==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-FEB-12 3VOV . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.NAKAMURA,Y.KASHIMA,S.MINE,T.OKU,K.UEGAKI . 1180 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 861 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 62 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 414 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.7 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 4 0 0 0 8 0 2 7 3 2 0 2 0 0 4 0 0 0 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 8 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 . 15 7 0 4 0 8 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 . 1 2 0 4 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 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 72 0, 0.0 2,-0.4 0, 0.0 57,-0.1 0.000 360.0 360.0 360.0 150.0 18.8 22.7 44.6 2 2 A K + 0 0 77 55,-0.2 57,-2.7 18,-0.1 58,-0.3 -0.964 360.0 167.8-126.8 140.1 18.1 19.4 46.4 3 3 A V E -A 18 0A 0 15,-2.4 15,-2.7 -2,-0.4 2,-0.5 -0.847 31.3-114.9-136.7 174.4 15.8 16.4 45.7 4 4 A V E -Ab 17 61A 0 56,-2.7 58,-2.8 -2,-0.3 2,-0.4 -0.975 22.0-156.8-115.4 128.3 15.3 12.9 46.9 5 5 A G E -Ab 16 62A 0 11,-2.9 11,-1.8 -2,-0.5 2,-0.4 -0.858 7.1-169.6 -95.7 138.3 16.0 9.8 44.7 6 6 A L E -Ab 15 63A 0 56,-3.1 58,-3.0 -2,-0.4 2,-0.6 -0.998 6.5-165.5-123.9 131.9 14.3 6.5 45.4 7 7 A D E -Ab 14 64A 34 7,-3.0 7,-1.9 -2,-0.4 2,-1.0 -0.941 7.4-161.8-116.8 106.2 15.3 3.2 43.6 8 8 A L E +A 13 0A 1 56,-2.7 5,-0.2 -2,-0.6 2,-0.2 -0.782 19.7 174.6 -88.5 98.8 12.6 0.5 44.2 9 9 A G - 0 0 20 3,-2.0 -2,-0.0 -2,-1.0 55,-0.0 -0.444 44.5-107.1 -95.0 178.3 14.3 -2.8 43.4 10 10 A G S S+ 0 0 23 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.738 117.6 21.5 -78.1 -25.6 12.9 -6.3 43.8 11 11 A T S S+ 0 0 104 1,-0.3 20,-3.1 19,-0.1 2,-0.3 0.739 129.5 21.2-109.9 -42.4 15.1 -7.1 46.8 12 12 A K E - C 0 30A 113 18,-0.3 -3,-2.0 20,-0.0 2,-0.4 -0.923 57.1-139.9-135.0 156.0 16.0 -3.7 48.2 13 13 A I E -AC 8 29A 0 16,-3.0 16,-2.3 -2,-0.3 2,-0.4 -0.926 20.3-165.1-104.6 135.7 15.0 -0.0 48.2 14 14 A A E +AC 7 28A 8 -7,-1.9 -7,-3.0 -2,-0.4 2,-0.3 -0.960 8.4 178.9-119.9 144.1 17.6 2.7 48.1 15 15 A A E +AC 6 27A 0 12,-2.4 12,-3.1 -2,-0.4 2,-0.3 -0.970 5.9 159.2-140.3 153.9 17.1 6.4 48.9 16 16 A G E -A 5 0A 0 -11,-1.8 -11,-2.9 -2,-0.3 2,-0.3 -0.906 39.5-113.8-171.9 146.2 19.3 9.4 49.0 17 17 A V E -A 4 0A 0 33,-0.3 7,-2.8 -2,-0.3 8,-1.0 -0.675 36.6-162.5 -80.5 138.7 19.3 13.2 48.9 18 18 A F E -AD 3 23A 0 -15,-2.7 -15,-2.4 -2,-0.3 5,-0.2 -0.980 18.9-168.1-130.2 136.1 20.9 14.5 45.7 19 19 A D - 0 0 36 3,-2.1 4,-0.1 -2,-0.4 -1,-0.1 0.264 63.4 -83.2-110.3 10.1 22.2 17.9 45.0 20 20 A G S S+ 0 0 9 2,-0.2 3,-0.1 -17,-0.1 -18,-0.1 -0.009 124.6 34.1 111.6 -27.4 22.8 17.8 41.3 21 21 A K S S+ 0 0 144 1,-0.4 2,-0.3 95,-0.0 -3,-0.0 0.635 118.5 17.5-123.4 -34.8 26.2 16.2 41.4 22 22 A R S S- 0 0 153 263,-0.0 -3,-2.1 0, 0.0 2,-0.5 -0.944 71.6-102.6-146.0 154.6 26.3 13.8 44.4 23 23 A L B -D 18 0A 35 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.736 23.5-167.9 -75.8 120.4 24.3 11.8 46.9 24 24 A L S S+ 0 0 70 -7,-2.8 2,-0.3 -2,-0.5 -6,-0.1 0.667 77.3 11.2 -85.5 -20.3 24.4 13.6 50.2 25 25 A S - 0 0 13 -8,-1.0 2,-0.3 -3,-0.0 -1,-0.2 -0.952 63.7-158.6-144.3 168.0 23.0 10.5 51.9 26 26 A K - 0 0 86 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.913 10.0-179.4-150.9 120.7 22.3 6.9 51.0 27 27 A V E -C 15 0A 3 -12,-3.1 -12,-2.4 -2,-0.3 2,-0.4 -0.983 3.3-172.6-121.9 130.7 19.8 4.6 52.8 28 28 A V E +C 14 0A 71 -2,-0.4 -14,-0.2 -14,-0.2 -2,-0.0 -0.992 11.8 162.4-125.4 130.5 19.2 0.9 51.8 29 29 A V E -C 13 0A 37 -16,-2.3 -16,-3.0 -2,-0.4 2,-0.1 -0.913 44.6 -90.4-134.6 160.3 16.4 -1.2 53.3 30 30 A P E -C 12 0A 104 0, 0.0 -18,-0.3 0, 0.0 -19,-0.1 -0.396 43.9-108.7 -69.1 153.2 14.9 -4.4 52.1 31 31 A T - 0 0 8 -20,-3.1 2,-0.2 -2,-0.1 8,-0.1 -0.722 36.1-113.9 -80.9 123.7 11.9 -4.2 49.8 32 32 A P - 0 0 18 0, 0.0 3,-0.4 0, 0.0 7,-0.1 -0.431 22.1-167.2 -56.5 122.1 8.6 -5.3 51.5 33 33 A K S S+ 0 0 75 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.098 73.2 89.7 -86.6 16.8 7.3 -8.5 50.0 34 34 A E S S- 0 0 119 1,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.381 95.9 -86.9 -99.6 0.6 4.1 -7.7 52.0 35 35 A G > - 0 0 16 -3,-0.4 4,-2.2 1,-0.2 3,-0.4 -0.437 49.7 -53.9 120.3 172.7 2.2 -5.6 49.4 36 36 A G H > S+ 0 0 7 46,-0.8 4,-3.0 1,-0.2 5,-0.2 0.868 122.3 50.7 -51.8 -55.8 1.6 -2.2 47.9 37 37 A E H > S+ 0 0 144 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 114.7 45.4 -57.4 -38.0 0.7 -0.1 51.0 38 38 A R H > S+ 0 0 144 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.825 110.2 53.6 -76.6 -36.8 3.8 -1.4 52.8 39 39 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.983 111.0 47.0 -56.5 -56.2 6.0 -0.8 49.8 40 40 A A H X S+ 0 0 4 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.864 111.7 51.6 -54.3 -41.6 4.8 2.8 49.7 41 41 A E H X S+ 0 0 106 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.897 109.9 48.2 -61.0 -43.4 5.4 3.1 53.5 42 42 A A H X S+ 0 0 22 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.820 111.3 51.8 -69.9 -28.6 8.9 1.9 53.2 43 43 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.963 111.5 45.8 -71.9 -50.4 9.5 4.3 50.3 44 44 A A H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.903 115.5 46.8 -57.1 -44.4 8.2 7.3 52.3 45 45 A E H X S+ 0 0 105 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.845 109.6 52.8 -73.3 -29.4 10.3 6.3 55.4 46 46 A A H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.921 110.6 49.4 -64.0 -43.2 13.5 5.7 53.4 47 47 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.942 111.0 49.4 -58.2 -50.1 13.0 9.2 51.9 48 48 A E H X S+ 0 0 83 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.922 112.6 46.8 -56.6 -45.4 12.5 10.7 55.4 49 49 A R H X S+ 0 0 104 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.929 109.9 52.8 -63.9 -45.6 15.6 8.9 56.7 50 50 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -33,-0.3 0.918 112.3 46.6 -53.6 -45.4 17.7 10.0 53.7 51 51 A E H X>S+ 0 0 10 -4,-2.5 5,-1.6 2,-0.2 4,-1.3 0.883 111.8 50.8 -64.4 -41.2 16.6 13.6 54.4 52 52 A R H <5S+ 0 0 146 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.954 111.9 46.9 -63.5 -46.0 17.4 13.3 58.1 53 53 A E H <5S+ 0 0 98 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.809 116.6 42.8 -67.5 -31.8 20.8 11.9 57.4 54 54 A A H <5S- 0 0 26 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.667 102.5-134.3 -83.1 -17.7 21.7 14.6 54.8 55 55 A G T <5S+ 0 0 68 -4,-1.3 2,-0.3 -3,-0.3 -3,-0.2 0.812 72.3 107.5 64.7 33.4 20.1 17.2 57.1 56 56 A V < - 0 0 39 -5,-1.6 2,-0.4 -6,-0.2 -2,-0.2 -0.999 66.0-135.3-146.4 132.7 18.3 18.5 54.0 57 57 A R - 0 0 170 -2,-0.3 2,-0.2 -3,-0.1 -55,-0.2 -0.787 23.6-131.3 -88.9 133.4 14.7 18.4 52.7 58 58 A G - 0 0 0 -2,-0.4 -55,-0.3 1,-0.1 3,-0.1 -0.605 2.1-149.5 -79.7 143.7 14.2 17.5 49.0 59 59 A E S S+ 0 0 95 -57,-2.7 2,-0.3 -2,-0.2 -56,-0.2 0.568 81.8 11.9 -88.2 -6.2 11.8 19.7 47.0 60 60 A A S S- 0 0 0 -58,-0.3 -56,-2.7 38,-0.2 2,-0.5 -0.982 70.4-127.5-161.1 161.8 10.8 16.7 44.8 61 61 A I E -be 4 100A 0 38,-2.6 40,-3.4 -2,-0.3 2,-0.5 -0.970 10.3-159.3-119.4 127.3 11.1 12.9 44.7 62 62 A G E -be 5 101A 0 -58,-2.8 -56,-3.1 -2,-0.5 2,-0.6 -0.929 12.3-163.4-100.9 127.2 12.3 10.8 41.8 63 63 A L E -be 6 102A 1 38,-2.9 40,-2.5 -2,-0.5 2,-0.4 -0.935 4.3-161.1-117.8 113.9 11.2 7.2 41.9 64 64 A G E -be 7 103A 0 -58,-3.0 -56,-2.7 -2,-0.6 40,-0.2 -0.746 14.6-164.2 -90.0 132.9 12.9 4.5 39.8 65 65 A T E - e 0 104A 1 38,-2.3 40,-2.4 -2,-0.4 2,-0.7 -0.959 27.6-135.5-130.9 141.5 10.8 1.4 39.2 66 66 A P S S+ 0 0 54 0, 0.0 38,-0.1 0, 0.0 -57,-0.0 0.003 86.1 59.1 -89.2 33.6 11.7 -2.0 38.1 67 67 A G S S- 0 0 12 -2,-0.7 2,-0.3 0, 0.0 38,-0.2 -0.924 95.5 -79.7-145.9 172.0 8.7 -2.1 35.8 68 68 A P - 0 0 50 0, 0.0 9,-3.2 0, 0.0 2,-0.2 -0.609 52.7-137.6 -77.2 138.6 7.1 -0.4 32.8 69 69 A L E -F 76 0B 1 81,-0.4 2,-0.6 -2,-0.3 7,-0.2 -0.621 18.7-147.2 -99.0 152.5 5.2 2.8 33.8 70 70 A D E >> -F 75 0B 43 5,-2.5 4,-2.5 -2,-0.2 5,-1.5 -0.963 18.8-171.8-105.4 105.5 1.9 4.4 33.1 71 71 A F T 45S+ 0 0 50 -2,-0.6 -1,-0.1 3,-0.2 31,-0.1 0.567 81.1 55.0 -73.9 -9.0 2.9 8.1 33.4 72 72 A R T 45S+ 0 0 179 3,-0.1 -1,-0.2 77,-0.1 -2,-0.0 0.922 117.2 30.6 -91.9 -52.7 -0.7 9.1 33.1 73 73 A R T 45S- 0 0 196 2,-0.1 -2,-0.2 16,-0.0 17,-0.2 0.942 104.2-129.0 -62.0 -46.1 -2.2 7.0 35.9 74 74 A G T <5 + 0 0 0 -4,-2.5 15,-1.8 1,-0.3 16,-0.3 0.767 63.8 129.1 91.7 40.9 1.0 7.2 37.9 75 75 A V E < -F 70 0B 11 -5,-1.5 -5,-2.5 12,-0.2 2,-0.4 -0.934 64.8-113.1-131.0 149.6 1.1 3.5 38.3 76 76 A I E F 69 0B 12 10,-0.8 9,-1.8 7,-0.4 10,-0.2 -0.678 360.0 360.0 -77.0 129.4 3.6 0.6 37.8 77 77 A R 0 0 77 -9,-3.2 -8,-0.2 -2,-0.4 -1,-0.2 0.739 360.0 360.0 -84.2 360.0 2.4 -1.7 35.1 78 ! 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 79 81 A N 0 0 149 0, 0.0 -70,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.2 9.0 -9.9 42.3 80 82 A I > - 0 0 19 -46,-0.0 3,-1.6 -47,-0.0 4,-0.3 -0.817 360.0-124.3-129.4 94.0 7.2 -7.3 44.2 81 83 A P T 3 S- 0 0 60 0, 0.0 -45,-0.1 0, 0.0 -46,-0.1 -0.011 80.0 -16.5 -33.3 104.5 3.7 -8.5 45.5 82 84 A G T 3 S+ 0 0 61 -47,-0.2 -46,-0.8 1,-0.2 -49,-0.0 0.741 90.9 123.7 63.0 10.0 0.6 -6.5 44.5 83 85 A V X + 0 0 14 -3,-1.6 3,-1.4 -48,-0.2 -7,-0.4 0.507 47.9 114.7 -42.6 -20.3 2.7 -3.3 43.5 84 86 A Q T 3 S- 0 0 138 -4,-0.3 -7,-0.2 1,-0.3 -48,-0.1 -0.346 89.4 -5.2 -63.0 140.9 0.8 -3.9 40.2 85 87 A D T 3 S+ 0 0 110 -9,-1.8 -1,-0.3 1,-0.2 -8,-0.1 0.501 95.0 152.6 50.1 7.2 -1.7 -1.1 39.3 86 88 A F < - 0 0 39 -3,-1.4 2,-2.6 -10,-0.2 -10,-0.8 -0.501 54.1-126.8 -63.8 126.8 -0.8 0.5 42.7 87 89 A P > + 0 0 33 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.384 47.8 161.4 -73.1 62.4 -1.3 4.3 42.5 88 90 A I H > + 0 0 2 -2,-2.6 4,-2.3 1,-0.2 5,-0.2 0.796 64.9 51.2 -61.8 -35.5 2.2 4.8 43.8 89 91 A R H > S+ 0 0 56 -15,-1.8 4,-2.2 -3,-0.2 -1,-0.2 0.931 111.8 45.3 -69.0 -46.4 2.7 8.4 42.7 90 92 A R H > S+ 0 0 141 -16,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.909 115.5 47.7 -63.8 -42.0 -0.6 9.6 44.3 91 93 A I H >X S+ 0 0 42 -4,-2.2 4,-2.6 2,-0.2 3,-0.6 0.967 112.8 46.9 -66.3 -52.9 0.1 7.8 47.5 92 94 A L H 3X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.3 6,-0.4 0.843 110.4 53.7 -58.5 -35.6 3.7 8.9 47.8 93 95 A E H 3X S+ 0 0 67 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.3 0.819 110.4 48.0 -67.9 -30.4 2.7 12.5 47.1 94 96 A E H << S+ 0 0 133 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.968 115.8 42.5 -69.0 -53.7 0.1 12.3 49.9 95 97 A A H < S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.810 126.3 32.5 -60.6 -30.0 2.5 10.9 52.4 96 98 A T H < S- 0 0 21 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.649 86.8-136.6-112.2 -22.5 5.4 13.1 51.5 97 99 A G S < S+ 0 0 61 -4,-1.5 -4,-0.1 1,-0.2 -3,-0.1 0.641 71.5 104.8 65.0 16.0 3.9 16.5 50.4 98 100 A R S S- 0 0 17 -6,-0.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.925 80.5 -98.1-120.2 152.3 6.3 16.6 47.4 99 101 A P - 0 0 56 0, 0.0 -38,-2.6 0, 0.0 2,-0.5 -0.394 37.3-144.5 -60.8 142.7 5.8 16.0 43.7 100 102 A V E -e 61 0A 3 -40,-0.2 2,-0.6 -11,-0.1 -38,-0.2 -0.975 10.5-163.6-118.3 121.9 6.8 12.5 42.7 101 103 A F E -e 62 0A 50 -40,-3.4 -38,-2.9 -2,-0.5 2,-0.2 -0.917 12.2-151.2-108.4 116.4 8.5 11.8 39.2 102 104 A L E +e 63 0A 6 -2,-0.6 2,-0.3 -40,-0.2 -38,-0.2 -0.579 17.7 173.3 -87.0 147.1 8.5 8.2 38.1 103 105 A E E -e 64 0A 0 -40,-2.5 -38,-2.3 -2,-0.2 2,-0.2 -0.979 35.9-108.7-146.2 150.3 11.0 6.6 35.8 104 106 A N E > -e 65 0A 23 -2,-0.3 4,-2.7 -40,-0.2 5,-0.2 -0.521 35.8-119.0 -69.0 142.7 11.7 3.1 34.6 105 107 A D H > S+ 0 0 60 -40,-2.4 4,-2.3 -38,-0.2 5,-0.2 0.859 111.1 47.0 -58.6 -41.9 14.9 1.6 36.2 106 108 A A H > S+ 0 0 9 -41,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 112.4 49.5 -68.1 -42.9 16.8 1.1 32.9 107 109 A N H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.904 111.1 52.5 -56.9 -44.4 15.9 4.6 31.7 108 110 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.918 109.1 47.0 -56.7 -48.4 17.1 5.9 35.1 109 111 A A H X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.876 111.9 52.3 -62.8 -36.7 20.5 4.1 34.8 110 112 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 109.8 48.3 -61.8 -48.0 20.8 5.5 31.3 111 113 A L H X S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.910 111.3 51.0 -57.3 -42.0 20.1 9.0 32.5 112 114 A A H X>S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.8 0.940 111.1 46.3 -64.0 -47.8 22.7 8.6 35.4 113 115 A E H X5S+ 0 0 2 -4,-2.6 6,-1.9 3,-0.2 4,-1.0 0.875 110.9 55.6 -63.2 -34.6 25.5 7.4 33.0 114 116 A H H <5S+ 0 0 6 -4,-2.2 8,-0.4 -5,-0.2 7,-0.4 0.933 121.9 23.8 -63.9 -43.8 24.6 10.2 30.7 115 117 A H H <5S+ 0 0 49 -4,-2.1 -2,-0.2 5,-0.2 -1,-0.2 0.758 142.9 14.3 -94.9 -26.9 25.1 13.0 33.2 116 118 A L H <5S+ 0 0 33 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.433 121.1 39.1-129.7 -7.5 27.4 11.4 35.8 117 119 A G S >< S+ 0 0 0 -6,-1.9 3,-2.4 -7,-0.1 -1,-0.3 0.252 76.1 142.4-106.7 7.8 28.6 9.3 28.7 120 122 A Q T < + 0 0 120 -3,-2.1 -5,-0.2 -7,-0.5 3,-0.1 -0.260 69.1 33.7 -49.0 130.0 29.2 12.5 30.7 121 123 A G T 3 S+ 0 0 78 1,-0.4 -1,-0.3 -7,-0.4 2,-0.2 0.150 95.5 110.6 107.7 -17.2 29.9 15.3 28.2 122 124 A E < - 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0 0 43 -5,-2.4 4,-2.3 -6,-0.1 -1,-0.2 -0.512 29.0-143.9 -64.0 122.5 34.8 -25.8 26.8 210 212 A P H > S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.873 96.3 49.5 -62.6 -37.4 33.9 -25.6 23.1 211 213 A K H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.911 112.4 48.2 -66.2 -46.6 30.1 -25.7 23.7 212 214 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.876 111.6 50.7 -61.2 -40.8 30.3 -22.9 26.3 213 215 A E H X S+ 0 0 80 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.941 109.9 49.5 -61.4 -48.3 32.5 -20.8 23.9 214 216 A R H X S+ 0 0 17 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.907 114.6 44.2 -58.2 -46.2 30.1 -21.2 21.0 215 217 A L H X S+ 0 0 12 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.893 115.5 45.8 -68.3 -45.2 27.1 -20.1 23.1 216 218 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.905 114.0 47.8 -68.0 -44.7 28.8 -17.2 24.9 217 219 A L H X S+ 0 0 49 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.893 109.0 54.4 -65.5 -40.8 30.4 -15.7 21.8 218 220 A Q H X S+ 0 0 20 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.929 109.9 46.9 -55.1 -48.0 27.1 -16.0 19.9 219 221 A A H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.897 110.6 53.1 -62.6 -40.5 25.3 -14.0 22.6 220 222 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 108.5 49.6 -59.7 -43.3 28.1 -11.4 22.6 221 223 A R H X S+ 0 0 92 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.865 106.1 55.8 -68.0 -38.9 27.8 -10.9 18.8 222 224 A Y H X S+ 0 0 12 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.886 108.2 49.6 -58.8 -39.4 24.0 -10.4 19.1 223 225 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.963 111.7 47.1 -64.0 -48.0 24.6 -7.6 21.5 224 226 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.916 114.1 48.7 -58.2 -47.4 27.1 -6.0 19.2 225 227 A I H X S+ 0 0 11 -4,-3.1 4,-2.2 2,-0.2 234,-0.2 0.919 111.7 48.8 -56.0 -46.9 24.7 -6.4 16.3 226 228 A G H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.904 112.2 48.2 -64.6 -40.5 21.8 -4.9 18.3 227 229 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.909 111.7 49.5 -65.7 -40.2 23.8 -1.9 19.4 228 230 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.883 110.6 50.9 -66.6 -37.6 25.0 -1.2 15.9 229 231 A S H >X S+ 0 0 5 -4,-2.2 4,-0.9 1,-0.2 3,-0.7 0.918 107.1 52.9 -63.2 -45.5 21.5 -1.5 14.6 230 232 A L H 3X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.782 98.9 65.4 -61.4 -28.7 20.3 1.0 17.2 231 233 A V H 3X S+ 0 0 1 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.903 99.1 52.5 -61.1 -38.0 23.0 3.4 16.1 232 234 A K H << S+ 0 0 0 -4,-1.0 222,-2.2 -3,-0.7 -1,-0.2 0.825 114.5 43.0 -69.1 -28.0 21.2 3.7 12.7 233 235 A A H < S+ 0 0 0 -4,-0.9 220,-2.8 220,-0.2 -2,-0.2 0.957 134.1 13.1 -76.9 -48.8 18.0 4.5 14.5 234 236 A F H < S- 0 0 0 -4,-3.0 214,-0.3 218,-0.2 218,-0.2 0.634 74.0-150.8-108.7 -25.6 19.3 7.0 17.1 235 237 A D < - 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