==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 30-OCT-09 3KH5 . COMPND 2 MOLECULE: PROTEIN MJ1225; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR I.GOMEZ GARCIA,I.OYENARTE,L.A.MARTINEZ-CRUZ . 278 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.5 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 4 1 0 1 3 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 9 0 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 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 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 3 A V 0 0 128 0, 0.0 100,-2.7 0, 0.0 101,-0.2 0.000 360.0 360.0 360.0 94.8 8.9 22.7 50.7 2 4 A R B > -A 100 0A 113 98,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.314 360.0-141.0 -67.3 132.8 10.4 19.3 49.9 3 5 A V G >> S+ 0 0 0 96,-2.6 4,-2.7 1,-0.3 3,-1.6 0.828 102.1 69.0 -57.2 -34.3 10.4 18.2 46.2 4 6 A M G 34 S+ 0 0 68 95,-0.5 -1,-0.3 93,-0.3 96,-0.1 0.764 88.5 65.7 -55.3 -27.3 9.6 14.7 47.5 5 7 A K G <4 S+ 0 0 159 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.788 114.0 29.3 -65.9 -30.0 6.2 16.1 48.5 6 8 A I T <4 S+ 0 0 42 -3,-1.6 -2,-0.2 -4,-0.4 3,-0.2 0.743 91.5 124.3 -92.6 -32.7 5.3 16.7 44.9 7 9 A A S < S- 0 0 10 -4,-2.7 122,-0.1 1,-0.2 2,-0.1 0.020 78.2-100.6 -44.5 123.1 7.4 13.8 43.5 8 10 A Q - 0 0 49 120,-0.7 120,-0.2 1,-0.2 -1,-0.2 -0.254 28.3-144.4 -51.6 116.7 5.2 11.5 41.5 9 11 A N + 0 0 163 -3,-0.2 -1,-0.2 -4,-0.1 3,-0.1 0.444 66.3 106.2 -71.4 -4.2 4.5 8.7 43.8 10 12 A K S S- 0 0 78 1,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.179 84.6 -89.5 -67.2 165.4 4.6 6.2 40.9 11 13 A K - 0 0 164 1,-0.1 2,-0.5 116,-0.1 -1,-0.1 -0.576 46.0-117.2 -68.3 139.6 7.4 3.7 40.3 12 14 A I - 0 0 33 -2,-0.2 2,-0.4 114,-0.1 -1,-0.1 -0.735 21.0-129.0 -87.4 126.9 10.0 5.3 38.0 13 15 A V + 0 0 26 -2,-0.5 2,-0.3 22,-0.1 22,-0.1 -0.635 42.0 168.7 -73.2 122.9 10.4 3.5 34.7 14 16 A T - 0 0 35 -2,-0.4 2,-0.3 22,-0.2 24,-0.2 -0.827 26.9-150.7-130.9 166.2 14.1 2.7 34.2 15 17 A V B -b 38 0B 3 22,-2.0 24,-2.5 -2,-0.3 35,-0.0 -0.830 22.3-118.6-125.7 174.1 16.6 0.8 32.0 16 18 A Y > - 0 0 98 -2,-0.3 3,-1.4 22,-0.2 68,-0.3 -0.722 28.5-108.0-109.0 162.0 20.0 -0.8 32.8 17 19 A P T 3 S+ 0 0 23 0, 0.0 68,-2.0 0, 0.0 69,-0.2 0.817 121.9 48.0 -58.6 -29.9 23.4 0.0 31.2 18 20 A T T 3 S+ 0 0 101 65,-0.2 2,-0.2 66,-0.2 3,-0.1 0.468 82.4 112.8 -92.2 -4.5 23.3 -3.3 29.3 19 21 A T S < S- 0 0 21 -3,-1.4 65,-3.6 64,-0.1 66,-0.2 -0.513 75.9-113.6 -60.8 132.1 19.7 -2.8 28.1 20 22 A T B > -E 83 0C 43 63,-0.3 4,-2.3 -2,-0.2 5,-0.2 -0.322 14.9-116.5 -67.1 154.4 20.0 -2.5 24.3 21 23 A I H > S+ 0 0 0 61,-2.5 4,-2.5 58,-0.2 60,-0.2 0.909 118.3 55.3 -51.2 -46.2 19.1 0.8 22.5 22 24 A R H > S+ 0 0 98 58,-2.9 4,-2.0 60,-0.2 -1,-0.2 0.935 109.7 44.7 -53.9 -51.1 16.3 -1.1 20.8 23 25 A K H > S+ 0 0 109 57,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.845 110.9 54.1 -64.8 -36.7 14.8 -2.2 24.1 24 26 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.905 108.5 50.2 -61.6 -43.1 15.2 1.3 25.6 25 27 A L H X S+ 0 0 18 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.892 110.2 48.5 -60.2 -44.9 13.3 2.7 22.6 26 28 A M H X S+ 0 0 70 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.907 110.4 52.3 -63.2 -42.4 10.5 0.1 23.1 27 29 A T H X S+ 0 0 18 -4,-2.4 4,-2.3 2,-0.2 6,-0.4 0.937 112.3 46.4 -56.5 -48.1 10.4 1.1 26.8 28 30 A M H X S+ 0 0 2 -4,-2.5 4,-1.0 1,-0.2 5,-0.3 0.947 116.5 42.4 -57.3 -56.1 10.1 4.8 25.8 29 31 A N H < S+ 0 0 52 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.847 118.0 46.4 -63.0 -38.2 7.4 4.2 23.2 30 32 A E H < S+ 0 0 137 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.975 117.6 37.6 -71.1 -57.7 5.4 1.8 25.3 31 33 A N H < S- 0 0 66 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.523 100.5-129.3 -74.3 -7.6 5.4 3.6 28.7 32 34 A K < + 0 0 140 -4,-1.0 2,-0.6 1,-0.2 -3,-0.1 0.449 67.2 132.2 68.0 2.1 5.0 7.0 27.0 33 35 A Y - 0 0 92 -6,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 -0.775 38.2-173.5 -87.6 117.9 7.9 8.2 29.1 34 36 A R + 0 0 32 -2,-0.6 18,-1.3 1,-0.1 2,-0.4 0.176 69.4 65.7 -97.3 16.2 10.5 10.0 27.0 35 37 A R E - C 0 51B 48 16,-0.2 16,-0.2 17,-0.1 -1,-0.1 -0.906 63.8-176.9-140.6 109.3 13.0 10.3 29.9 36 38 A L E - C 0 50B 0 14,-3.1 14,-2.2 -2,-0.4 -22,-0.2 -0.910 17.9-144.1-118.1 110.7 14.6 7.1 31.3 37 39 A P E - C 0 49B 0 0, 0.0 -22,-2.0 0, 0.0 2,-0.5 -0.404 18.2-137.8 -59.0 139.9 17.1 6.9 34.2 38 40 A V E +bC 15 48B 0 10,-3.0 9,-2.8 -24,-0.2 10,-1.6 -0.935 31.7 175.9-104.0 123.3 19.7 4.3 33.7 39 41 A V E - C 0 46B 0 -24,-2.5 7,-0.2 -2,-0.5 2,-0.2 -0.884 35.8-100.5-126.5 155.6 20.4 2.4 36.9 40 42 A N > - 0 0 49 5,-1.8 4,-1.2 -2,-0.3 -24,-0.0 -0.533 24.9-142.3 -69.4 147.7 22.4 -0.6 38.2 41 43 A A T 4 S+ 0 0 81 1,-0.2 -1,-0.1 -2,-0.2 -25,-0.0 0.811 99.8 65.1 -75.5 -35.3 20.3 -3.8 38.4 42 44 A G T 4 S- 0 0 71 3,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.742 122.4 -8.9 111.7-141.7 22.2 -4.0 40.9 43 45 A N T 4 S- 0 0 63 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.223 88.0-113.2-110.0 8.8 22.0 -1.5 43.8 44 46 A N < + 0 0 64 -4,-1.2 81,-2.7 1,-0.2 2,-0.2 0.660 61.5 158.2 65.6 19.5 19.6 0.9 41.9 45 47 A K B -F 124 0D 79 79,-0.3 -5,-1.8 1,-0.1 2,-0.5 -0.554 48.0-114.3 -75.2 136.8 22.2 3.6 41.7 46 48 A V E +C 39 0B 8 77,-2.6 -7,-0.2 -2,-0.2 46,-0.1 -0.603 46.0 159.8 -71.2 116.7 21.7 6.2 38.9 47 49 A V E - 0 0 44 -9,-2.8 2,-0.3 -2,-0.5 44,-0.3 0.415 62.2 -13.9-117.2 -4.5 24.5 5.8 36.5 48 50 A G E -C 38 0B 0 -10,-1.6 -10,-3.0 42,-0.1 2,-0.3 -0.980 52.4-132.7-175.7 179.2 23.0 7.5 33.4 49 51 A I E -CD 37 89B 20 40,-1.6 40,-2.7 -12,-0.3 2,-0.4 -0.974 12.0-165.6-152.4 144.5 19.9 8.9 31.7 50 52 A I E +C 36 0B 1 -14,-2.2 -14,-3.1 -2,-0.3 2,-0.2 -0.997 11.9 172.6-137.5 127.7 18.5 8.5 28.2 51 53 A T E >> -C 35 0B 26 -2,-0.4 4,-1.2 -16,-0.2 3,-0.6 -0.721 50.7 -92.9-124.2 177.5 15.9 10.7 26.5 52 54 A S H 3> S+ 0 0 1 -18,-1.3 4,-2.2 1,-0.2 5,-0.1 0.766 122.4 62.9 -63.5 -26.7 14.4 11.0 23.0 53 55 A M H 3> S+ 0 0 27 -19,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.860 99.6 52.3 -66.6 -37.2 16.9 13.7 22.3 54 56 A D H <> S+ 0 0 15 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.848 110.0 49.7 -63.7 -35.6 19.8 11.2 22.7 55 57 A I H X S+ 0 0 2 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.888 108.8 51.3 -69.5 -41.3 18.0 9.0 20.2 56 58 A V H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 4,-0.4 0.860 110.9 49.6 -61.9 -37.6 17.6 11.9 17.8 57 59 A D H ><>S+ 0 0 21 -4,-2.1 5,-2.0 4,-0.3 3,-1.6 0.964 111.4 48.5 -59.4 -57.1 21.4 12.5 18.2 58 60 A F H 3<5S+ 0 0 0 -4,-2.5 10,-0.3 1,-0.3 -2,-0.2 0.831 106.4 57.9 -50.0 -41.6 22.1 8.8 17.6 59 61 A M T 3<5S- 0 0 8 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.622 139.7 -66.7 -69.4 -14.9 19.8 8.9 14.5 60 62 A G T < 5S+ 0 0 14 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.2 0.197 108.4 103.8 149.4 -23.0 21.9 11.6 12.8 61 63 A G T S+ 0 0 113 1,-0.3 3,-1.5 -2,-0.2 4,-0.1 0.730 115.5 68.8 -65.8 -26.2 28.1 12.8 17.6 64 66 A K G > S+ 0 0 33 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.674 81.3 79.2 -69.0 -15.8 26.3 9.6 18.7 65 67 A Y G X> S+ 0 0 28 -3,-1.7 4,-2.1 -8,-0.4 3,-0.9 0.734 74.4 75.9 -60.3 -24.5 25.4 9.0 15.1 66 68 A N H <>>S+ 0 0 90 -3,-1.5 4,-1.5 1,-0.3 5,-1.3 0.611 80.3 69.6 -70.8 -8.9 28.9 7.7 14.5 67 69 A L H <4>S+ 0 0 21 -3,-1.6 5,-1.4 3,-0.2 -1,-0.3 0.901 109.8 35.0 -66.0 -42.9 27.9 4.5 16.3 68 70 A I H <>5S+ 0 0 4 -3,-0.9 6,-2.7 -4,-0.4 7,-0.5 0.984 123.3 42.0 -68.3 -62.4 25.7 3.8 13.3 69 71 A R H <5S+ 0 0 123 -4,-2.1 -3,-0.2 4,-0.3 -2,-0.1 0.799 128.3 21.2 -64.2 -36.7 27.9 5.2 10.5 70 72 A E T <5S+ 0 0 132 -4,-1.5 3,-0.5 -5,-0.2 -3,-0.2 0.911 127.3 35.7 -99.7 -59.6 31.3 4.0 11.6 71 73 A K T 4< + 0 0 80 -3,-2.8 4,-2.5 -7,-0.5 -1,-0.2 -0.699 24.9 178.2 -86.7 95.8 23.4 -0.6 9.9 76 78 A F H > S+ 0 0 12 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.871 80.3 54.4 -62.7 -41.5 20.8 1.0 12.2 77 79 A L H 4 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.864 113.2 41.6 -64.6 -38.6 19.2 -2.4 13.0 78 80 A A H >4 S+ 0 0 32 1,-0.2 3,-1.8 -6,-0.2 4,-0.2 0.902 111.8 56.6 -70.5 -41.9 22.6 -3.8 14.1 79 81 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -58,-0.2 0.823 97.5 61.8 -60.7 -35.1 23.5 -0.6 15.9 80 82 A I T 3< S+ 0 0 5 -4,-2.0 -58,-2.9 1,-0.3 -57,-0.3 0.538 89.7 70.2 -73.8 -5.1 20.4 -0.7 18.1 81 83 A N T < S+ 0 0 106 -3,-1.8 -1,-0.3 -60,-0.2 -2,-0.2 0.559 78.0 105.6 -82.3 -9.4 21.6 -4.0 19.6 82 84 A E S < S- 0 0 25 -3,-1.7 -61,-2.5 -4,-0.2 -60,-0.2 -0.381 86.5 -95.8 -63.7 146.1 24.4 -2.0 21.4 83 85 A P B > -E 20 0C 22 0, 0.0 3,-2.3 0, 0.0 -63,-0.3 -0.372 29.7-118.2 -63.2 144.7 23.9 -1.4 25.1 84 86 A V G >> S+ 0 0 0 -65,-3.6 3,-1.8 -68,-0.3 4,-1.6 0.735 108.3 78.6 -57.8 -23.3 22.3 1.9 26.0 85 87 A R G 34 S+ 0 0 126 -68,-2.0 -1,-0.3 1,-0.3 -67,-0.1 0.779 82.8 66.4 -58.5 -24.2 25.5 2.7 27.9 86 88 A E G <4 S+ 0 0 95 -3,-2.3 -1,-0.3 -69,-0.2 -2,-0.2 0.771 118.0 19.5 -66.6 -26.5 27.0 3.6 24.5 87 89 A I T <4 S+ 0 0 3 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.411 96.2 110.9-126.9 -1.2 24.7 6.6 24.0 88 90 A M S < S- 0 0 16 -4,-1.6 2,-0.5 -71,-0.1 -38,-0.2 -0.361 71.1-111.1 -71.5 154.1 23.4 7.5 27.5 89 91 A E B -D 49 0B 95 -40,-2.7 -40,-1.6 -2,-0.1 2,-0.2 -0.763 34.6-165.1 -80.7 129.6 24.3 10.7 29.2 90 92 A E + 0 0 125 -2,-0.5 -42,-0.1 -42,-0.2 3,-0.1 -0.470 66.2 57.8-101.1-178.6 26.5 10.0 32.3 91 93 A N S S- 0 0 165 -44,-0.3 -1,-0.2 -2,-0.2 -43,-0.1 0.981 85.5-156.1 57.1 54.4 27.3 12.6 35.0 92 94 A V - 0 0 30 -3,-0.1 2,-0.8 -46,-0.1 -1,-0.1 -0.332 15.9-123.6 -68.8 140.3 23.5 12.9 35.6 93 95 A I + 0 0 67 22,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.801 47.6 167.8 -80.6 113.1 22.0 16.1 37.1 94 96 A T - 0 0 38 -2,-0.8 2,-0.4 22,-0.2 24,-0.2 -0.766 31.1-131.6-121.0 168.0 20.2 14.8 40.2 95 97 A L E -g 118 0E 2 22,-2.6 24,-3.3 -2,-0.2 2,-0.1 -0.950 25.4-117.5-117.6 144.9 18.5 16.1 43.4 96 98 A K E > -g 119 0E 81 -2,-0.4 3,-2.3 22,-0.2 24,-0.2 -0.438 31.4-110.9 -73.3 151.7 18.9 14.8 47.0 97 99 A E T 3 S+ 0 0 87 22,-1.5 -93,-0.3 1,-0.3 23,-0.1 0.666 119.1 52.8 -63.6 -13.8 15.8 13.3 48.7 98 100 A N T 3 S+ 0 0 96 -95,-0.1 -1,-0.3 -96,-0.1 2,-0.1 0.187 81.6 126.1-103.1 14.9 15.8 16.4 51.0 99 101 A A < - 0 0 3 -3,-2.3 -96,-2.6 -97,-0.1 -95,-0.5 -0.447 51.6-138.0 -70.1 144.5 15.9 19.0 48.3 100 102 A D B > -A 2 0A 46 -98,-0.3 4,-1.7 -97,-0.1 3,-0.4 -0.567 26.5-100.4 -98.6 168.9 13.2 21.7 48.3 101 103 A I H > S+ 0 0 13 -100,-2.7 4,-2.7 1,-0.2 5,-0.2 0.795 118.5 60.8 -54.5 -38.4 11.2 23.1 45.4 102 104 A D H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.917 105.6 48.0 -56.6 -48.0 13.4 26.3 45.2 103 105 A E H > S+ 0 0 78 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.928 110.5 50.9 -60.2 -47.0 16.4 24.1 44.4 104 106 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.923 111.6 48.5 -56.7 -46.7 14.5 22.1 41.8 105 107 A I H X S+ 0 0 9 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.920 111.5 48.1 -60.5 -47.8 13.4 25.3 40.1 106 108 A E H X S+ 0 0 125 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.866 111.9 51.9 -61.6 -36.3 16.9 26.8 40.1 107 109 A T H X S+ 0 0 19 -4,-2.4 4,-2.2 2,-0.2 6,-0.4 0.945 112.0 44.4 -63.7 -49.8 18.2 23.5 38.7 108 110 A F H <>S+ 0 0 0 -4,-2.6 5,-0.5 1,-0.2 4,-0.3 0.883 117.9 45.8 -61.6 -40.4 15.7 23.5 35.8 109 111 A L H <5S+ 0 0 44 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.787 124.7 27.0 -76.0 -31.9 16.3 27.2 35.1 110 112 A T H <5S+ 0 0 86 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.648 119.8 50.2-109.8 -19.0 20.1 27.3 35.2 111 113 A K T <5S- 0 0 126 -4,-2.2 -2,-0.1 -5,-0.3 -3,-0.1 0.226 98.3-124.5-107.4 12.8 21.2 23.8 34.2 112 114 A N T 5 + 0 0 119 -4,-0.3 2,-0.3 1,-0.2 -4,-0.1 0.860 66.8 126.9 48.1 46.7 19.1 23.4 31.0 113 115 A V < - 0 0 33 -5,-0.5 -1,-0.2 -6,-0.4 -2,-0.2 -0.950 46.6-162.2-127.1 150.4 17.3 20.2 32.2 114 116 A G S S+ 0 0 14 -2,-0.3 17,-2.3 1,-0.3 2,-0.3 0.450 77.8 26.1-108.8 -5.5 13.6 19.5 32.3 115 117 A G E - H 0 130E 4 15,-0.3 -1,-0.3 16,-0.1 15,-0.3 -0.978 62.7-166.5-159.1 144.4 13.6 16.5 34.7 116 118 A A E - H 0 129E 0 13,-2.9 13,-2.1 -2,-0.3 -22,-0.2 -0.990 23.8-120.6-142.0 129.2 15.9 15.2 37.4 117 119 A P E - H 0 128E 0 0, 0.0 -22,-2.6 0, 0.0 2,-0.5 -0.381 26.2-136.4 -59.3 140.4 16.2 11.9 39.3 118 120 A I E -gH 95 127E 0 9,-2.3 8,-3.2 -24,-0.2 9,-1.6 -0.930 31.4-176.6-100.8 125.3 15.8 12.3 43.0 119 121 A V E -gH 96 125E 0 -24,-3.3 -22,-1.5 -2,-0.5 6,-0.2 -0.828 21.6-128.9-122.9 158.5 18.4 10.2 44.8 120 122 A N > - 0 0 18 4,-1.8 3,-1.7 -2,-0.3 -1,-0.1 -0.166 51.9 -77.5 -88.2-167.7 19.4 9.2 48.3 121 123 A D T 3 S+ 0 0 121 1,-0.3 -25,-0.0 2,-0.1 -1,-0.0 0.714 133.0 52.9 -69.2 -19.7 22.8 9.5 49.9 122 124 A E T 3 S- 0 0 112 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.317 118.5-110.7 -92.3 6.6 24.0 6.4 48.1 123 125 A N < + 0 0 55 -3,-1.7 -77,-2.6 1,-0.3 2,-0.2 0.665 67.8 153.2 68.0 18.8 22.9 7.8 44.7 124 126 A Q B -F 45 0D 67 -79,-0.3 -4,-1.8 1,-0.1 -79,-0.3 -0.575 54.3-100.6 -76.9 140.5 20.1 5.2 44.7 125 127 A L E +H 119 0E 19 -81,-2.7 -6,-0.2 -2,-0.2 -1,-0.1 -0.462 48.9 162.1 -67.4 126.2 17.0 6.2 42.7 126 128 A I E - 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0 0 92 -5,-1.8 -1,-0.2 -6,-0.3 -2,-0.1 -0.947 38.9-169.9-114.2 119.8 15.4 22.1 21.5 178 180 A R S S+ 0 0 70 -2,-0.5 16,-1.5 1,-0.1 2,-0.5 0.745 77.6 51.1 -71.8 -27.7 13.0 19.1 21.5 179 181 A R E - N 0 193H 46 14,-0.2 14,-0.2 -7,-0.1 -1,-0.1 -0.961 61.4-178.1-124.7 126.0 10.3 21.2 19.7 180 182 A L E - N 0 192H 0 12,-2.9 12,-2.3 -2,-0.5 -22,-0.2 -0.976 25.1-131.2-118.3 126.0 10.6 23.2 16.5 181 183 A P E - N 0 191H 0 0, 0.0 -22,-2.7 0, 0.0 2,-0.6 -0.527 23.7-131.0 -65.0 142.5 7.8 25.2 15.0 182 184 A V E -mN 159 190H 0 8,-2.9 7,-3.2 -24,-0.2 8,-1.3 -0.904 30.7-173.2-100.0 125.3 7.5 24.5 11.3 183 185 A V E - N 0 188H 18 -24,-2.7 2,-0.4 -2,-0.6 5,-0.2 -0.950 15.2-176.5-126.9 137.5 7.3 27.7 9.3 184 186 A S E > S- N 0 187H 55 3,-2.7 3,-1.7 -2,-0.4 -24,-0.0 -0.979 77.9 -12.3-136.8 121.2 6.6 28.4 5.6 185 187 A E T 3 S- 0 0 190 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.933 130.2 -53.5 53.2 49.2 6.8 32.0 4.1 186 188 A G T 3 S+ 0 0 33 1,-0.2 78,-0.9 77,-0.1 2,-0.4 0.360 117.1 112.7 70.8 -5.0 6.8 33.4 7.7 187 189 A R E < S-NO 184 263H 85 -3,-1.7 -3,-2.7 76,-0.2 2,-0.3 -0.815 73.2-114.5-103.9 139.7 3.7 31.5 8.7 188 190 A L E +N 183 0H 15 74,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.548 40.1 164.2 -66.3 126.2 3.3 28.7 11.3 189 191 A V E - 0 0 51 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.422 59.3 -32.4-125.8 -5.4 2.3 25.5 9.3 190 192 A G E -N 182 0H 0 -8,-1.3 -8,-2.9 40,-0.1 -1,-0.3 -0.981 53.4-108.9 174.5-175.4 3.0 22.8 11.9 191 193 A I E -NP 181 228H 21 37,-2.0 37,-2.6 -2,-0.3 2,-0.4 -0.990 19.6-167.3-140.8 146.0 5.2 21.6 14.8 192 194 A I E -N 180 0H 0 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.3 -0.999 9.3-178.0-134.6 135.2 7.7 18.8 15.0 193 195 A T E >> -N 179 0H 26 -2,-0.4 4,-0.9 -14,-0.2 3,-0.7 -0.849 43.8-104.8-128.5 166.2 9.3 17.3 18.2 194 196 A S H 3> S+ 0 0 0 -16,-1.5 4,-1.4 -2,-0.3 3,-0.2 0.799 119.0 63.8 -58.7 -29.5 11.9 14.6 19.1 195 197 A T H 3> S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.862 95.6 57.2 -61.0 -41.5 8.9 12.4 20.0 196 198 A D H <> S+ 0 0 30 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.844 103.7 53.9 -57.3 -37.0 7.7 12.4 16.4 197 199 A F H X S+ 0 0 1 -4,-0.9 4,-1.3 -3,-0.2 -1,-0.2 0.883 109.9 46.2 -69.1 -37.8 11.1 11.0 15.4 198 200 A I H X S+ 0 0 1 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.889 111.2 52.4 -66.5 -43.2 10.8 8.1 17.9 199 201 A K H < S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.858 105.3 55.3 -62.7 -37.9 7.2 7.4 16.7 200 202 A L H >< S+ 0 0 19 -4,-1.9 3,-1.4 1,-0.2 6,-0.4 0.901 104.8 54.2 -59.5 -42.1 8.4 7.2 13.1 201 203 A L H 3< S+ 0 0 15 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.865 106.9 50.4 -61.0 -40.4 10.9 4.5 14.2 202 204 A G T 3< S+ 0 0 59 -4,-1.6 -1,-0.3 4,-0.1 2,-0.2 0.020 92.6 112.0 -87.9 27.7 8.2 2.4 15.7 203 205 A S S <> S- 0 0 31 -3,-1.4 4,-2.1 1,-0.1 5,-0.2 -0.579 75.7-125.1 -96.7 162.0 6.0 2.6 12.6 204 206 A D H > S+ 0 0 153 2,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.941 114.9 56.7 -61.5 -49.6 5.1 -0.1 10.1 205 207 A W H > S+ 0 0 107 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.840 110.7 44.9 -50.0 -39.1 6.4 2.2 7.3 206 208 A A H > S+ 0 0 0 -6,-0.4 4,-2.3 2,-0.2 3,-0.3 0.938 109.4 49.6 -75.2 -51.0 9.8 2.2 9.2 207 209 A F H X S+ 0 0 81 -4,-2.1 4,-1.6 1,-0.2 6,-0.2 0.843 107.5 59.5 -61.4 -32.8 10.3 -1.5 10.0 208 210 A N H X S+ 0 0 88 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.931 109.0 42.2 -54.3 -50.1 9.5 -2.2 6.4 209 211 A H H < S+ 0 0 31 -4,-1.1 4,-0.4 -3,-0.3 3,-0.3 0.897 108.9 58.6 -64.7 -43.6 12.5 -0.0 5.3 210 212 A M H < S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.840 101.9 54.7 -56.7 -39.3 14.9 -1.4 7.9 211 213 A Q H < S+ 0 0 120 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.877 122.4 28.0 -62.8 -43.3 14.5 -5.0 6.7 212 214 A T S < S- 0 0 102 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.328 112.2-158.0 -93.6 3.0 15.5 -4.0 3.2 213 215 A G + 0 0 38 -4,-0.4 -3,-0.1 1,-0.2 2,-0.1 0.086 59.7 145.2 -44.5 127.6 17.5 -1.2 4.7 214 216 A N > - 0 0 79 -5,-0.1 3,-0.7 -139,-0.0 -1,-0.2 -0.823 32.1-177.2 46.8 44.6 18.2 1.1 3.1 215 217 A V T >> + 0 0 17 -141,-0.3 3,-1.5 1,-0.2 4,-0.6 0.639 67.6 87.2 -69.1 -14.4 17.7 2.6 6.6 216 218 A R H 3> + 0 0 132 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.740 70.0 66.1 -64.0 -30.4 18.4 5.9 4.8 217 219 A E H <> S+ 0 0 78 -3,-0.7 4,-0.6 1,-0.2 -1,-0.3 0.737 93.6 64.8 -68.5 -18.8 14.9 6.6 3.6 218 220 A I H X4 S+ 0 0 8 -3,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.966 108.7 36.3 -62.2 -53.9 13.9 7.1 7.3 219 221 A T H 3< S+ 0 0 23 -4,-0.6 -53,-2.6 1,-0.2 -52,-0.3 0.603 110.8 62.7 -79.9 -9.8 16.2 10.1 7.8 220 222 A N H 3< S+ 0 0 33 -4,-1.2 -1,-0.2 -55,-0.2 -2,-0.2 0.612 77.0 116.5 -84.9 -12.7 15.5 11.4 4.2 221 223 A V << - 0 0 19 -3,-0.8 -56,-2.5 -4,-0.6 2,-0.2 -0.240 65.3-126.4 -55.7 139.8 11.7 11.9 5.1 222 224 A R B >> -Q 164 0I 101 -58,-0.2 3,-2.0 -57,-0.1 4,-0.6 -0.651 16.1-114.4 -95.4 151.8 10.6 15.5 5.0 223 225 A M H >> S+ 0 0 0 -60,-2.0 4,-3.3 -63,-0.4 3,-1.2 0.814 110.9 66.3 -51.8 -40.0 8.8 17.3 7.8 224 226 A E H 34 S+ 0 0 78 -63,-2.6 -1,-0.3 1,-0.3 -62,-0.1 0.787 98.6 55.4 -52.7 -30.7 5.5 17.7 5.9 225 227 A E H <4 S+ 0 0 134 -3,-2.0 -1,-0.3 -64,-0.3 -2,-0.2 0.805 124.9 17.7 -74.1 -30.3 5.1 13.9 6.0 226 228 A I H << S+ 0 0 36 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.1 0.544 95.1 110.6-124.1 -13.0 5.4 13.6 9.8 227 229 A M S < S- 0 0 18 -4,-3.3 2,-0.7 -5,-0.2 -35,-0.2 -0.181 71.2-113.3 -64.9 157.8 4.7 17.0 11.3 228 230 A K B -P 191 0H 120 -37,-2.6 -37,-2.0 1,-0.1 -1,-0.1 -0.871 28.1-168.0 -90.0 114.8 1.6 17.9 13.3 229 231 A R S S+ 0 0 145 -2,-0.7 2,-0.8 -39,-0.2 -1,-0.1 0.813 71.4 65.7 -77.9 -31.9 -0.2 20.5 11.2 230 232 A D S S- 0 0 131 -39,-0.1 2,-0.3 -40,-0.0 -1,-0.2 -0.822 74.2-172.1-101.2 107.7 -2.6 21.6 13.8 231 233 A V - 0 0 31 -2,-0.8 2,-0.6 -43,-0.1 24,-0.1 -0.751 27.7-129.1-106.7 139.3 -0.7 23.3 16.6 232 234 A I - 0 0 80 -2,-0.3 2,-0.2 22,-0.2 22,-0.0 -0.809 44.0-176.6 -81.4 119.4 -1.8 24.6 20.0 233 235 A T - 0 0 50 -2,-0.6 2,-0.3 22,-0.2 24,-0.2 -0.706 22.9-144.4-118.1 162.7 -0.5 28.2 20.0 234 236 A A B -k 257 0G 1 22,-2.5 24,-2.6 -2,-0.2 2,-0.3 -0.739 14.2-154.2-113.5 171.3 -0.4 31.1 22.4 235 237 A K > - 0 0 76 -2,-0.3 3,-2.2 22,-0.2 -87,-0.2 -0.988 33.6 -84.0-143.4 153.3 -0.6 34.8 21.5 236 238 A E T 3 S+ 0 0 104 -2,-0.3 3,-0.1 22,-0.3 22,-0.0 -0.265 115.9 35.9 -53.0 136.9 0.6 38.1 23.1 237 239 A G T 3 S+ 0 0 42 1,-0.4 -1,-0.3 -3,-0.0 2,-0.0 0.117 84.4 132.9 101.4 -20.9 -1.8 39.1 25.8 238 240 A D < - 0 0 33 -3,-2.2 -90,-2.1 1,-0.1 -1,-0.4 -0.304 63.6-104.7 -63.7 148.2 -2.7 35.6 27.0 239 241 A K B > -I 147 0F 91 -92,-0.2 4,-2.1 1,-0.1 -92,-0.3 -0.529 17.1-135.9 -76.5 139.0 -2.6 34.9 30.7 240 242 A L H > S+ 0 0 0 -94,-2.3 4,-3.1 1,-0.2 5,-0.2 0.884 105.7 53.8 -60.4 -40.7 0.4 32.9 32.1 241 243 A K H > S+ 0 0 46 -95,-0.4 4,-2.2 -98,-0.4 -1,-0.2 0.870 107.1 50.3 -64.2 -39.7 -1.9 30.8 34.2 242 244 A K H > S+ 0 0 105 2,-0.2 4,-2.2 -98,-0.2 -2,-0.2 0.952 114.4 44.5 -61.4 -49.7 -4.1 29.9 31.2 243 245 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.942 112.9 50.5 -60.1 -50.9 -1.0 28.8 29.2 244 246 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.875 110.9 50.7 -53.1 -41.9 0.5 26.9 32.1 245 247 A E H X S+ 0 0 96 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.896 107.0 53.0 -65.9 -42.6 -2.8 25.1 32.7 246 248 A I H X S+ 0 0 35 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.918 111.4 47.2 -56.6 -45.6 -3.0 24.1 29.0 247 249 A M H >X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 3,-0.8 0.944 114.5 44.8 -59.7 -51.2 0.6 22.6 29.1 248 250 A V H 3<5S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.776 113.8 47.7 -72.2 -30.5 0.0 20.7 32.3 249 251 A T H 3<5S+ 0 0 92 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.523 121.7 37.5 -87.8 -5.7 -3.4 19.2 31.4 250 252 A N H <<5S- 0 0 86 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.351 102.0-122.5-122.7 2.6 -2.1 18.1 28.0 251 253 A D T <5 + 0 0 97 -4,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.933 65.7 140.7 47.7 49.2 1.4 17.0 28.7 252 254 A I < - 0 0 46 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.936 36.8-169.0-117.1 143.2 2.7 19.6 26.1 253 255 A G + 0 0 1 -2,-0.4 17,-1.8 1,-0.2 2,-0.3 0.578 64.7 38.4-108.7 -12.3 5.8 21.5 26.9 254 256 A A E - L 0 269G 4 15,-0.2 15,-0.2 16,-0.1 -1,-0.2 -0.992 50.4-170.1-148.5 132.0 5.8 24.2 24.2 255 257 A L E - L 0 268G 0 13,-2.5 13,-2.2 -2,-0.3 -22,-0.2 -0.991 25.9-130.6-118.7 125.8 3.4 26.6 22.4 256 258 A P E - L 0 267G 0 0, 0.0 -22,-2.5 0, 0.0 2,-0.6 -0.518 24.5-130.7 -63.1 138.6 4.4 28.6 19.4 257 259 A V E -kL 234 266G 0 9,-2.8 8,-3.2 -24,-0.2 9,-1.2 -0.881 37.4-179.6 -97.5 122.8 3.3 32.3 19.9 258 260 A V E - L 0 264G 5 -24,-2.6 -22,-0.3 -2,-0.6 6,-0.2 -0.834 29.4-118.7-127.3 161.5 1.5 33.6 16.8 259 261 A D > - 0 0 56 4,-2.2 3,-0.8 -2,-0.3 -1,-0.1 -0.230 43.8-103.6 -71.2 171.0 -0.3 36.5 15.1 260 262 A E T 3 S+ 0 0 160 1,-0.2 -1,-0.1 2,-0.1 -25,-0.0 0.740 132.2 51.6 -68.5 -23.5 -3.9 36.3 14.1 261 263 A N T 3 S- 0 0 110 2,-0.1 -1,-0.2 -74,-0.0 3,-0.1 0.373 124.0-112.2 -91.1 3.7 -2.2 35.9 10.7 262 264 A L < + 0 0 82 -3,-0.8 -74,-2.8 1,-0.3 2,-0.3 0.652 64.5 150.6 75.0 19.0 -0.1 33.1 12.1 263 265 A R B -O 187 0H 118 -76,-0.2 -4,-2.2 1,-0.1 2,-0.5 -0.626 53.2-108.2 -73.7 143.1 3.2 34.9 11.9 264 266 A I E + L 0 258G 37 -78,-0.9 -6,-0.3 -2,-0.3 -108,-0.1 -0.627 40.2 170.8 -82.3 124.1 5.5 33.7 14.6 265 267 A K E - 0 0 83 -8,-3.2 2,-0.3 -2,-0.5 -7,-0.2 0.518 63.5 -62.5-102.6 -11.5 6.2 36.1 17.5 266 268 A G E - L 0 257G 0 -9,-1.2 -9,-2.8 -111,-0.1 2,-0.3 -0.987 48.8 -97.0 159.2-165.0 8.0 33.7 19.7 267 269 A I E -JL 153 256G 19 -114,-1.4 -114,-2.9 -2,-0.3 2,-0.4 -0.970 22.3-157.6-149.3 148.4 7.7 30.4 21.6 268 270 A I E - L 0 255G 0 -13,-2.2 -13,-2.5 -2,-0.3 2,-0.2 -1.000 14.6-179.6-132.8 136.6 6.9 29.7 25.3 269 271 A T E > - L 0 254G 36 -2,-0.4 4,-2.0 -118,-0.3 3,-0.3 -0.767 45.7 -93.5-128.0 173.9 7.8 26.6 27.2 270 272 A E H > S+ 0 0 8 -17,-1.8 4,-1.9 -2,-0.2 5,-0.1 0.823 124.0 56.5 -55.5 -36.3 7.4 25.1 30.6 271 273 A K H 4 S+ 0 0 35 -18,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.905 107.1 49.5 -63.8 -40.3 10.9 26.4 31.5 272 274 A D H >4 S+ 0 0 7 -3,-0.3 3,-1.0 1,-0.2 4,-0.3 0.865 107.0 54.6 -63.2 -41.7 9.7 29.9 30.7 273 275 A V H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 4,-0.3 0.913 102.5 58.0 -56.8 -44.0 6.6 29.5 32.8 274 276 A L G >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.645 85.8 77.9 -65.7 -14.0 8.8 28.6 35.7 275 277 A K G X S+ 0 0 96 -3,-1.0 3,-1.0 -4,-0.5 -1,-0.3 0.686 79.5 72.7 -68.0 -16.9 10.6 31.9 35.4 276 278 A Y G < S+ 0 0 63 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.862 101.1 43.1 -57.2 -38.4 7.5 33.3 37.2 277 279 A F G < 0 0 56 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.231 360.0 360.0 -98.1 12.4 8.9 31.7 40.3 278 280 A A < 0 0 120 -3,-1.0 -1,-0.2 -173,-0.1 -2,-0.1 0.851 360.0 360.0 -75.3 360.0 12.5 32.7 39.8