==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-APR-13 4K38 . COMPND 2 MOLECULE: ANAEROBIC SULFATASE-MATURATING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR P.J.GOLDMAN,C.L.DRENNAN . 754 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 2.9 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 60 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 4 3 2 1 0 4 2 0 2 1 5 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 2 6 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 PARALLEL BRIDGES PER LADDER . 5 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 2 A P 0 0 63 0, 0.0 2,-0.2 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 58.3 13.4 25.8 18.1 2 3 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 56,-0.2 0.607 360.0-164.6 -73.6 162.2 12.3 24.7 20.4 3 4 A L E -a 58 0A 20 54,-1.2 56,-2.3 -2,-0.2 2,-0.4 -0.941 12.9-170.7-118.6 138.2 14.7 26.6 22.6 4 5 A S E -a 59 0A 42 -2,-0.4 2,-0.4 54,-0.2 56,-0.2 -0.993 9.2-172.8-124.9 129.0 15.6 26.1 26.2 5 6 A L E -a 60 0A 1 54,-2.4 56,-2.2 -2,-0.4 2,-0.6 -0.935 19.7-149.6-120.2 152.3 17.8 28.5 28.2 6 7 A L E -ab 61 265A 1 258,-2.0 260,-2.7 257,-0.5 2,-0.4 -0.949 27.9-166.6-117.4 108.4 19.3 28.5 31.6 7 8 A I E -ab 62 266A 0 54,-3.7 56,-2.8 -2,-0.6 260,-0.2 -0.788 22.5-159.5-108.6 140.5 19.5 32.0 32.9 8 9 A K > + 0 0 8 258,-2.8 3,-1.7 -2,-0.4 260,-0.2 -0.793 16.2 175.4-113.5 83.7 21.4 33.5 35.8 9 10 A P T 3 S+ 0 0 0 0, 0.0 29,-2.9 0, 0.0 -1,-0.1 0.704 85.4 32.6 -74.4 -17.5 19.5 36.7 36.5 10 11 A A T > S- 0 0 6 53,-0.5 3,-1.9 1,-0.4 26,-0.3 0.059 106.2-139.8-114.3 22.0 21.5 37.6 39.6 11 12 A S T < - 0 0 0 -3,-1.7 54,-0.6 1,-0.3 -1,-0.4 -0.284 64.9 -27.8 55.3-136.5 24.6 35.9 38.1 12 13 A S T 3 S+ 0 0 1 21,-0.3 13,-0.3 52,-0.2 -1,-0.3 0.342 102.7 128.3 -91.9 6.3 26.6 33.9 40.8 13 14 A G < + 0 0 20 -3,-1.9 53,-2.9 23,-0.2 52,-0.5 -0.356 31.8 163.6 -64.6 139.1 25.3 36.2 43.6 14 15 A C - 0 0 29 51,-0.2 -2,-0.0 11,-0.1 11,-0.0 -0.993 44.2-139.6-155.1 156.0 23.8 34.4 46.5 15 16 A N S S+ 0 0 43 -2,-0.3 121,-0.8 120,-0.0 2,-0.1 0.555 83.7 63.0 -94.0 -12.9 22.8 34.8 50.1 16 17 A L B -J 135 0B 7 119,-0.2 119,-0.3 120,-0.1 -2,-0.1 -0.439 65.3-144.4-101.9-177.4 24.0 31.4 51.4 17 18 A K - 0 0 65 117,-3.1 117,-0.2 -2,-0.1 118,-0.1 -0.367 20.1-173.1-144.6 57.4 27.4 29.7 51.7 18 19 A C > - 0 0 12 115,-0.1 3,-1.6 1,-0.1 115,-0.2 -0.308 27.0-130.2 -57.9 129.1 26.8 26.1 51.0 19 20 A T T 3 S+ 0 0 47 113,-2.2 -1,-0.1 1,-0.3 114,-0.1 0.820 102.5 39.7 -56.5 -36.6 30.1 24.2 51.7 20 21 A Y T 3 S+ 0 0 0 112,-0.1 2,-0.4 186,-0.0 -1,-0.3 0.448 86.9 119.0 -94.3 -2.6 30.1 22.3 48.4 21 22 A C < + 0 0 11 -3,-1.6 3,-0.2 1,-0.1 5,-0.1 -0.527 29.5 170.9 -77.5 122.8 28.9 25.1 46.1 22 23 A F + 0 0 37 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.037 70.0 77.0-108.6 20.6 31.2 26.2 43.4 23 24 A Y S S+ 0 0 7 1,-0.2 2,-0.4 9,-0.1 -1,-0.1 0.418 96.3 45.2-103.6 -5.9 28.5 28.4 41.7 24 25 A H S S- 0 0 28 -3,-0.2 2,-0.4 -6,-0.1 -1,-0.2 -0.998 94.5 -99.8-139.2 141.1 28.8 31.2 44.3 25 26 A S + 0 0 34 -2,-0.4 6,-0.2 -13,-0.3 -11,-0.1 -0.473 41.7 171.6 -56.5 117.5 31.8 33.0 45.9 26 27 A L - 0 0 23 4,-2.2 2,-0.2 -2,-0.4 -1,-0.2 0.773 56.9 -33.0 -98.8 -37.6 32.2 31.4 49.3 27 28 A S B > S-K 30 0C 55 3,-0.9 3,-0.7 1,-0.0 -1,-0.3 -0.923 78.2 -64.5-165.9-173.3 35.5 32.9 50.5 28 29 A D T 3 S+ 0 0 170 -2,-0.2 3,-0.3 1,-0.2 -1,-0.0 0.828 130.8 45.9 -63.6 -29.5 38.9 34.2 49.5 29 30 A N T 3 S+ 0 0 151 1,-0.2 2,-0.3 -4,-0.0 -1,-0.2 0.604 114.3 46.3 -89.8 -10.6 40.0 30.8 48.3 30 31 A R B < S+K 27 0C 36 -3,-0.7 -4,-2.2 2,-0.0 -3,-0.9 -0.695 74.9 166.4-130.7 81.8 36.7 29.9 46.3 31 32 A N - 0 0 126 -3,-0.3 2,-0.4 -2,-0.3 -6,-0.1 -0.759 16.1-169.7-100.8 140.6 35.8 32.9 44.2 32 33 A V - 0 0 34 -2,-0.4 -7,-0.3 -20,-0.1 2,-0.1 -0.985 30.6-110.4-128.8 135.7 33.3 33.0 41.3 33 34 A K - 0 0 131 -2,-0.4 2,-0.4 -9,-0.1 -21,-0.3 -0.433 32.4-160.3 -65.5 133.7 32.9 35.9 38.9 34 35 A S - 0 0 54 -2,-0.1 -23,-0.1 -23,-0.1 3,-0.1 -0.976 19.8-171.2-117.4 135.2 29.6 37.8 39.3 35 36 A Y - 0 0 72 -2,-0.4 -24,-0.1 1,-0.3 -1,-0.1 0.321 43.0-130.4 -98.1 7.9 28.1 40.1 36.7 36 37 A G - 0 0 31 -26,-0.3 2,-0.4 2,-0.1 -1,-0.3 -0.354 54.9 -16.3 76.6-160.3 25.5 41.5 39.0 37 38 A I S S- 0 0 94 -27,-0.1 -27,-0.2 1,-0.1 2,-0.1 -0.641 77.6-102.4 -85.7 134.7 21.8 41.7 38.3 38 39 A M - 0 0 3 -29,-2.9 231,-0.1 -2,-0.4 -1,-0.1 -0.345 39.7-125.8 -55.7 121.7 20.7 41.4 34.6 39 40 A R >> - 0 0 126 229,-0.5 4,-2.2 -2,-0.1 3,-0.8 -0.353 20.1-111.7 -66.5 152.3 19.9 44.9 33.2 40 41 A D H 3> S+ 0 0 91 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.863 116.2 55.9 -53.2 -41.6 16.4 45.5 31.6 41 42 A E H 3> S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.854 108.6 46.8 -67.5 -31.0 17.9 45.9 28.2 42 43 A V H <> S+ 0 0 0 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.923 113.2 48.4 -71.3 -44.9 19.6 42.5 28.4 43 44 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.903 113.6 48.2 -61.6 -40.3 16.5 40.8 29.6 44 45 A E H X S+ 0 0 49 -4,-2.8 4,-2.3 -5,-0.2 5,-0.3 0.936 112.4 47.5 -67.3 -45.7 14.5 42.5 26.9 45 46 A S H X S+ 0 0 33 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.918 114.3 48.3 -61.4 -41.1 17.0 41.5 24.2 46 47 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.935 112.8 45.9 -62.6 -52.2 17.1 37.9 25.5 47 48 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.935 114.4 46.9 -61.8 -48.3 13.3 37.4 25.7 48 49 A K H X S+ 0 0 73 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.908 111.0 52.7 -61.3 -40.9 12.6 38.9 22.3 49 50 A R H X S+ 0 0 45 -4,-2.0 4,-2.1 -5,-0.3 5,-0.2 0.941 111.2 45.9 -62.1 -44.4 15.3 36.9 20.6 50 51 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.933 114.8 47.2 -63.0 -45.3 14.0 33.6 22.0 51 52 A L H < S+ 0 0 1 -4,-2.5 37,-0.3 1,-0.2 -1,-0.2 0.872 115.9 45.9 -67.1 -32.0 10.4 34.4 21.0 52 53 A N H < S+ 0 0 85 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.820 122.7 33.3 -75.4 -32.6 11.5 35.5 17.5 53 54 A E H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.715 95.6 90.8-103.8 -24.7 13.8 32.5 16.9 54 55 A A < - 0 0 0 -4,-2.6 2,-0.3 -5,-0.2 4,-0.1 -0.401 53.7-162.2 -73.6 152.9 12.2 29.5 18.7 55 56 A N + 0 0 50 2,-0.3 2,-2.1 448,-0.1 448,-0.3 -0.934 69.6 9.9-129.2 150.2 9.7 27.2 16.9 56 57 A G S S- 0 0 17 446,-2.6 35,-1.0 -2,-0.3 2,-0.3 -0.480 126.3 -32.0 81.1 -75.2 7.3 24.9 18.6 57 58 A H E - c 0 91A 72 -2,-2.1 -54,-1.2 33,-0.2 -2,-0.3 -0.965 55.0-139.9-162.9 175.3 7.9 26.1 22.1 58 59 A C E -ac 3 92A 0 33,-2.1 35,-2.5 -2,-0.3 2,-0.4 -0.977 5.7-150.2-146.5 161.9 10.5 27.6 24.4 59 60 A S E -ac 4 93A 26 -56,-2.3 -54,-2.4 -2,-0.3 2,-0.5 -0.996 2.3-164.7-138.4 134.1 11.7 27.4 28.0 60 61 A F E -ac 5 94A 0 33,-3.0 35,-2.1 -2,-0.4 2,-0.4 -0.983 11.6-174.4-119.9 117.4 13.2 29.9 30.4 61 62 A A E -ac 6 95A 9 -56,-2.2 -54,-3.7 -2,-0.5 2,-0.6 -0.941 10.7-152.2-112.4 133.2 14.9 28.4 33.5 62 63 A F E +ac 7 96A 2 33,-2.2 35,-2.9 -2,-0.4 -54,-0.2 -0.917 34.9 131.0-114.6 123.8 16.2 30.7 36.2 63 64 A Q + 0 0 2 -56,-2.8 -53,-0.5 -2,-0.6 2,-0.3 -0.352 15.7 106.9-141.4-144.5 19.1 29.6 38.4 64 65 A G S S- 0 0 0 -56,-0.1 -52,-0.2 -2,-0.1 2,-0.2 -0.977 89.1 -15.8 153.2-141.9 22.5 31.0 39.6 65 66 A G S S- 0 0 2 -54,-0.6 -51,-0.2 -52,-0.5 -53,-0.1 0.728 128.3 -37.7 66.4 168.4 23.5 32.0 42.1 66 67 A E > - 0 0 0 -53,-2.9 3,-1.7 -56,-0.2 4,-0.2 -0.902 59.1-161.0-100.5 108.3 20.2 32.6 43.9 67 68 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.787 83.6 69.2 -68.8 -23.2 17.8 33.9 41.3 68 69 A T G > S+ 0 0 7 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.721 82.9 77.3 -64.8 -14.8 15.3 35.4 43.7 69 70 A L G < S+ 0 0 64 -3,-1.7 -1,-0.3 1,-0.3 -32,-0.1 0.721 79.8 68.4 -65.4 -18.3 18.0 38.0 44.4 70 71 A A G < S- 0 0 10 -3,-2.0 4,-0.3 -4,-0.2 -1,-0.3 0.731 111.6-123.8 -70.1 -20.6 17.0 39.6 41.1 71 72 A G X> - 0 0 11 -3,-1.6 4,-1.1 -4,-0.3 3,-0.7 0.146 16.2 -84.6 92.5 154.3 13.8 40.6 42.9 72 73 A L H 3> S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.833 123.2 62.1 -64.2 -32.4 10.1 40.0 42.2 73 74 A E H 3> S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 97.0 57.5 -62.5 -38.3 9.9 42.9 39.9 74 75 A F H <> S+ 0 0 11 -3,-0.7 4,-2.0 -4,-0.3 -1,-0.2 0.910 110.4 44.5 -56.4 -43.2 12.5 41.4 37.5 75 76 A F H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.842 109.0 56.2 -75.8 -31.8 10.2 38.4 37.1 76 77 A E H X S+ 0 0 94 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.923 109.5 47.4 -56.7 -43.0 7.1 40.7 36.8 77 78 A K H X S+ 0 0 41 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.896 106.9 56.8 -69.0 -42.2 9.0 42.3 33.9 78 79 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.918 108.6 46.7 -51.5 -48.5 9.8 38.9 32.4 79 80 A M H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.876 109.6 53.4 -67.4 -35.1 6.2 38.0 32.3 80 81 A E H X S+ 0 0 71 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.929 109.5 49.0 -67.7 -42.6 5.2 41.3 30.8 81 82 A L H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.901 110.1 51.3 -61.2 -42.5 7.8 40.8 28.0 82 83 A Q H X S+ 0 0 9 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.902 111.4 47.9 -64.4 -38.9 6.5 37.3 27.3 83 84 A R H < S+ 0 0 172 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.919 118.1 39.5 -64.4 -44.8 2.9 38.5 27.0 84 85 A K H < S+ 0 0 129 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.774 121.6 36.8 -78.3 -28.0 3.8 41.4 24.7 85 86 A H H < S+ 0 0 31 -4,-2.1 2,-1.7 -5,-0.2 3,-0.2 0.262 74.6 107.4-121.5 12.2 6.3 39.9 22.4 86 87 A N >< + 0 0 27 -4,-0.7 3,-1.6 -3,-0.3 -1,-0.1 -0.551 38.0 163.2 -89.1 71.5 5.3 36.3 21.8 87 88 A Y T 3 S+ 0 0 156 -2,-1.7 -1,-0.2 1,-0.3 -35,-0.1 0.732 70.4 52.9 -69.8 -22.5 4.2 37.1 18.2 88 89 A K T 3 S- 0 0 48 -37,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.450 106.4-124.8 -89.3 -3.7 4.3 33.4 17.2 89 90 A N < + 0 0 131 -3,-1.6 2,-0.1 1,-0.2 -2,-0.1 0.918 45.8 178.0 58.2 44.9 2.0 32.3 20.1 90 91 A L - 0 0 8 -39,-0.1 2,-0.3 1,-0.1 -33,-0.2 -0.448 36.5-106.8 -69.6 150.6 4.6 29.8 21.2 91 92 A K E -c 57 0A 116 -35,-1.0 -33,-2.1 -2,-0.1 2,-0.5 -0.658 40.5-154.6 -69.7 134.4 4.0 27.7 24.3 92 93 A I E -c 58 0A 37 -2,-0.3 2,-0.5 -35,-0.2 -33,-0.2 -0.964 10.9-164.2-121.5 129.0 6.3 29.1 27.0 93 94 A Y E -c 59 0A 109 -35,-2.5 -33,-3.0 -2,-0.5 2,-0.4 -0.922 7.5-169.7-109.0 132.8 7.6 27.2 30.0 94 95 A N E +c 60 0A 14 -2,-0.5 23,-2.2 21,-0.4 2,-0.3 -0.948 7.7 174.2-119.3 146.0 9.1 29.0 33.0 95 96 A S E -cd 61 117A 10 -35,-2.1 -33,-2.2 -2,-0.4 2,-0.4 -0.975 12.8-160.6-147.8 158.8 11.0 27.5 35.8 96 97 A L E -cd 62 118A 0 21,-2.1 23,-2.9 -2,-0.3 2,-0.6 -0.998 6.8-156.2-143.3 131.8 13.0 28.7 38.9 97 98 A Q E + d 0 119A 1 -35,-2.9 2,-0.3 -2,-0.4 23,-0.2 -0.959 30.0 173.2-111.3 122.9 15.5 26.9 41.0 98 99 A T E - d 0 120A 0 21,-3.0 23,-2.2 -2,-0.6 -32,-0.1 -0.908 49.4-139.5-135.7 151.1 15.8 28.4 44.5 99 100 A N - 0 0 0 -2,-0.3 49,-0.1 21,-0.2 21,-0.1 0.587 46.5-140.2 -78.4 -11.0 17.3 28.1 47.9 100 101 A G > + 0 0 0 1,-0.1 3,-1.2 48,-0.1 48,-0.1 0.296 68.2 117.4 76.3 -8.5 13.8 29.1 49.1 101 102 A T T 3 S+ 0 0 6 1,-0.3 -1,-0.1 46,-0.1 44,-0.0 0.724 79.8 40.8 -69.4 -19.3 15.2 31.4 52.0 102 103 A L T 3 S+ 0 0 70 2,-0.1 2,-0.3 43,-0.0 -1,-0.3 0.338 85.5 122.6-108.6 1.8 13.7 34.6 50.6 103 104 A I < + 0 0 3 -3,-1.2 2,-0.2 41,-0.1 48,-0.1 -0.505 33.4 161.5 -70.0 129.8 10.4 33.1 49.5 104 105 A D > - 0 0 78 -2,-0.3 4,-2.5 47,-0.0 5,-0.2 -0.690 57.0 -73.0-132.7-171.4 7.3 34.8 51.0 105 106 A E H > S+ 0 0 74 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.869 129.2 51.1 -54.9 -42.6 3.6 35.1 50.3 106 107 A S H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 110.7 47.5 -62.0 -46.8 4.2 37.3 47.3 107 108 A W H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.935 112.7 48.7 -62.3 -46.7 6.7 35.0 45.7 108 109 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 112.1 48.6 -62.5 -44.8 4.5 31.9 46.2 109 110 A K H X S+ 0 0 95 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.937 113.0 48.0 -56.7 -52.2 1.5 33.7 44.7 110 111 A F H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.900 112.8 47.0 -57.0 -48.0 3.4 34.9 41.7 111 112 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 -1,-0.2 0.868 115.7 47.0 -66.2 -36.1 5.0 31.5 41.0 112 113 A S H ><5S+ 0 0 39 -4,-2.2 3,-1.3 -5,-0.3 -2,-0.2 0.957 113.2 46.3 -67.8 -52.6 1.7 29.8 41.3 113 114 A E H 3<5S+ 0 0 125 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.809 116.1 46.1 -62.3 -31.4 -0.3 32.3 39.2 114 115 A N T 3<5S- 0 0 40 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.328 109.2-122.5 -97.3 7.7 2.4 32.2 36.4 115 116 A K T < 5 + 0 0 184 -3,-1.3 -21,-0.4 1,-0.2 2,-0.2 0.838 44.9 173.5 58.5 40.5 2.7 28.5 36.4 116 117 A F < - 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0 0 108 1,-0.1 -4,-2.4 -5,-0.0 -1,-0.2 -0.259 59.0 -78.7 -91.5 178.3 24.1 29.7 60.6 140 141 A D B +L 134 0D 82 -6,-0.2 -1,-0.1 1,-0.1 -6,-0.1 -0.319 33.2 177.4 -81.0 154.4 21.3 27.3 59.8 141 142 A T >> + 0 0 1 -8,-0.5 4,-1.7 -15,-0.2 3,-1.0 0.550 53.9 97.3-126.1 -17.9 18.9 27.5 56.9 142 143 A F H 3> S+ 0 0 14 1,-0.3 4,-2.9 -9,-0.2 5,-0.2 0.845 83.7 52.7 -50.3 -45.9 16.6 24.4 57.0 143 144 A S H 3> S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.860 109.1 50.5 -60.2 -35.5 13.7 26.1 58.8 144 145 A K H <> S+ 0 0 76 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.856 110.9 48.8 -70.6 -33.2 13.6 28.8 56.2 145 146 A V H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.900 108.8 52.7 -72.0 -41.4 13.6 26.2 53.4 146 147 A E H X S+ 0 0 56 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.893 106.1 55.7 -55.9 -40.4 10.8 24.3 55.2 147 148 A R H X S+ 0 0 107 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.896 105.6 50.9 -59.5 -43.0 8.9 27.7 55.2 148 149 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.932 110.2 48.6 -60.7 -46.4 9.3 27.9 51.5 149 150 A A H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.923 110.3 52.4 -61.0 -41.8 7.9 24.4 51.0 150 151 A E H X S+ 0 0 138 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.920 111.1 46.7 -57.9 -46.6 5.0 25.3 53.3 151 152 A L H X S+ 0 0 20 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.863 111.2 52.1 -64.2 -38.1 4.2 28.4 51.2 152 153 A F H X>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 4,-0.5 0.927 111.3 46.1 -64.9 -43.7 4.5 26.4 48.0 153 154 A K H ><5S+ 0 0 90 -4,-2.8 3,-0.9 3,-0.2 -2,-0.2 0.939 113.6 50.7 -63.0 -43.1 2.0 23.8 49.3 154 155 A K H 3<5S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.925 117.7 36.6 -61.7 -46.4 -0.3 26.6 50.5 155 156 A Y H 3<5S- 0 0 61 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.316 111.4-117.8 -90.6 8.0 -0.3 28.4 47.2 156 157 A K T <<5 + 0 0 151 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.799 49.6 170.1 59.9 36.0 -0.3 25.2 45.1 157 158 A V < - 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0 0 20 46,-0.5 2,-0.3 -2,-0.3 15,-0.1 -0.297 25.0-160.1 -83.4 162.7 26.5 16.7 25.6 261 262 A T - 0 0 48 13,-0.1 2,-0.7 -2,-0.1 3,-0.0 -0.829 31.9 -99.4-130.2 170.8 24.0 19.4 24.5 262 263 A C - 0 0 16 -2,-0.3 13,-0.2 1,-0.1 35,-0.0 -0.883 32.7-175.0 -93.2 116.1 24.1 23.1 24.3 263 264 A Q - 0 0 14 11,-3.3 -257,-0.5 -2,-0.7 12,-0.1 0.497 32.6-131.5 -87.9 -5.0 22.1 24.3 27.4 264 265 A F - 0 0 16 -259,-0.2 -258,-2.0 1,-0.2 2,-0.5 0.966 27.5-165.0 48.2 64.6 22.3 28.0 26.4 265 266 A V E -bH 6 273A 0 8,-3.0 8,-2.2 -260,-0.2 2,-0.6 -0.695 2.2-160.2 -77.2 124.7 23.4 29.2 29.8 266 267 A V E -bH 7 272A 0 -260,-2.7 -258,-2.8 -2,-0.5 6,-0.2 -0.936 1.7-154.3-115.1 115.4 23.0 33.0 29.9 267 268 A E > - 0 0 3 4,-2.9 3,-2.2 -2,-0.6 -233,-0.0 -0.329 38.1 -96.3 -77.3 170.2 24.9 35.0 32.5 268 269 A S T 3 S+ 0 0 4 1,-0.3 -229,-0.5 -260,-0.2 -226,-0.1 0.729 124.0 56.6 -70.7 -17.0 23.5 38.3 33.6 269 270 A D T 3 S- 0 0 38 -231,-0.1 -1,-0.3 2,-0.1 -232,-0.0 0.482 123.4-103.2 -85.0 -0.4 25.7 40.3 31.2 270 271 A G S < S+ 0 0 0 -3,-2.2 18,-2.7 1,-0.3 -2,-0.1 0.327 73.5 146.0 94.9 -3.8 24.2 38.3 28.3 271 272 A S E - 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0 0 93 -3,-0.9 2,-0.5 -4,-0.4 -3,-0.0 -0.450 60.2-151.7 -63.2 127.9 34.5 9.9 22.7 312 313 A V - 0 0 51 -2,-0.2 31,-0.1 31,-0.0 15,-0.1 -0.899 15.4-124.5-103.2 123.6 33.5 6.5 24.1 313 314 A H > - 0 0 48 -2,-0.5 4,-1.5 29,-0.1 3,-0.3 -0.368 20.6-118.8 -65.1 149.7 35.9 4.9 26.7 314 315 A E H > S+ 0 0 115 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.847 114.1 55.6 -59.6 -41.5 37.2 1.4 25.9 315 316 A E H >4 S+ 0 0 69 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.901 105.8 53.1 -53.7 -46.0 35.6 -0.1 29.0 316 317 A C H >4 S+ 0 0 16 -3,-0.3 3,-1.1 1,-0.2 -2,-0.2 0.879 99.7 62.5 -61.1 -37.3 32.2 1.3 27.9 317 318 A K H 3< S+ 0 0 130 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 114.1 32.8 -59.5 -31.6 32.6 -0.4 24.5 318 319 A K T << S+ 0 0 143 -4,-1.0 2,-0.3 -3,-0.6 -1,-0.3 0.314 94.0 118.4-107.0 6.6 32.6 -3.9 26.1 319 320 A C X - 0 0 31 -3,-1.1 3,-1.7 -4,-0.4 4,-0.2 -0.598 59.0-145.4 -83.7 132.6 30.2 -3.0 29.0 320 321 A K T 3 S+ 0 0 145 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.758 101.6 52.3 -64.0 -23.6 26.9 -4.9 29.3 321 322 A W T >> S+ 0 0 19 1,-0.2 4,-2.9 2,-0.1 3,-1.8 0.394 75.8 108.2 -93.7 2.3 25.3 -1.8 30.6 322 323 A F H <> S+ 0 0 71 -3,-1.7 4,-1.9 1,-0.3 -1,-0.2 0.860 77.3 50.7 -51.2 -44.0 26.4 0.5 27.8 323 324 A R H 34 S+ 0 0 131 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.644 118.5 40.3 -75.7 -7.0 23.0 0.9 26.2 324 325 A L H <4 S+ 0 0 15 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.2 0.811 129.7 25.1 -99.7 -41.0 21.6 1.8 29.6 325 326 A C H >< S- 0 0 25 -4,-2.9 3,-1.6 -9,-0.1 -67,-0.2 0.847 75.3-164.5 -95.4 -42.8 24.3 4.0 31.0 326 327 A K T 3< S- 0 0 26 -4,-1.9 -4,-0.1 -5,-0.4 -3,-0.1 0.545 70.7 -63.2 65.8 11.1 26.0 5.4 27.9 327 328 A G T 3 S- 0 0 6 -15,-0.1 -1,-0.3 -71,-0.1 17,-0.2 0.320 80.9-118.7 98.3 -7.3 29.1 6.5 29.8 328 329 A G < - 0 0 8 -3,-1.6 2,-0.2 -72,-0.1 -73,-0.1 -0.135 60.7 -10.6 74.4-165.3 27.2 9.0 31.9 329 330 A C > - 0 0 17 1,-0.1 3,-1.7 -75,-0.1 4,-0.2 -0.496 55.3-135.3 -76.5 132.1 27.6 12.8 32.2 330 331 A R G >> S+ 0 0 13 1,-0.3 3,-1.9 -2,-0.2 4,-0.6 0.797 103.1 66.6 -52.7 -33.9 30.7 14.3 30.6 331 332 A R G 34 S+ 0 0 19 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.792 99.2 51.8 -61.0 -28.0 31.3 16.4 33.7 332 333 A C G <4 S+ 0 0 9 -3,-1.7 13,-2.9 1,-0.2 -1,-0.3 0.363 110.2 49.3 -90.3 5.1 32.1 13.2 35.6 333 334 A R T <4 S+ 0 0 9 -3,-1.9 9,-3.0 11,-0.2 2,-1.1 0.389 86.3 96.9-113.1 -3.5 34.6 12.2 32.9 334 335 A D < + 0 0 11 -4,-0.6 -136,-0.5 -3,-0.3 7,-0.1 -0.707 38.6 155.4-100.7 92.3 36.5 15.5 32.8 335 336 A S + 0 0 38 -2,-1.1 2,-0.3 5,-0.3 -1,-0.2 0.811 61.6 17.0 -91.6 -32.1 39.5 15.0 35.1 336 337 A K S > S- 0 0 45 4,-0.2 3,-1.4 3,-0.1 -1,-0.2 -0.996 87.0 -91.6-145.8 143.5 42.1 17.6 33.7 337 338 A E T 3 S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.255 104.2 0.8 -57.1 141.2 41.9 20.6 31.5 338 339 A D T 3 S+ 0 0 131 1,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.477 103.9 119.6 60.5 2.5 42.4 20.1 27.8 339 340 A S S < S- 0 0 68 -3,-1.4 -1,-0.2 1,-0.1 -3,-0.1 -0.555 74.7 -91.9 -88.4 161.2 42.9 16.4 28.3 340 341 A A - 0 0 67 -2,-0.2 -5,-0.3 1,-0.1 -4,-0.2 -0.365 52.1 -95.5 -65.2 151.1 40.7 13.7 26.7 341 342 A L - 0 0 8 -33,-0.3 -7,-0.2 -7,-0.1 2,-0.2 -0.346 44.4-153.7 -61.5 150.1 37.7 12.6 28.8 342 343 A E - 0 0 70 -9,-3.0 -29,-0.1 -12,-0.2 3,-0.1 -0.533 35.2 -52.7-116.3-171.8 38.3 9.6 30.8 343 344 A L S S- 0 0 47 -2,-0.2 -1,-0.2 1,-0.1 4,-0.0 -0.362 73.9 -88.6 -59.2 139.1 36.2 6.8 32.3 344 345 A N > - 0 0 8 -17,-0.2 3,-2.1 1,-0.2 4,-0.3 -0.218 29.5-131.0 -49.4 131.7 33.2 8.1 34.4 345 346 A Y T 3 S+ 0 0 55 -13,-2.9 3,-0.3 1,-0.3 4,-0.2 0.821 109.4 45.8 -53.5 -30.9 34.2 8.7 38.0 346 347 A Y T 3> S+ 0 0 4 1,-0.2 4,-2.5 -14,-0.2 -1,-0.3 0.194 75.4 115.9-101.7 16.1 31.1 6.8 39.0 347 348 A C H <> S+ 0 0 20 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.901 78.7 48.1 -52.2 -46.1 31.5 3.9 36.6 348 349 A Q H > S+ 0 0 103 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.892 110.2 52.8 -66.3 -36.1 31.9 1.4 39.4 349 350 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 109.9 48.0 -64.9 -43.4 28.9 2.8 41.2 350 351 A Y H X S+ 0 0 21 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.923 111.9 49.0 -62.0 -48.1 26.7 2.4 38.1 351 352 A K H X S+ 0 0 55 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.949 115.2 43.2 -57.4 -51.7 27.8 -1.2 37.4 352 353 A E H X S+ 0 0 78 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.888 115.0 50.5 -64.8 -40.3 27.2 -2.3 41.0 353 354 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.920 110.0 49.7 -60.9 -45.3 23.9 -0.4 41.1 354 355 A F H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.915 108.1 52.9 -62.3 -43.2 22.7 -2.0 37.8 355 356 A E H < S+ 0 0 110 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.876 116.5 41.2 -57.3 -35.5 23.6 -5.5 39.0 356 357 A Y H < S+ 0 0 93 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.834 128.9 24.5 -79.5 -35.3 21.5 -4.8 42.1 357 358 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.1 3,-0.4 0.646 91.4 89.6-111.8 -23.5 18.5 -2.9 40.6 358 359 A F H X S+ 0 0 71 -4,-2.6 4,-2.4 -5,-0.3 5,-0.3 0.890 87.8 54.4 -50.2 -47.9 18.1 -3.9 36.9 359 360 A P H > S+ 0 0 89 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.914 115.7 39.7 -56.0 -41.1 15.8 -6.9 37.6 360 361 A R H > S+ 0 0 58 -3,-0.4 4,-2.2 -4,-0.2 -2,-0.2 0.829 110.3 59.0 -76.6 -29.7 13.4 -4.7 39.6 361 362 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.879 105.6 49.6 -63.8 -37.8 13.8 -1.8 37.2 362 363 A I H X S+ 0 0 48 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.904 106.8 55.7 -66.5 -42.8 12.5 -4.0 34.4 363 364 A N H X S+ 0 0 60 -4,-1.4 4,-1.4 -5,-0.3 -2,-0.2 0.923 109.6 45.8 -55.5 -46.3 9.6 -5.0 36.6 364 365 A V H X S+ 0 0 4 -4,-2.2 4,-1.7 2,-0.2 3,-0.4 0.941 111.5 52.1 -60.9 -47.4 8.6 -1.4 37.0 365 366 A A H < S+ 0 0 1 -4,-2.2 4,-0.2 1,-0.3 -2,-0.2 0.880 107.9 52.0 -58.3 -40.4 9.1 -0.7 33.2 366 367 A N H < S+ 0 0 111 -4,-2.7 3,-0.5 1,-0.2 -1,-0.3 0.845 110.3 49.6 -63.1 -34.4 6.8 -3.6 32.4 367 368 A N H < S+ 0 0 102 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.732 110.7 46.1 -81.5 -23.6 4.1 -2.2 34.7 368 369 A I < 0 0 81 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.308 360.0 360.0 -99.3 7.6 4.1 1.3 33.4 369 370 A K 0 0 101 -3,-0.5 -1,-0.1 -4,-0.2 -4,-0.1 -0.568 360.0 360.0 96.8 360.0 4.1 -0.3 29.9 370 !* 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 0.0 371 2 B P 0 0 90 0, 0.0 49,-2.0 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 -99.2 -12.5 17.6 -26.5 372 3 B P - 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