 7,-3.2 -2,-0.6 2,-0.4 -0.888 34.0-136.1-134.9 165.5 77.2 -38.4 14.4 76 76 A E E -AD 4 81A 42 -72,-1.9 -72,-1.8 -2,-0.3 2,-0.5 -0.989 13.8-169.7-129.2 134.7 75.3 -39.0 17.5 77 77 A V E > -AD 3 80A 3 3,-1.6 3,-1.8 -2,-0.4 -74,-0.2 -0.985 68.2 -25.1-127.7 123.0 76.6 -40.8 20.6 78 78 A N T 3 S- 0 0 141 -76,-1.0 -1,-0.1 -2,-0.5 3,-0.1 0.871 129.1 -38.5 43.7 57.8 74.4 -41.9 23.5 79 79 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.399 115.6 108.0 81.3 -3.0 71.7 -39.3 23.0 80 80 A N E < -D 77 0A 45 -3,-1.8 -3,-1.6 19,-0.0 2,-0.6 -0.858 62.2-133.9-111.9 146.2 74.0 -36.4 22.0 81 81 A N E -D 76 0A 75 -2,-0.3 19,-3.0 -5,-0.2 20,-0.5 -0.848 27.1-173.2 -98.7 121.3 74.4 -34.7 18.6 82 82 A Y E -DE 75 99A 8 -7,-3.2 -7,-1.6 -2,-0.6 2,-0.4 -0.858 18.4-167.5-117.9 151.3 78.0 -34.1 17.5 83 83 A K E -DE 74 98A 57 15,-1.8 15,-2.7 -2,-0.3 2,-0.4 -0.967 12.5-170.8-134.6 111.5 79.6 -32.3 14.6 84 84 A I E -DE 73 97A 0 -11,-2.9 -11,-2.4 -2,-0.4 2,-0.4 -0.900 0.3-170.3-106.8 133.6 83.3 -33.0 14.2 85 85 A I E +DE 72 96A 19 11,-3.0 11,-2.8 -2,-0.4 2,-0.4 -0.981 6.7 176.2-129.8 120.4 85.2 -30.9 11.7 86 86 A R E +DE 71 95A 7 -15,-2.2 -15,-2.5 -2,-0.4 2,-0.3 -0.977 10.0 165.2-124.6 133.1 88.8 -31.8 10.8 87 87 A E E -DE 70 94A 57 7,-2.4 7,-2.7 -2,-0.4 2,-0.3 -0.984 19.0-168.1-148.7 159.8 90.8 -29.9 8.1 88 88 A Y E +DE 69 93A 42 -19,-2.3 -19,-2.5 -2,-0.3 2,-0.4 -0.951 8.3 171.9-153.5 127.2 94.3 -29.3 6.8 89 89 A D E > -DE 68 92A 70 3,-3.6 3,-2.4 -2,-0.3 -21,-0.2 -0.972 69.1 -25.3-141.0 122.9 95.7 -26.8 4.3 90 90 A S T 3 S- 0 0 66 -23,-1.1 -1,-0.1 -2,-0.4 3,-0.1 0.910 127.9 -39.9 40.1 72.4 99.3 -26.2 3.5 91 91 A G T 3 S+ 0 0 49 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.283 118.4 114.5 67.9 -15.4 100.9 -27.5 6.7 92 92 A R E < +E 89 0A 124 -3,-2.4 -3,-3.6 2,-0.0 2,-0.3 -0.797 43.4 178.8 -94.2 115.4 98.1 -25.9 8.6 93 93 A G E +E 88 0A 27 -2,-0.7 2,-0.3 -5,-0.3 -5,-0.3 -0.854 3.7 168.4-115.5 151.4 95.8 -28.3 10.4 94 94 A G E -E 87 0A 9 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.3 -0.964 12.9-164.4-152.1 167.0 92.7 -27.6 12.6 95 95 A A E -E 86 0A 4 11,-0.4 2,-0.3 -2,-0.3 -9,-0.2 -0.980 3.3-174.0-157.0 144.2 89.8 -29.4 14.3 96 96 A K E -E 85 0A 91 -11,-2.8 -11,-3.0 -2,-0.3 2,-0.4 -0.986 5.8-160.9-140.5 149.4 86.5 -28.4 15.9 97 97 A L E -EF 84 105A 1 8,-2.6 7,-2.8 -2,-0.3 8,-1.7 -0.993 2.3-165.9-138.0 131.1 83.8 -30.2 17.8 98 98 A Y E -EF 83 103A 70 -15,-2.7 -15,-1.8 -2,-0.4 2,-0.5 -0.911 3.3-162.0-117.0 140.8 80.2 -29.3 18.5 99 99 A K E > S-EF 82 102A 62 3,-2.8 3,-1.7 -2,-0.4 -17,-0.2 -0.989 78.0 -16.6-123.5 126.3 77.9 -30.9 21.0 100 100 A N T 3 S- 0 0 80 -19,-3.0 -1,-0.1 -2,-0.5 -18,-0.1 0.844 131.1 -50.1 47.4 40.7 74.2 -30.4 20.6 101 101 A G T 3 S+ 0 0 54 -20,-0.5 -1,-0.3 1,-0.2 -19,-0.1 0.582 119.0 97.6 80.7 11.5 74.8 -27.4 18.3 102 102 A K E < S-F 99 0A 141 -3,-1.7 -3,-2.8 0, 0.0 -1,-0.2 -0.978 81.8 -90.9-133.5 145.6 77.3 -25.6 20.5 103 103 A P E +F 98 0A 92 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.194 45.1 162.4 -53.4 140.1 81.2 -25.4 20.4 104 104 A Y E + 0 0 104 -7,-2.8 2,-0.4 1,-0.4 -6,-0.2 0.608 65.9 15.7-126.9 -44.5 82.8 -28.0 22.7 105 105 A A E +F 97 0A 7 -8,-1.7 -8,-2.6 1,-0.1 -1,-0.4 -0.999 50.4 177.2-138.2 137.8 86.4 -28.3 21.5 106 106 A T + 0 0 99 -2,-0.4 -11,-0.4 -10,-0.2 2,-0.4 0.473 60.6 68.7-120.3 -5.5 88.4 -25.9 19.3 107 107 A T S > S- 0 0 70 -13,-0.1 4,-3.2 1,-0.1 5,-0.4 -0.961 81.0-119.9-124.1 137.5 91.9 -27.4 19.1 108 108 A I H > S+ 0 0 69 -2,-0.4 4,-1.3 1,-0.3 -1,-0.1 0.780 117.3 45.6 -33.6 -43.3 93.2 -30.5 17.5 109 109 A S H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.957 114.1 44.5 -71.1 -52.6 94.3 -31.7 20.9 110 110 A A H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.808 110.8 56.8 -63.4 -29.0 91.2 -30.8 22.9 111 111 A V H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.900 108.9 46.2 -68.7 -38.7 89.1 -32.3 20.1 112 112 A N H X S+ 0 0 59 -4,-1.3 4,-3.1 -5,-0.4 5,-0.3 0.947 110.0 51.5 -67.0 -50.7 90.9 -35.6 20.5 113 113 A K H X S+ 0 0 159 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.861 114.9 46.1 -54.3 -36.1 90.7 -35.6 24.3 114 114 A A H X S+ 0 0 7 -4,-1.7 4,-1.0 -5,-0.2 -2,-0.2 0.928 111.5 48.8 -73.3 -48.0 86.9 -35.0 23.8 115 115 A V H >X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 3,-0.9 0.932 111.1 51.1 -57.7 -46.6 86.4 -37.7 21.1 116 116 A N H 3X S+ 0 0 87 -4,-3.1 4,-1.6 1,-0.3 5,-0.4 0.838 110.9 48.3 -60.9 -34.5 88.3 -40.3 23.2 117 117 A E H 3< S+ 0 0 128 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.620 110.1 53.1 -81.5 -14.3 86.1 -39.5 26.2 118 118 A I H << S+ 0 0 26 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.846 114.8 37.9 -87.0 -39.6 82.9 -39.7 24.1 119 119 A L H < S- 0 0 2 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.1 0.862 91.2-145.0 -79.0 -38.4 83.5 -43.1 22.6 120 120 A G S < S+ 0 0 49 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.1 0.689 71.4 78.4 78.5 19.3 85.1 -44.6 25.7 121 121 A V S S- 0 0 8 -5,-0.4 -1,-0.3 -120,-0.0 -2,-0.2 -0.970 81.3-105.5-151.6 160.3 87.4 -46.7 23.6 122 122 A D > - 0 0 79 -2,-0.3 4,-2.3 -3,-0.1 5,-0.3 -0.322 44.8 -90.5 -86.1 173.0 90.6 -46.1 21.6 123 123 A R H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.885 122.4 40.4 -48.6 -50.8 90.9 -45.9 17.8 124 124 A N H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 114.1 49.3 -70.4 -44.0 91.5 -49.6 17.2 125 125 A M H > S+ 0 0 47 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.886 114.1 49.1 -63.1 -36.2 89.0 -51.1 19.6 126 126 A F H < S+ 0 0 5 -4,-2.3 4,-0.3 1,-0.2 3,-0.2 0.881 107.8 53.8 -68.0 -40.8 86.5 -48.7 18.2 127 127 A L H >X S+ 0 0 24 -4,-1.8 4,-2.5 -5,-0.3 3,-0.7 0.855 109.3 47.4 -64.8 -35.8 87.3 -49.7 14.7 128 128 A N H 3< S+ 0 0 31 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.705 108.4 56.8 -78.0 -18.8 86.8 -53.4 15.4 129 129 A S T 3< S+ 0 0 5 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.452 124.5 19.3 -89.8 -1.0 83.5 -52.6 17.1 130 130 A I T <4 S+ 0 0 4 -3,-0.7 158,-3.8 -4,-0.3 2,-0.5 0.561 112.8 64.5-140.2 -23.7 82.1 -50.9 14.0 131 131 A Y E < -i 288 0B 31 -4,-2.5 2,-0.8 -5,-0.2 -1,-0.2 -0.934 52.6-167.1-116.7 120.6 84.0 -51.9 10.9 132 132 A I E -i 289 0B 3 156,-3.4 158,-2.5 -2,-0.5 3,-0.1 -0.880 27.5-133.4-106.9 103.5 84.0 -55.5 9.5 133 133 A K > - 0 0 105 -2,-0.8 3,-1.6 156,-0.2 4,-0.3 0.059 31.8 -75.6 -53.7 158.1 86.8 -55.7 6.9 134 134 A Q T 3 S+ 0 0 93 1,-0.2 157,-0.2 2,-0.1 -1,-0.1 -0.242 113.0 5.4 -56.5 135.8 86.5 -57.3 3.5 135 135 A G T 3> S+ 0 0 10 156,-1.0 4,-3.5 155,-0.4 5,-0.3 0.377 85.8 127.4 72.1 -4.6 86.5 -61.1 3.4 136 136 A E H <> S+ 0 0 48 -3,-1.6 4,-3.3 1,-0.2 5,-0.2 0.954 76.0 45.4 -48.6 -57.8 86.4 -61.5 7.2 137 137 A I H > S+ 0 0 7 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.925 116.2 44.3 -53.4 -50.1 83.4 -63.8 7.1 138 138 A A H > S+ 0 0 16 156,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.917 115.5 48.8 -63.0 -41.9 84.7 -65.9 4.3 139 139 A K H >X S+ 0 0 138 -4,-3.5 4,-2.1 2,-0.2 3,-0.7 0.913 108.0 54.2 -64.8 -41.7 88.2 -66.1 5.8 140 140 A F H 3< S+ 0 0 27 -4,-3.3 3,-0.3 -5,-0.3 -1,-0.2 0.951 109.1 48.0 -56.9 -48.8 86.8 -67.1 9.2 141 141 A L H 3< S+ 0 0 17 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.694 110.5 54.5 -65.5 -17.3 85.0 -70.0 7.6 142 142 A S H << S+ 0 0 84 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.834 89.3 93.5 -84.6 -36.2 88.2 -70.9 5.8 143 143 A L S < S- 0 0 24 -4,-2.1 -3,-0.0 -3,-0.3 0, 0.0 -0.063 82.2-106.7 -56.1 158.3 90.4 -71.1 8.9 144 144 A K >> - 0 0 127 1,-0.1 3,-3.6 4,-0.0 4,-1.7 -0.647 39.1 -97.9 -88.0 144.0 91.0 -74.4 10.8 145 145 A P H 3> S+ 0 0 76 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.749 126.7 48.2 -26.6 -49.6 89.3 -74.9 14.2 146 146 A S H 3> S+ 0 0 66 1,-0.2 4,-0.8 2,-0.2 -3,-0.0 0.779 110.6 52.1 -69.6 -26.3 92.5 -73.9 16.0 147 147 A E H <> S+ 0 0 65 -3,-3.6 4,-2.4 2,-0.2 -1,-0.2 0.813 100.5 62.2 -77.4 -33.5 92.8 -70.8 13.8 148 148 A K H X S+ 0 0 9 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.949 104.4 46.8 -57.2 -48.9 89.3 -69.7 14.5 149 149 A L H X S+ 0 0 45 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.861 108.8 59.9 -61.6 -32.4 90.0 -69.3 18.2 150 150 A E H X S+ 0 0 112 -4,-0.8 4,-2.0 1,-0.2 -2,-0.2 0.960 104.2 46.2 -59.1 -54.6 93.2 -67.4 17.1 151 151 A T H X S+ 0 0 47 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.861 109.7 54.5 -59.9 -36.7 91.2 -64.7 15.2 152 152 A V H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.959 106.3 52.5 -61.8 -46.6 88.8 -64.3 18.1 153 153 A A H X>S+ 0 0 24 -4,-2.3 5,-1.8 1,-0.2 4,-0.7 0.892 110.4 49.6 -52.9 -43.5 91.8 -63.7 20.4 154 154 A K H ><5S+ 0 0 136 -4,-2.0 3,-1.5 2,-0.2 -1,-0.2 0.948 106.2 52.9 -60.7 -54.9 93.1 -61.0 18.0 155 155 A L H 3<5S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.855 109.7 50.3 -50.9 -38.7 89.8 -59.1 17.7 156 156 A L H 3<5S- 0 0 10 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.682 111.9-126.4 -74.9 -18.2 89.7 -58.9 21.5 157 157 A G T <<5 + 0 0 26 -3,-1.5 -3,-0.2 -4,-0.7 -2,-0.1 0.744 44.4 167.3 79.9 26.3 93.3 -57.6 21.5 158 158 A I < + 0 0 12 -5,-1.8 2,-2.0 1,-0.2 -4,-0.1 0.638 49.6 101.6 -47.3 -16.6 94.8 -60.1 23.9 159 159 A D + 0 0 126 -6,-0.2 2,-0.4 -5,-0.2 -1,-0.2 -0.502 51.2 143.5 -73.7 82.6 98.3 -58.9 22.8 160 160 A E + 0 0 91 -2,-2.0 2,-0.5 44,-0.1 47,-0.1 -0.975 27.1 176.6-130.7 121.3 98.9 -56.7 25.8 161 161 A F > - 0 0 113 -2,-0.4 3,-0.8 1,-0.1 2,-0.5 -0.829 11.1-167.5-125.5 92.4 102.3 -56.1 27.5 162 162 A E G > + 0 0 25 -2,-0.5 3,-1.8 1,-0.3 4,-0.1 0.166 56.7 116.8 -64.9 21.6 101.9 -53.6 30.3 163 163 A K G > + 0 0 98 -2,-0.5 3,-2.9 1,-0.3 4,-0.4 0.623 51.3 89.2 -65.2 -11.2 105.8 -53.4 30.4 164 164 A C G <> + 0 0 76 -3,-0.8 4,-2.5 1,-0.3 3,-0.4 0.826 68.5 75.3 -54.4 -31.4 105.1 -49.8 29.5 165 165 A Y H <> S+ 0 0 66 -3,-1.8 4,-3.1 1,-0.2 5,-0.4 0.695 79.2 75.9 -54.5 -18.0 105.0 -49.2 33.2 166 166 A Q H <> S+ 0 0 114 -3,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.995 107.0 28.0 -54.1 -70.1 108.8 -49.6 32.9 167 167 A K H > S+ 0 0 128 -3,-0.4 4,-3.0 -4,-0.4 5,-0.4 0.860 125.0 58.0 -58.0 -35.9 109.1 -46.1 31.4 168 168 A M H X S+ 0 0 76 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.991 108.2 36.5 -58.5 -75.0 106.0 -45.3 33.4 169 169 A G H < S+ 0 0 12 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.609 125.6 45.7 -58.4 -11.3 106.9 -46.0 37.0 170 170 A E H >X S+ 0 0 102 -4,-1.1 3,-2.9 -5,-0.4 4,-1.8 0.884 107.0 48.0 -99.4 -52.8 110.4 -44.8 36.3 171 171 A I H 3< S+ 0 0 110 -4,-3.0 4,-0.2 1,-0.3 -3,-0.2 0.816 119.1 46.4 -58.9 -26.1 110.1 -41.5 34.3 172 172 A V T 3< S+ 0 0 38 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.1 0.212 111.5 57.1 -97.9 13.6 107.6 -40.6 37.0 173 173 A K T X4 S+ 0 0 98 -3,-2.9 3,-2.7 -5,-0.1 -2,-0.2 0.825 96.1 52.7-104.0 -63.6 110.1 -41.8 39.7 174 174 A E G >X S+ 0 0 75 -4,-1.8 3,-2.9 1,-0.3 4,-0.7 0.680 86.8 89.1 -48.9 -20.3 113.3 -39.9 39.2 175 175 A Y G 34 S+ 0 0 138 -5,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.684 87.8 51.9 -54.0 -15.6 111.0 -36.9 39.5 176 176 A E G X4 S+ 0 0 41 -3,-2.7 3,-1.4 1,-0.2 4,-0.4 0.503 86.9 74.5-100.9 -7.6 111.8 -37.3 43.2 177 177 A K T <4 S+ 0 0 109 -3,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.635 100.3 51.2 -75.3 -13.1 115.6 -37.4 42.9 178 178 A R T 3< S+ 0 0 125 -4,-0.7 -1,-0.3 1,-0.1 -2,-0.2 0.186 105.6 55.5-103.3 9.7 115.0 -33.7 42.4 179 179 A L S < S+ 0 0 66 -3,-1.4 -2,-0.2 -5,-0.2 -1,-0.1 0.372 97.5 63.0-117.3 -6.6 112.8 -33.6 45.5 180 180 A E S S+ 0 0 149 -4,-0.4 2,-1.0 1,-0.2 -2,-0.1 0.348 76.4 90.9-101.3 3.3 115.6 -35.1 47.7 181 181 A R 0 0 165 1,-0.3 -1,-0.2 0, 0.0 -4,-0.0 -0.528 360.0 360.0 -98.6 65.5 118.0 -32.2 47.3 182 182 A I 0 0 207 -2,-1.0 -1,-0.3 -3,-0.1 0, 0.0 -0.026 360.0 360.0 38.9 360.0 116.8 -30.1 50.2 183 ! 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 0.0 184 840 A E > 0 0 209 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -67.2 103.8 -32.1 50.2 185 841 A K T > + 0 0 80 1,-0.3 3,-0.8 2,-0.1 4,-0.1 0.268 360.0 102.6 -69.2 14.5 105.2 -33.6 46.9 186 842 A E T >> + 0 0 95 1,-0.2 3,-2.6 2,-0.2 4,-1.6 0.760 61.1 73.5 -68.3 -27.8 104.6 -36.9 48.7 187 843 A K H <> S+ 0 0 119 -3,-1.3 4,-1.5 1,-0.3 -1,-0.2 0.843 83.9 68.2 -55.7 -33.5 101.5 -37.5 46.6 188 844 A L H <4 S+ 0 0 19 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.616 104.2 44.2 -61.8 -12.2 103.9 -38.3 43.7 189 845 A T H X> S+ 0 0 41 -3,-2.6 4,-1.8 2,-0.2 3,-1.0 0.812 101.0 65.9 -96.5 -45.3 104.9 -41.4 45.7 190 846 A K H 3X S+ 0 0 98 -4,-1.6 4,-1.3 1,-0.3 -2,-0.2 0.816 109.9 39.0 -46.8 -37.2 101.3 -42.4 46.7 191 847 A F H 3X S+ 0 0 94 -4,-1.5 4,-0.6 2,-0.2 -1,-0.3 0.656 104.9 64.0 -92.8 -13.8 100.6 -43.1 43.0 192 848 A V H <> S+ 0 0 14 -3,-1.0 4,-0.9 -5,-0.2 -2,-0.2 0.761 107.6 48.3 -74.9 -23.1 104.0 -44.6 42.1 193 849 A E H >X S+ 0 0 104 -4,-1.8 4,-3.3 2,-0.2 3,-0.7 0.931 105.2 53.1 -78.6 -50.4 102.9 -47.3 44.6 194 850 A Y H 3X S+ 0 0 163 -4,-1.3 4,-0.5 1,-0.3 -2,-0.2 0.700 107.2 58.3 -59.2 -15.4 99.4 -47.7 43.1 195 851 A L H 3X S+ 0 0 25 -4,-0.6 4,-2.6 2,-0.2 -1,-0.3 0.860 112.3 36.6 -80.0 -39.3 101.5 -48.2 39.9 196 852 A D H X S+ 0 0 36 -4,-0.5 3,-2.6 -5,-0.4 4,-0.8 0.941 116.8 43.2 -86.0 -61.1 98.9 -52.8 40.0 199 855 A R H 3X S+ 0 0 74 -4,-2.6 4,-1.2 1,-0.3 3,-0.3 0.751 110.4 64.5 -56.3 -21.1 101.8 -53.9 37.8 200 856 A R H 3< S+ 0 0 177 -4,-3.8 -1,-0.3 1,-0.2 -2,-0.2 0.522 100.2 48.1 -81.2 -8.7 102.5 -56.3 40.7 201 857 A I H <4 S+ 0 0 138 -3,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.539 112.0 46.3-108.8 -10.1 99.3 -58.3 40.3 202 858 A F H >X - 0 0 60 -4,-0.8 4,-1.2 -3,-0.3 3,-0.8 0.895 69.1-167.8 -96.2 -56.1 99.4 -58.9 36.6 203 859 A G T 3< - 0 0 39 -4,-1.2 -3,-0.1 1,-0.2 -4,-0.1 0.599 62.8 -81.8 75.3 10.9 102.9 -60.1 35.8 204 860 A R T 34 S+ 0 0 118 -5,-0.1 -1,-0.2 1,-0.1 -44,-0.1 0.296 131.0 61.3 78.4 -11.0 102.3 -59.7 32.0 205 861 A N T <> S+ 0 0 95 -3,-0.8 4,-0.6 2,-0.1 -2,-0.2 0.423 90.3 62.3-124.1 -5.2 100.6 -63.1 31.9 206 862 A G H X S+ 0 0 21 -4,-1.2 4,-1.2 2,-0.2 -3,-0.1 0.682 85.9 75.1 -93.2 -20.3 97.6 -62.6 34.1 207 863 A F H > S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.752 98.5 47.1 -62.4 -26.6 96.1 -59.8 31.9 208 864 A Q H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.906 104.6 57.1 -80.1 -47.2 95.0 -62.5 29.4 209 865 A A H < S+ 0 0 54 -4,-0.6 4,-0.2 1,-0.2 -2,-0.2 0.784 111.7 49.3 -53.2 -25.0 93.5 -64.8 32.1 210 866 A Y H >X S+ 0 0 118 -4,-1.2 3,-2.7 2,-0.2 4,-1.7 0.961 103.5 53.2 -78.2 -59.3 91.5 -61.7 32.9 211 867 A L H 3X S+ 0 0 10 -4,-1.8 4,-2.9 1,-0.3 5,-0.4 0.840 104.8 57.7 -46.5 -40.1 90.2 -60.7 29.4 212 868 A R H 3< S+ 0 0 59 -4,-2.1 4,-0.3 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