==== 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 01-DEC-03 1VH2 . COMPND 2 MOLECULE: S-RIBOSYLHOMOCYSTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR STRUCTURAL GENOMIX . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.7 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 . 15 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 7 A V 0 0 141 0, 0.0 20,-2.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -16.4 30.4 -26.7 20.3 2 8 A E + 0 0 78 1,-0.3 2,-0.1 18,-0.3 20,-0.1 0.617 360.0 15.7 -82.4 -12.3 27.3 -25.3 21.9 3 9 A S S S- 0 0 91 17,-0.1 -1,-0.3 18,-0.1 17,-0.2 -0.580 83.7-136.1-163.3 91.8 28.2 -21.7 20.9 4 10 A F - 0 0 69 15,-2.2 2,-2.2 -3,-0.3 144,-0.1 -0.197 23.6-117.7 -53.0 136.3 30.9 -21.2 18.2 5 11 A D - 0 0 61 145,-0.1 145,-1.8 142,-0.1 -1,-0.1 -0.466 44.6-163.5 -78.3 72.5 33.4 -18.5 19.0 6 12 A L B -A 149 0A 6 -2,-2.2 2,-1.0 143,-0.2 143,-0.2 -0.275 23.1-136.8 -66.7 137.3 32.5 -16.3 16.1 7 13 A D > - 0 0 25 141,-3.1 3,-1.5 1,-0.2 4,-0.3 -0.816 18.7-164.4 -90.7 103.0 34.7 -13.4 14.7 8 14 A H T 3 S+ 0 0 85 -2,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.629 81.2 64.9 -64.8 -16.0 31.9 -10.8 14.2 9 15 A T T 3 S+ 0 0 107 1,-0.2 -1,-0.3 30,-0.1 -2,-0.0 0.607 98.6 55.1 -82.8 -11.1 34.2 -8.7 12.0 10 16 A K S < S+ 0 0 110 -3,-1.5 -1,-0.2 138,-0.2 -2,-0.2 0.491 85.9 93.9-102.8 -2.7 34.3 -11.3 9.3 11 17 A V - 0 0 0 -3,-0.4 2,-0.5 -4,-0.3 136,-0.1 -0.403 62.4-139.5 -88.6 166.1 30.7 -12.1 8.5 12 18 A K - 0 0 139 -2,-0.1 131,-0.1 27,-0.1 27,-0.1 -0.851 36.0-116.6-129.2 94.8 28.5 -10.5 5.8 13 19 A A S S+ 0 0 17 -2,-0.5 26,-0.1 2,-0.1 24,-0.1 -0.363 84.8 53.6 -72.9 155.4 25.0 -9.7 6.8 14 20 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 129,-0.2 0.575 84.2 123.6 -83.8 155.9 22.2 -10.5 6.2 15 21 A Y E -B 36 0B 0 21,-1.7 21,-1.5 127,-0.2 2,-0.4 -0.971 55.9-120.8-161.8 173.7 22.6 -14.2 6.7 16 22 A V E +Bc 35 144B 0 127,-1.9 129,-2.6 -2,-0.3 2,-0.3 -0.977 36.8 174.6-121.9 136.5 21.6 -17.4 8.4 17 23 A R E -B 34 0B 15 17,-1.3 17,-3.0 -2,-0.4 2,-0.4 -0.979 37.3-118.6-150.0 132.9 24.3 -19.3 10.3 18 24 A L E -B 33 0B 23 -2,-0.3 15,-0.3 127,-0.3 3,-0.1 -0.588 31.0-175.6 -67.9 121.7 24.5 -22.3 12.6 19 25 A A E - 0 0 15 13,-3.2 -15,-2.2 -2,-0.4 2,-0.3 0.598 55.6 -40.7 -97.8 -14.4 25.6 -20.8 15.9 20 26 A G E -B 32 0B 0 12,-1.0 12,-3.2 -17,-0.2 2,-0.4 -0.888 48.3-125.5 165.6 168.1 26.0 -24.0 17.9 21 27 A V E -B 31 0B 22 -20,-2.3 2,-0.5 -2,-0.3 10,-0.2 -0.997 12.5-162.9-140.5 131.3 24.4 -27.4 18.7 22 28 A K E -B 30 0B 92 8,-2.2 8,-2.7 -2,-0.4 2,-0.4 -0.970 14.7-143.7-116.1 131.0 23.5 -28.9 22.0 23 29 A T E -B 29 0B 90 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.788 14.8-137.0 -94.5 133.8 22.9 -32.6 22.3 24 30 A T > - 0 0 37 4,-2.6 3,-2.2 -2,-0.4 -1,-0.0 -0.465 29.6 -99.8 -84.7 162.5 20.2 -33.7 24.7 25 31 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.795 123.6 48.8 -50.2 -35.6 20.6 -36.7 27.0 26 32 A K T 3 S- 0 0 190 2,-0.0 -3,-0.0 0, 0.0 -2,-0.0 0.490 126.0 -98.4 -85.2 -6.6 18.6 -39.1 24.7 27 33 A G S < S+ 0 0 50 -3,-2.2 2,-0.1 1,-0.3 -4,-0.0 0.631 75.8 137.0 102.1 12.6 20.7 -38.0 21.7 28 34 A D - 0 0 98 59,-0.0 -4,-2.6 58,-0.0 2,-0.4 -0.481 47.4-127.2 -85.0 164.2 18.5 -35.4 20.0 29 35 A Q E -B 23 0B 71 -6,-0.2 57,-3.2 -2,-0.1 2,-0.7 -0.934 10.7-157.4-118.0 139.7 20.1 -32.2 18.7 30 36 A I E -BD 22 85B 49 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.5 -0.950 18.8-156.0-111.1 108.0 19.1 -28.6 19.4 31 37 A S E -BD 21 84B 0 53,-3.0 53,-2.7 -2,-0.7 2,-0.4 -0.779 2.8-150.8 -90.7 128.0 20.5 -26.5 16.5 32 38 A K E -BD 20 83B 45 -12,-3.2 -13,-3.2 -2,-0.5 -12,-1.0 -0.822 12.2-159.0 -98.9 135.1 21.0 -22.8 17.3 33 39 A Y E -BD 18 82B 2 49,-2.6 49,-1.9 -2,-0.4 2,-0.8 -0.950 16.8-148.7-124.6 138.5 20.8 -20.3 14.5 34 40 A D E -BD 17 81B 6 -17,-3.0 -17,-1.3 -2,-0.4 2,-1.1 -0.881 14.5-169.5 -99.6 105.1 22.1 -16.7 14.1 35 41 A L E -BD 16 80B 0 45,-2.6 45,-2.4 -2,-0.8 2,-0.6 -0.782 15.3-164.9-100.6 87.0 19.5 -14.9 11.9 36 42 A R E +BD 15 79B 8 -21,-1.5 -21,-1.7 -2,-1.1 43,-0.3 -0.667 25.4 167.3 -86.6 114.5 21.5 -11.8 11.2 37 43 A F + 0 0 1 41,-1.8 2,-0.3 -2,-0.6 42,-0.2 0.914 67.6 35.9 -84.4 -52.7 19.6 -8.7 9.8 38 44 A L S S- 0 0 36 40,-2.8 -1,-0.1 -25,-0.1 -23,-0.1 -0.716 89.5 -98.7-108.6 157.1 22.3 -6.1 10.2 39 45 A Q > - 0 0 58 -2,-0.3 3,-2.0 -26,-0.1 4,-0.3 -0.530 56.5 -95.2 -70.0 128.9 26.1 -6.0 10.0 40 46 A P T 3 S- 0 0 13 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.153 104.2 -0.2 -47.5 129.3 27.6 -6.3 13.5 41 47 A N T 3 S+ 0 0 150 2,-0.2 3,-0.1 35,-0.2 -2,-0.1 0.649 105.4 98.7 64.2 19.7 28.4 -2.9 14.9 42 48 A Q S < S- 0 0 157 -3,-2.0 2,-0.2 1,-0.6 -1,-0.1 0.270 100.5 -41.5-114.5 7.3 27.2 -0.9 11.8 43 49 A G - 0 0 41 -4,-0.3 -1,-0.6 -5,-0.1 2,-0.3 -0.726 59.0-122.8 146.3 164.0 23.8 -0.1 13.3 44 50 A A - 0 0 50 -2,-0.2 2,-0.3 -3,-0.1 34,-0.2 -0.946 24.1-104.0-138.5 158.5 21.0 -1.7 15.3 45 51 A I - 0 0 0 32,-3.1 34,-0.1 -2,-0.3 5,-0.1 -0.638 47.0-106.6 -80.8 135.0 17.3 -2.4 15.1 46 52 A D > - 0 0 89 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.282 28.5-117.3 -58.5 145.8 15.2 -0.1 17.2 47 53 A P H > S+ 0 0 54 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.877 113.4 49.6 -54.9 -43.4 13.8 -1.8 20.3 48 54 A A H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 78,-0.8 0.924 112.3 48.9 -63.5 -43.6 10.1 -1.4 19.3 49 55 A A H > S+ 0 0 0 76,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 111.9 46.4 -65.0 -40.1 10.8 -2.8 15.9 50 56 A I H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.844 110.1 55.5 -72.9 -28.2 12.7 -5.8 17.1 51 57 A H H X S+ 0 0 26 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.931 110.4 45.1 -65.8 -45.5 9.9 -6.4 19.6 52 58 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.914 110.7 53.5 -64.4 -41.3 7.4 -6.4 16.7 53 59 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.894 106.2 54.3 -59.9 -38.8 9.8 -8.7 14.7 54 60 A E H X S+ 0 0 64 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.951 109.8 46.8 -59.4 -48.8 9.8 -11.0 17.7 55 61 A H H X S+ 0 0 34 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.909 116.5 42.9 -59.1 -46.3 6.0 -11.2 17.7 56 62 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.898 113.6 48.9 -69.0 -43.7 5.7 -11.7 13.9 57 63 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.5 0.742 95.2 72.3 -72.2 -23.9 8.5 -14.3 13.5 58 64 A A H X S+ 0 0 31 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.2 0.960 114.7 26.4 -54.5 -48.2 7.2 -16.4 16.4 59 65 A G H X S+ 0 0 34 -4,-0.8 4,-1.6 -3,-0.3 -2,-0.2 0.914 120.8 52.3 -82.4 -45.5 4.4 -17.5 14.1 60 66 A Y H X S+ 0 0 50 -4,-2.4 4,-0.8 2,-0.2 -3,-0.2 0.851 108.9 50.6 -63.2 -34.5 5.8 -17.0 10.6 61 67 A M H >X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-1.0 0.937 110.2 50.6 -68.0 -42.0 8.9 -19.1 11.3 62 68 A R H 3< S+ 0 0 105 -4,-0.9 -2,-0.2 -5,-0.5 -1,-0.2 0.804 103.1 60.9 -64.6 -27.7 6.7 -21.9 12.6 63 69 A D H 3< S+ 0 0 111 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.784 119.0 27.7 -67.9 -25.0 4.6 -21.6 9.4 64 70 A H H << S+ 0 0 79 -3,-1.0 2,-0.3 -4,-0.8 -2,-0.2 0.434 121.7 45.6-117.7 0.6 7.6 -22.6 7.4 65 71 A L < - 0 0 32 -4,-1.3 3,-0.5 31,-0.1 -1,-0.2 -0.975 65.3-142.0-151.1 131.1 9.8 -24.7 9.8 66 72 A E S S+ 0 0 176 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.531 79.4 34.6 -89.3 157.9 9.2 -27.6 12.2 67 73 A G S S+ 0 0 34 1,-0.2 18,-2.8 -2,-0.2 -1,-0.2 0.569 72.2 164.3 79.3 10.5 10.8 -28.1 15.6 68 74 A V E -E 84 0B 21 -3,-0.5 16,-0.2 16,-0.2 -1,-0.2 -0.410 21.4-173.7 -64.6 127.7 11.1 -24.4 16.4 69 75 A V E - 0 0 68 14,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.930 63.4 -51.5 -83.3 -55.9 11.8 -23.8 20.1 70 76 A D E -E 83 0B 91 13,-0.9 13,-1.2 2,-0.0 2,-0.5 -0.951 41.6-122.6-174.0 160.0 11.4 -20.0 20.0 71 77 A V E -E 82 0B 6 -2,-0.3 11,-0.2 11,-0.2 -13,-0.1 -0.977 35.8-177.5-115.2 120.8 12.6 -17.0 18.1 72 78 A S E -E 81 0B 49 9,-3.6 9,-3.6 -2,-0.5 2,-0.2 -0.890 29.8-113.2-123.1 151.5 14.3 -14.3 20.3 73 79 A P E -E 80 0B 45 0, 0.0 2,-0.2 0, 0.0 7,-0.2 -0.545 37.6-121.0 -75.1 145.2 15.7 -10.9 19.7 74 80 A M > - 0 0 26 5,-2.3 3,-1.5 -2,-0.2 5,-0.2 -0.629 15.9-123.5 -83.2 150.3 19.5 -10.8 20.2 75 81 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.2 5,-0.0 0.797 113.8 58.3 -63.1 -26.8 20.7 -8.4 22.9 76 82 A C T 3 S- 0 0 70 1,-0.0 -1,-0.3 3,-0.0 -35,-0.2 0.585 101.5-140.7 -79.1 -9.3 22.9 -6.7 20.3 77 83 A R S < S+ 0 0 92 -3,-1.5 -32,-3.1 2,-0.2 -2,-0.1 0.713 72.3 109.5 57.4 28.3 19.8 -6.0 18.2 78 84 A T S S- 0 0 7 -34,-0.2 -40,-2.8 1,-0.2 -41,-1.8 0.385 89.1 -17.8-106.4 -1.0 21.3 -6.8 14.8 79 85 A G E S-D 36 0B 0 -43,-0.3 -5,-2.3 -42,-0.2 2,-0.3 -0.981 71.2 -83.2-177.0-172.8 19.3 -10.0 14.5 80 86 A M E -DE 35 73B 0 -45,-2.4 -45,-2.6 -2,-0.3 2,-0.4 -0.829 26.7-142.4-116.0 153.1 17.2 -12.8 16.0 81 87 A Y E -DE 34 72B 88 -9,-3.6 -9,-3.6 -2,-0.3 2,-0.4 -0.927 20.6-178.8-114.7 138.8 18.3 -16.0 17.7 82 88 A M E -DE 33 71B 0 -49,-1.9 -49,-2.6 -2,-0.4 2,-0.4 -0.975 15.7-156.5-144.8 127.7 16.4 -19.2 17.2 83 89 A A E -DE 32 70B 10 -13,-1.2 -14,-3.0 -2,-0.4 -13,-0.9 -0.832 16.6-171.6-100.9 140.8 16.8 -22.7 18.6 84 90 A V E -DE 31 68B 8 -53,-2.7 -53,-3.0 -2,-0.4 2,-0.7 -0.988 25.4-124.7-132.8 140.2 15.4 -25.6 16.6 85 91 A I E S+D 30 0B 95 -18,-2.8 -55,-0.2 -2,-0.4 2,-0.2 -0.765 76.1 61.2 -86.2 118.5 15.1 -29.3 17.5 86 92 A G S S- 0 0 30 -57,-3.2 -55,-0.3 -2,-0.7 -2,-0.2 -0.713 92.2 -59.8 146.8 163.1 16.8 -31.3 14.8 87 93 A E S S- 0 0 152 -2,-0.2 -56,-0.1 1,-0.2 -59,-0.0 -0.296 76.4 -73.2 -67.4 159.3 20.1 -31.8 13.1 88 94 A P + 0 0 49 0, 0.0 -1,-0.2 0, 0.0 -67,-0.0 -0.253 54.8 166.0 -56.2 135.7 21.7 -28.7 11.5 89 95 A D > + 0 0 87 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.477 4.3 166.7-151.4 71.6 20.1 -27.6 8.2 90 96 A E H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.849 79.4 52.4 -58.5 -38.1 21.3 -24.1 7.4 91 97 A Q H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.953 112.5 44.4 -64.2 -49.7 19.9 -24.3 3.8 92 98 A G H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.906 113.6 50.5 -61.6 -41.4 16.4 -25.3 5.0 93 99 A V H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.899 108.1 53.4 -64.9 -37.1 16.4 -22.7 7.8 94 100 A M H X S+ 0 0 17 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.923 109.0 48.6 -63.0 -43.7 17.4 -20.0 5.3 95 101 A K H X S+ 0 0 115 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.883 112.9 47.1 -64.4 -39.0 14.5 -20.9 3.0 96 102 A A H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.930 113.1 49.5 -66.1 -44.8 12.1 -20.8 6.0 97 103 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.909 109.9 51.3 -60.1 -44.4 13.5 -17.5 7.1 98 104 A E H X S+ 0 0 59 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.905 112.9 45.4 -61.0 -41.4 13.2 -16.1 3.6 99 105 A A H X S+ 0 0 25 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.903 111.9 51.0 -68.7 -41.9 9.6 -17.1 3.5 100 106 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.840 108.3 54.0 -64.5 -32.8 8.8 -15.8 7.0 101 107 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.839 105.8 51.2 -72.2 -31.3 10.4 -12.5 6.0 102 108 A K H X S+ 0 0 118 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.927 110.7 49.6 -69.4 -41.1 8.1 -12.2 2.9 103 109 A D H < S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.910 113.2 47.7 -59.4 -42.0 5.2 -12.8 5.2 104 110 A T H >< S+ 0 0 0 -4,-2.2 3,-1.4 2,-0.2 -2,-0.2 0.924 108.9 51.2 -66.4 -46.3 6.6 -10.1 7.6 105 111 A A H 3< S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.862 115.8 43.9 -60.1 -35.3 7.2 -7.6 4.8 106 112 A G T 3< S+ 0 0 47 -4,-2.0 2,-1.3 -5,-0.2 -1,-0.3 0.355 79.4 124.1 -92.4 7.3 3.6 -8.1 3.7 107 113 A H < + 0 0 17 -3,-1.4 24,-0.1 1,-0.2 -3,-0.1 -0.525 21.3 156.1 -72.9 96.8 2.0 -8.1 7.2 108 114 A D + 0 0 109 -2,-1.3 -1,-0.2 2,-0.0 3,-0.1 0.345 46.3 87.1-103.5 5.5 -0.6 -5.3 6.8 109 115 A Q S S- 0 0 117 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 -0.434 94.9 -70.4 -95.7 173.6 -2.8 -6.5 9.6 110 116 A P - 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.207 59.3 -94.6 -61.3 158.5 -2.5 -5.6 13.3 111 117 A I > - 0 0 30 -3,-0.1 3,-0.9 1,-0.1 2,-0.1 -0.562 45.7-115.7 -73.3 133.2 0.5 -7.1 15.2 112 118 A P T 3 S+ 0 0 67 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.398 89.9 16.0 -73.7 150.2 -0.5 -10.3 17.0 113 119 A G T 3 S+ 0 0 21 1,-0.2 2,-1.1 -2,-0.1 -2,-0.0 0.704 78.5 146.5 67.3 25.0 -0.5 -10.5 20.8 114 120 A V < + 0 0 52 -3,-0.9 2,-0.3 4,-0.1 -1,-0.2 -0.736 34.6 90.4 -99.0 92.7 -0.3 -6.8 21.4 115 121 A S S > S- 0 0 28 -2,-1.1 4,-2.2 -3,-0.1 3,-0.2 -0.971 87.0 -94.3-168.9 165.3 -2.3 -6.1 24.6 116 122 A E T 4 S+ 0 0 154 -2,-0.3 -1,-0.1 1,-0.2 7,-0.0 0.803 123.6 49.5 -52.4 -38.7 -2.1 -5.8 28.4 117 123 A L T 4 S+ 0 0 161 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.853 121.1 27.2 -74.3 -39.7 -3.1 -9.4 28.5 118 124 A E T 4 S+ 0 0 133 -3,-0.2 2,-0.4 1,-0.1 -2,-0.2 0.482 115.4 54.0-106.2 -6.3 -0.6 -11.0 26.0 119 125 A C >< - 0 0 16 -4,-2.2 3,-0.6 1,-0.1 -1,-0.1 -0.992 59.8-146.2-138.4 140.1 2.4 -8.7 26.1 120 126 A G T 3 S+ 0 0 91 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.545 103.5 19.6 -77.4 -9.0 4.7 -7.3 28.7 121 127 A N T > + 0 0 76 -6,-0.1 3,-2.2 3,-0.1 -1,-0.2 -0.319 70.0 164.4-155.5 60.7 5.3 -4.0 26.9 122 128 A Y T < S+ 0 0 80 -3,-0.6 3,-0.1 1,-0.3 -2,-0.1 0.698 73.2 63.3 -58.4 -20.9 2.4 -3.6 24.5 123 129 A R T 3 S+ 0 0 192 1,-0.2 2,-1.0 -3,-0.0 -1,-0.3 0.655 87.9 77.2 -78.0 -15.6 3.1 0.1 24.0 124 130 A D < + 0 0 52 -3,-2.2 2,-0.3 -77,-0.1 -1,-0.2 -0.592 68.4 115.9-100.9 75.2 6.5 -0.6 22.5 125 131 A H - 0 0 35 -2,-1.0 -76,-0.2 -3,-0.1 2,-0.2 -0.951 36.4-174.5-137.6 157.2 5.9 -1.8 18.9 126 132 A D > + 0 0 59 -78,-0.8 4,-1.9 -2,-0.3 5,-0.1 -0.607 5.5 174.8-155.2 88.7 6.6 -0.6 15.3 127 133 A L H > S+ 0 0 40 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.904 82.1 54.4 -60.5 -47.7 5.0 -2.5 12.5 128 134 A A H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 112.4 42.8 -54.3 -50.0 6.2 -0.2 9.7 129 135 A A H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 113.4 53.3 -66.1 -35.2 9.9 -0.4 10.8 130 136 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.944 110.9 46.5 -63.4 -48.3 9.5 -4.2 11.3 131 137 A R H X S+ 0 0 60 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.896 111.8 50.5 -61.3 -42.4 8.1 -4.6 7.8 132 138 A Q H X S+ 0 0 75 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.870 106.1 55.0 -66.8 -36.0 10.8 -2.4 6.3 133 139 A H H X S+ 0 0 34 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.898 109.3 48.5 -63.0 -39.1 13.6 -4.4 8.0 134 140 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.940 111.7 49.3 -63.8 -46.0 12.2 -7.5 6.4 135 141 A R H X S+ 0 0 87 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.917 108.3 54.0 -58.9 -44.3 12.1 -5.8 3.0 136 142 A D H X S+ 0 0 54 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.872 108.2 49.5 -59.2 -40.1 15.7 -4.6 3.5 137 143 A V H X S+ 0 0 3 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.935 112.0 47.0 -66.9 -44.3 16.9 -8.2 4.1 138 144 A L H < S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.888 112.0 51.7 -63.8 -38.1 15.2 -9.6 1.1 139 145 A D H < S+ 0 0 122 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.913 114.7 41.8 -63.7 -45.1 16.5 -6.7 -1.1 140 146 A Q H < S- 0 0 121 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.884 114.1-124.7 -70.0 -41.4 20.1 -7.3 0.1 141 147 A G < - 0 0 26 -4,-2.9 -3,-0.1 -5,-0.2 -2,-0.1 0.541 11.4-111.9 98.5 120.5 19.8 -11.1 -0.1 142 148 A L + 0 0 32 -4,-0.1 2,-0.3 -48,-0.1 -127,-0.2 -0.312 32.9 170.7 -77.6 160.1 20.4 -14.0 2.3 143 149 A K - 0 0 76 -129,-0.2 -127,-1.9 -131,-0.1 2,-0.6 -0.948 43.7 -94.0-158.9 161.8 23.2 -16.6 2.2 144 150 A V B -c 16 0B 56 -2,-0.3 2,-0.4 -129,-0.2 -127,-0.2 -0.798 44.1-145.7 -86.1 121.5 24.4 -19.3 4.5 145 151 A Q - 0 0 18 -129,-2.6 -127,-0.3 -2,-0.6 2,-0.2 -0.760 4.5-136.4 -92.2 128.6 27.3 -17.7 6.5 146 152 A E - 0 0 138 -2,-0.4 2,-0.7 -129,-0.1 -129,-0.0 -0.532 26.1-111.8 -80.9 150.2 30.2 -19.8 7.5 147 153 A T - 0 0 32 -2,-0.2 2,-0.7 -129,-0.1 -142,-0.1 -0.749 26.2-162.0 -85.9 116.2 31.5 -19.3 11.0 148 154 A I - 0 0 49 -2,-0.7 -141,-3.1 -141,-0.2 -138,-0.2 -0.894 20.4-142.9 -96.1 113.1 35.0 -17.7 11.0 149 155 A L B -A 6 0A 95 -2,-0.7 2,-0.4 -143,-0.2 -143,-0.2 -0.390 15.3-106.2 -78.7 156.9 36.4 -18.4 14.5 150 156 A L - 0 0 59 -145,-1.8 -145,-0.1 1,-0.1 -1,-0.1 -0.678 21.9-142.2 -79.2 130.6 38.6 -16.1 16.6 151 157 A E 0 0 131 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.847 360.0 360.0 -64.7 -33.2 42.2 -17.4 16.6 152 158 A R 0 0 224 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.293 360.0 360.0 56.5 360.0 42.6 -16.4 20.2