==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-DEC-09 3L18 . COMPND 2 MOLECULE: INTRACELLULAR PROTEASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS ONNURINEUS; . AUTHOR H.J.JUNG,S.S.CHA . 335 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.6 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 2 3 1 1 0 0 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 A 0 0 110 0, 0.0 2,-0.3 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 159.2 -28.9 17.6 -12.4 2 0 A S - 0 0 81 27,-0.1 2,-0.3 28,-0.0 28,-0.1 -0.658 360.0-154.0 -87.8 144.1 -26.0 19.9 -13.2 3 1 A M - 0 0 31 -2,-0.3 28,-2.6 164,-0.2 2,-0.6 -0.763 18.7-129.6-118.2 158.7 -26.6 23.7 -13.5 4 2 A K E -a 31 0A 75 -2,-0.3 61,-2.8 26,-0.2 62,-1.2 -0.962 32.4-162.1-104.1 116.4 -25.0 26.7 -15.2 5 3 A V E -ab 32 66A 0 26,-3.2 28,-2.4 -2,-0.6 2,-0.3 -0.897 3.1-152.5-111.7 126.1 -24.5 29.4 -12.5 6 4 A L E -ab 33 67A 0 60,-2.7 62,-2.2 -2,-0.5 2,-0.4 -0.774 4.5-161.7-100.8 138.7 -24.0 33.1 -13.4 7 5 A F E -ab 34 68A 0 26,-2.5 28,-3.0 -2,-0.3 2,-0.6 -0.985 5.3-154.6-121.9 125.4 -22.0 35.5 -11.2 8 6 A L E +a 35 0A 1 60,-1.9 2,-0.3 -2,-0.4 28,-0.2 -0.901 36.9 130.1-102.3 121.8 -22.4 39.3 -11.7 9 7 A S - 0 0 1 26,-2.2 2,-0.3 -2,-0.6 28,-0.2 -0.865 29.5-168.6-156.5-176.4 -19.4 41.3 -10.5 10 8 A A > - 0 0 1 -2,-0.3 3,-1.1 26,-0.1 64,-0.2 -0.952 50.8 -46.3-167.8 172.1 -16.9 44.0 -11.3 11 9 A D T 3 S+ 0 0 96 -2,-0.3 33,-0.2 1,-0.2 34,-0.0 -0.224 120.7 40.6 -48.8 140.8 -13.7 45.6 -10.1 12 10 A G T 3 S+ 0 0 13 31,-2.9 61,-2.7 1,-0.3 62,-0.6 0.519 79.0 152.2 94.6 5.4 -13.9 46.2 -6.4 13 11 A F B < -G 72 0B 0 -3,-1.1 32,-2.7 30,-0.4 2,-0.8 -0.287 59.3-100.9 -64.5 154.2 -15.6 42.9 -5.5 14 12 A E >> - 0 0 15 57,-1.4 4,-1.3 30,-0.2 3,-0.5 -0.744 37.2-140.7 -76.4 116.6 -15.1 41.5 -2.0 15 13 A D H >> S+ 0 0 0 -2,-0.8 4,-2.6 1,-0.3 3,-0.6 0.840 94.5 44.6 -54.6 -50.4 -12.5 38.8 -3.0 16 14 A L H 3> S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.867 108.2 58.9 -62.8 -37.6 -13.8 36.0 -0.7 17 15 A E H <4 S+ 0 0 0 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.740 116.2 32.5 -70.3 -25.4 -17.4 36.6 -1.6 18 16 A L H S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.859 110.0 60.1 -64.0 -29.7 -18.8 30.5 -4.2 22 20 A L H X S+ 0 0 22 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.973 115.1 33.8 -57.6 -53.6 -17.0 30.1 -7.6 23 21 A H H X S+ 0 0 28 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.894 117.7 53.2 -69.0 -42.7 -14.9 27.2 -6.2 24 22 A R H X S+ 0 0 5 -4,-2.9 4,-0.7 -5,-0.2 -1,-0.2 0.902 114.1 42.3 -60.6 -41.9 -17.6 25.8 -3.9 25 23 A I H ><>S+ 0 0 0 -4,-2.6 5,-1.2 -5,-0.2 3,-0.9 0.917 112.3 53.0 -73.4 -42.3 -20.2 25.6 -6.7 26 24 A K H ><5S+ 0 0 94 -4,-2.2 3,-2.1 -5,-0.4 -2,-0.2 0.842 98.5 66.6 -59.0 -35.1 -17.6 24.2 -9.2 27 25 A E H 3<5S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.882 96.0 56.8 -51.5 -38.6 -16.8 21.5 -6.7 28 26 A E T <<5S- 0 0 86 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.507 123.8-104.3 -74.2 -5.7 -20.3 20.1 -7.2 29 27 A G T < 5S+ 0 0 48 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.449 77.2 137.4 90.4 2.5 -19.7 19.8 -11.0 30 28 A H < - 0 0 12 -5,-1.2 2,-0.4 -28,-0.1 -1,-0.3 -0.379 56.8-115.6 -70.6 158.0 -21.8 22.8 -11.9 31 29 A E E -a 4 0A 88 -28,-2.6 -26,-3.2 -3,-0.1 2,-0.4 -0.851 28.5-154.8 -98.0 136.6 -20.5 25.2 -14.5 32 30 A V E -a 5 0A 33 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.911 11.2-175.5-117.7 136.9 -19.7 28.7 -13.4 33 31 A Y E -a 6 0A 54 -28,-2.4 -26,-2.5 -2,-0.4 2,-0.5 -0.996 12.6-151.2-131.6 137.2 -19.6 31.9 -15.5 34 32 A V E -a 7 0A 3 -2,-0.4 19,-2.8 -28,-0.2 20,-1.6 -0.938 13.0-169.0-109.8 122.3 -18.6 35.4 -14.5 35 33 A A E +ac 8 54A 0 -28,-3.0 -26,-2.2 -2,-0.5 2,-0.2 -0.900 18.0 148.3-107.9 142.2 -20.2 38.4 -16.3 36 34 A S E - c 0 55A 4 18,-1.6 20,-1.5 -2,-0.4 -26,-0.1 -0.805 61.4 -76.2-150.5-169.2 -19.0 41.9 -16.0 37 35 A F S S+ 0 0 84 -2,-0.2 2,-0.3 -28,-0.2 20,-0.2 0.863 110.5 17.1 -66.8 -38.2 -18.9 45.2 -18.1 38 36 A Q S S- 0 0 153 16,-0.1 -1,-0.1 17,-0.1 16,-0.1 -0.964 79.8-107.2-136.9 148.8 -15.9 43.9 -20.2 39 37 A R S S+ 0 0 149 -2,-0.3 2,-0.4 14,-0.1 14,-0.1 -0.241 85.0 59.6 -59.1 162.8 -14.1 40.7 -21.1 40 38 A G E S-H 52 0C 37 12,-0.7 12,-2.7 2,-0.0 2,-0.3 -0.950 97.8 -35.4 118.8-134.0 -10.7 40.4 -19.5 41 39 A K E -H 51 0C 133 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.890 40.1-150.0-125.5 157.9 -10.2 40.3 -15.7 42 40 A I E -H 50 0C 7 8,-2.7 8,-2.4 -2,-0.3 2,-0.4 -0.944 16.1-143.7-121.6 153.3 -11.7 42.0 -12.7 43 41 A T E -H 49 0C 47 -2,-0.3 -31,-2.9 6,-0.2 -30,-0.4 -0.951 11.7-132.9-124.7 134.1 -9.7 42.7 -9.5 44 42 A G > - 0 0 8 4,-3.0 3,-1.9 -2,-0.4 -30,-0.2 -0.246 31.7 -99.0 -80.0 166.9 -11.0 42.5 -5.9 45 43 A K T 3 S+ 0 0 112 -32,-2.7 -31,-0.1 1,-0.3 -1,-0.1 0.796 126.9 43.7 -44.5 -38.2 -10.7 45.0 -3.0 46 44 A H T 3 S- 0 0 54 -33,-0.3 -1,-0.3 2,-0.1 170,-0.1 0.204 124.3 -99.5-103.5 11.0 -7.8 42.8 -1.8 47 45 A G S < S+ 0 0 42 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.359 73.0 138.2 96.5 -5.6 -6.1 42.3 -5.1 48 46 A Y - 0 0 22 166,-0.1 -4,-3.0 -5,-0.1 2,-0.3 -0.488 43.1-138.2 -73.6 146.3 -7.2 38.9 -6.3 49 47 A S E -H 43 0C 72 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.829 17.0-171.7-108.7 146.3 -8.0 38.6 -10.0 50 48 A V E -H 42 0C 17 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.2 -0.998 24.3-122.0-132.8 136.9 -10.9 36.7 -11.6 51 49 A N E -H 41 0C 115 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.539 21.5-132.9 -77.0 145.6 -11.4 36.2 -15.4 52 50 A V E -H 40 0C 5 -12,-2.7 -12,-0.7 -2,-0.2 -17,-0.2 -0.855 15.1-169.2-101.4 130.2 -14.6 37.4 -17.0 53 51 A D - 0 0 69 -19,-2.8 2,-0.3 -2,-0.5 -18,-0.2 0.793 67.7 -7.1 -88.5 -33.7 -16.4 35.0 -19.3 54 52 A L E -c 35 0A 22 -20,-1.6 -18,-1.6 -16,-0.1 -1,-0.3 -0.973 69.1-108.0-158.1 163.0 -18.9 37.3 -20.9 55 53 A T E >> -c 36 0A 25 -2,-0.3 4,-0.9 -20,-0.2 3,-0.6 -0.565 35.8-108.0 -93.3 164.0 -20.2 40.9 -20.7 56 54 A F G >4 S+ 0 0 3 -20,-1.5 3,-0.8 1,-0.2 -19,-0.1 0.886 120.9 54.8 -57.8 -41.0 -23.7 41.9 -19.4 57 55 A E G 34 S+ 0 0 136 1,-0.2 -1,-0.2 -20,-0.2 -20,-0.1 0.822 106.2 52.9 -58.9 -34.1 -24.8 42.7 -23.0 58 56 A E G <4 S+ 0 0 97 -3,-0.6 2,-0.2 2,-0.0 -1,-0.2 0.654 86.8 106.4 -76.8 -18.5 -23.8 39.1 -24.0 59 57 A V << - 0 0 15 -4,-0.9 3,-0.1 -3,-0.8 -3,-0.0 -0.452 50.3-165.2 -72.9 128.6 -25.9 37.4 -21.3 60 58 A D > - 0 0 67 -2,-0.2 3,-2.5 1,-0.1 4,-0.3 -0.954 12.6-154.5-104.1 107.7 -29.1 35.7 -22.2 61 59 A P G > S+ 0 0 12 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.783 91.1 63.6 -55.0 -28.3 -30.7 35.2 -18.7 62 60 A D G 3 S+ 0 0 87 1,-0.3 -3,-0.0 -3,-0.1 25,-0.0 0.651 92.3 64.4 -71.9 -12.9 -32.6 32.2 -20.0 63 61 A E G < S+ 0 0 113 -3,-2.5 2,-0.3 2,-0.0 -1,-0.3 0.588 95.1 72.7 -82.7 -11.4 -29.4 30.4 -20.7 64 62 A F < - 0 0 6 -3,-1.4 -59,-0.2 -4,-0.3 3,-0.1 -0.818 58.5-162.0-116.0 148.1 -28.5 30.3 -16.9 65 63 A D S S+ 0 0 61 -61,-2.8 2,-0.3 -2,-0.3 -60,-0.2 0.644 73.8 15.6 -99.9 -22.2 -30.0 28.3 -14.1 66 64 A A E -b 5 0A 0 -62,-1.2 -60,-2.7 30,-0.2 2,-0.4 -0.975 62.9-141.2-153.9 159.4 -28.9 30.2 -11.0 67 65 A L E -bd 6 98A 0 30,-2.5 32,-2.9 -2,-0.3 2,-0.4 -0.972 6.2-165.0-133.6 137.9 -27.5 33.6 -10.0 68 66 A V E -bd 7 99A 0 -62,-2.2 -60,-1.9 -2,-0.4 32,-0.2 -0.995 1.1-169.0-124.9 130.5 -24.9 34.7 -7.5 69 67 A L E - d 0 100A 0 30,-3.4 32,-1.6 -2,-0.4 35,-0.2 -0.818 11.1-170.5-122.0 89.0 -24.5 38.3 -6.4 70 68 A P - 0 0 2 0, 0.0 -52,-0.1 0, 0.0 -55,-0.1 -0.178 14.9-128.6 -72.1 172.2 -21.3 38.9 -4.3 71 69 A G + 0 0 0 -57,-0.2 -57,-1.4 32,-0.1 3,-0.4 0.150 53.1 101.0-104.6-144.3 -20.5 42.1 -2.5 72 70 A G B S-G 13 0B 4 -59,-0.3 -59,-0.2 1,-0.2 4,-0.2 -0.654 99.3 -46.2 92.3-156.9 -17.7 44.7 -2.1 73 71 A K S >> S+ 0 0 145 -61,-2.7 3,-0.8 -2,-0.2 4,-0.7 0.604 120.4 86.9 -82.9 -17.2 -17.9 48.0 -4.0 74 72 A A H >> S+ 0 0 1 -62,-0.6 4,-3.0 -3,-0.4 3,-1.2 0.862 77.0 60.5 -59.2 -41.5 -18.9 46.2 -7.2 75 73 A P H 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.856 96.3 62.6 -58.2 -32.4 -22.7 46.2 -6.6 76 74 A E H <4 S+ 0 0 111 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.811 115.6 30.9 -62.2 -27.3 -22.8 50.0 -6.5 77 75 A I H X< S+ 0 0 78 -3,-1.2 3,-1.1 -4,-0.7 4,-0.3 0.778 116.2 57.4 -97.6 -32.9 -21.6 50.2 -10.1 78 76 A V H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.2 7,-0.3 0.892 100.5 59.7 -59.5 -38.2 -23.2 46.9 -11.3 79 77 A R T 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.608 98.5 59.4 -68.0 -11.6 -26.7 48.3 -10.2 80 78 A L T < S+ 0 0 133 -3,-1.1 2,-0.8 -5,-0.1 -1,-0.3 0.513 84.3 90.5 -90.9 -8.6 -26.2 51.2 -12.7 81 79 A N <> - 0 0 38 -3,-1.8 4,-2.0 -4,-0.3 5,-0.2 -0.816 67.5-156.3 -92.2 113.0 -25.9 48.8 -15.6 82 80 A E H > S+ 0 0 174 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.855 90.8 52.2 -61.5 -37.0 -29.4 48.4 -16.9 83 81 A K H > S+ 0 0 73 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.932 108.4 50.4 -62.2 -46.3 -28.7 45.0 -18.5 84 82 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.890 113.2 46.2 -59.5 -41.4 -27.2 43.6 -15.3 85 83 A V H X S+ 0 0 21 -4,-2.0 4,-2.6 -7,-0.3 -1,-0.2 0.893 111.7 51.5 -70.2 -38.0 -30.3 44.7 -13.4 86 84 A M H X S+ 0 0 91 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.910 109.8 50.0 -64.3 -42.7 -32.6 43.3 -16.1 87 85 A I H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.934 111.9 48.6 -56.6 -48.2 -30.8 39.9 -15.9 88 86 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.936 111.8 48.2 -61.3 -46.3 -31.2 39.9 -12.2 89 87 A R H X S+ 0 0 108 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.921 112.7 48.7 -62.9 -42.8 -34.9 40.8 -12.3 90 88 A R H X S+ 0 0 112 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.935 114.7 42.9 -64.0 -48.4 -35.6 38.1 -14.9 91 89 A M H <>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 -2,-0.2 0.917 116.9 47.1 -66.4 -42.7 -33.8 35.3 -13.1 92 90 A F H ><5S+ 0 0 6 -4,-2.7 3,-1.2 -5,-0.3 -2,-0.2 0.906 113.2 48.2 -65.3 -42.6 -35.2 36.2 -9.7 93 91 A E H 3<5S+ 0 0 124 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.791 105.2 58.9 -70.4 -28.5 -38.7 36.6 -11.0 94 92 A D T 3<5S- 0 0 65 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.438 116.5-119.3 -75.4 -2.5 -38.4 33.2 -12.8 95 93 A D T < 5 + 0 0 105 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.733 58.2 156.7 68.7 25.3 -37.7 31.8 -9.3 96 94 A K < - 0 0 37 -5,-2.1 -1,-0.2 1,-0.1 -30,-0.2 -0.504 58.3 -83.5 -72.4 149.3 -34.2 30.5 -10.2 97 95 A P - 0 0 14 0, 0.0 -30,-2.5 0, 0.0 2,-0.4 -0.368 52.1-172.2 -56.6 129.1 -31.9 30.2 -7.2 98 96 A V E -de 67 147A 0 48,-2.9 50,-2.4 -32,-0.2 2,-0.4 -0.990 5.7-166.2-128.1 124.0 -30.4 33.5 -6.3 99 97 A A E +de 68 148A 0 -32,-2.9 -30,-3.4 -2,-0.4 2,-0.3 -0.916 10.3 176.2-112.1 132.7 -27.6 33.9 -3.7 100 98 A S E -de 69 149A 0 48,-2.3 50,-1.9 -2,-0.4 2,-0.3 -0.965 5.9-177.7-132.3 152.1 -26.5 37.3 -2.3 101 99 A I E > - e 0 150A 0 -32,-1.6 3,-2.6 -2,-0.3 50,-0.3 -0.993 55.2 -25.2-147.1 143.5 -24.0 38.4 0.3 102 100 A C T 3 S- 0 0 14 48,-1.2 20,-1.4 -2,-0.3 50,-0.1 -0.311 133.6 -1.4 63.7-120.6 -23.0 41.8 1.9 103 101 A H T > S+ 0 0 46 1,-0.2 3,-2.5 18,-0.2 4,-0.4 0.500 106.2 101.9 -80.9 -4.5 -23.7 44.6 -0.7 104 102 A G T X> + 0 0 0 -3,-2.6 3,-1.9 1,-0.3 4,-0.7 0.859 69.3 66.5 -48.2 -43.7 -25.0 42.1 -3.3 105 103 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.619 78.8 79.8 -55.9 -12.2 -28.6 43.0 -2.5 106 104 A Q H <> S+ 0 0 6 -3,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.881 94.3 50.5 -61.2 -31.1 -28.1 46.6 -3.8 107 105 A I H <> S+ 0 0 1 -3,-1.9 4,-1.5 -4,-0.4 -1,-0.2 0.910 109.5 49.5 -70.5 -42.4 -28.5 44.9 -7.3 108 106 A L H <>S+ 0 0 0 -4,-0.7 5,-1.3 2,-0.2 4,-0.4 0.853 108.9 53.4 -58.7 -41.5 -31.7 43.2 -6.1 109 107 A I H ><5S+ 0 0 30 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.949 110.3 46.2 -56.6 -50.8 -33.0 46.6 -4.8 110 108 A S H 3<5S+ 0 0 37 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.792 106.6 59.9 -66.3 -25.5 -32.4 48.1 -8.2 111 109 A A T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.525 103.0-133.3 -80.7 -8.6 -34.1 45.1 -9.8 112 110 A K T < 5S+ 0 0 165 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.870 70.8 117.9 59.3 45.4 -37.3 45.9 -7.9 113 111 A V < + 0 0 15 -5,-1.3 -4,-0.1 1,-0.1 -1,-0.1 0.351 47.2 82.9-117.9 0.7 -37.9 42.3 -6.8 114 112 A L > + 0 0 2 -6,-0.4 3,-2.4 18,-0.2 2,-0.2 0.554 50.9 121.2 -91.8 -8.3 -37.7 42.6 -3.0 115 113 A K T 3 S+ 0 0 183 1,-0.3 19,-0.2 19,-0.1 18,-0.2 -0.375 90.7 5.0 -61.2 121.8 -41.2 43.8 -2.0 116 114 A G T 3 S+ 0 0 70 17,-2.5 -1,-0.3 1,-0.3 18,-0.2 0.470 106.9 121.2 84.9 2.9 -42.7 41.2 0.4 117 115 A R < - 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0 0 46 -11,-0.4 -29,-0.1 1,-0.3 -50,-0.1 0.859 67.1 -12.5-103.1 -46.7 -0.6 23.7 -5.8 320 150 B H S > S- 0 0 81 -12,-0.2 3,-2.5 -50,-0.1 -1,-0.3 -0.907 79.0 -76.1-158.1 166.8 -2.3 27.1 -5.8 321 151 B P G > S+ 0 0 34 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.730 119.5 68.4 -49.4 -28.2 -5.7 29.0 -5.2 322 152 B G G 3 S+ 0 0 38 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.746 98.0 54.7 -62.7 -20.8 -6.9 27.9 -8.7 323 153 B D G <> S+ 0 0 3 -3,-2.5 4,-2.9 1,-0.2 3,-0.4 0.440 74.7 105.3 -91.0 -2.3 -7.0 24.3 -7.3 324 154 B L H <> S+ 0 0 0 -3,-1.4 4,-2.4 1,-0.2 5,-0.4 0.869 76.3 52.7 -50.6 -49.7 -9.2 25.1 -4.2 325 155 B Y H > S+ 0 0 31 -3,-0.3 4,-1.6 -4,-0.3 -1,-0.2 0.915 117.6 37.9 -52.8 -48.6 -12.4 23.5 -5.6 326 156 B A H > S+ 0 0 0 -3,-0.4 4,-2.2 -4,-0.2 5,-0.2 0.874 112.4 59.2 -71.3 -40.0 -10.6 20.2 -6.4 327 157 B W H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.953 114.2 33.8 -53.6 -57.3 -8.5 20.3 -3.2 328 158 B M H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.806 109.7 66.5 -75.2 -27.2 -11.4 20.4 -0.8 329 159 B R H X S+ 0 0 65 -4,-1.6 4,-0.8 -5,-0.4 -1,-0.2 0.948 111.6 35.7 -52.5 -48.7 -13.5 18.2 -3.0 330 160 B E H X S+ 0 0 38 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.881 117.5 51.8 -73.7 -41.2 -11.0 15.4 -2.3 331 161 B F H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 3,-0.4 0.914 104.3 55.4 -63.7 -44.9 -10.3 16.3 1.3 332 162 B V H X S+ 0 0 10 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.843 103.8 57.5 -56.1 -32.4 -13.9 16.4 2.4 333 163 B K H < S+ 0 0 124 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.883 103.7 51.8 -64.4 -40.7 -14.3 12.8 1.1 334 164 B L H < S+ 0 0 59 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.780 112.5 44.9 -66.9 -30.1 -11.5 11.7 3.4 335 165 B L H < 0 0 0 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.685 360.0 360.0 -81.8 -23.2 -13.3 13.4 6.3 336 166 B H < 0 0 180 -4,-1.3 -3,-0.3 -5,-0.2 -2,-0.1 0.242 360.0 360.0 115.8 360.0 -16.7 11.8 5.1