==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 16-MAR-12 4ANG . COMPND 2 MOLECULE: COAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PHAGE PRR1; . AUTHOR M.PERSSON,K.TARS,L.LILJAS . 393 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 37.9 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 49 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 3 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 6 0 3 1 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 0 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 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 87 0, 0.0 265,-0.0 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0-135.1 12.5 19.6 129.7 2 2 A Q + 0 0 11 2,-0.0 2,-0.2 1,-0.0 260,-0.1 0.944 360.0 77.9 -91.3 -61.8 9.4 21.7 128.7 3 3 A L + 0 0 15 1,-0.0 2,-0.2 248,-0.0 263,-0.0 -0.414 62.9 142.9 -59.5 121.4 6.4 19.5 127.8 4 4 A Q - 0 0 63 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 -0.735 49.6 -47.7-145.0-171.0 4.9 18.4 131.1 5 5 A N - 0 0 75 -2,-0.2 246,-0.4 16,-0.1 2,-0.3 -0.137 43.8-165.8 -65.7 165.6 1.5 17.7 132.7 6 6 A L E -A 20 0A 6 14,-2.0 14,-3.3 27,-0.1 2,-0.5 -0.921 3.2-160.0-155.1 123.5 -1.4 20.1 132.5 7 7 A V E -A 19 0A 45 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.928 6.2-169.2-115.2 122.0 -4.5 20.1 134.6 8 8 A L E -A 18 0A 0 10,-2.4 10,-2.8 -2,-0.5 2,-0.3 -0.881 11.4-146.0-110.3 135.6 -7.7 21.8 133.6 9 9 A K E -A 17 0A 82 -2,-0.4 234,-0.3 231,-0.2 8,-0.2 -0.724 14.6-149.7 -94.8 145.1 -10.7 22.3 135.8 10 10 A D - 0 0 7 6,-1.3 226,-0.1 -2,-0.3 227,-0.1 -0.440 27.5-103.6-102.7-176.1 -14.2 22.2 134.3 11 11 A R + 0 0 63 221,-0.2 225,-0.1 -2,-0.2 226,-0.1 -0.090 68.1 137.9-102.0 36.3 -17.3 24.0 135.4 12 12 A E S S- 0 0 60 2,-0.1 -3,-0.0 4,-0.1 220,-0.0 -0.121 75.7 -87.6 -72.0 175.9 -19.0 21.1 137.1 13 13 A A S S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.941 130.6 19.8 -47.2 -55.9 -20.8 21.4 140.5 14 14 A T S S- 0 0 115 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.859 111.1-112.0-118.2 89.8 -17.5 20.7 142.2 15 15 A P - 0 0 57 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.180 33.7-144.9 -24.8 117.4 -14.9 21.5 139.5 16 16 A N - 0 0 81 1,-0.0 -6,-1.3 2,-0.0 2,-0.6 -0.454 8.5-124.4 -86.7 164.6 -13.2 18.3 138.4 17 17 A D E -A 9 0A 93 -8,-0.2 2,-0.7 -2,-0.1 -8,-0.2 -0.946 15.6-163.4-117.7 120.9 -9.6 18.1 137.4 18 18 A H E -A 8 0A 42 -10,-2.8 -10,-2.4 -2,-0.6 2,-0.8 -0.909 13.0-154.1-101.5 118.4 -8.7 16.7 134.0 19 19 A T E -A 7 0A 69 -2,-0.7 2,-0.5 -12,-0.2 16,-0.3 -0.825 4.8-161.8-100.9 104.6 -5.0 15.8 134.1 20 20 A F E -A 6 0A 0 -14,-3.3 -14,-2.0 -2,-0.8 14,-0.3 -0.716 7.4-163.2 -85.6 125.6 -3.4 15.8 130.7 21 21 A V E -B 33 0B 75 12,-3.0 12,-1.6 -2,-0.5 -16,-0.1 -0.801 33.3 -86.9-105.5 150.1 -0.2 13.9 130.6 22 22 A P E +B 32 0B 39 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.171 43.8 170.2 -54.5 146.3 2.4 14.4 127.7 23 23 A R E - 0 0 83 8,-2.1 2,-0.3 1,-0.4 9,-0.2 0.644 52.7 -51.3-123.2 -54.7 2.0 12.3 124.6 24 24 A D E -B 31 0B 49 7,-1.1 7,-3.1 2,-0.0 2,-0.4 -0.985 33.2-124.5-173.9 175.0 4.3 13.6 122.0 25 25 A I E +B 30 0B 38 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.981 26.7 173.2-137.2 122.9 5.7 16.5 120.0 26 26 A R S S- 0 0 101 3,-1.7 3,-0.4 -2,-0.4 -2,-0.0 -0.992 73.7 -1.5-133.6 124.8 5.7 16.4 116.2 27 27 A D S S- 0 0 139 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.840 128.9 -60.8 67.3 32.6 6.7 19.5 114.2 28 28 A N S S+ 0 0 127 1,-0.2 21,-0.7 20,-0.1 2,-0.5 0.868 109.6 127.7 60.4 35.4 7.3 21.5 117.4 29 29 A V E - C 0 48B 53 -3,-0.4 -3,-1.7 19,-0.2 19,-0.2 -0.933 50.4-151.1-124.5 100.1 3.6 21.0 118.2 30 30 A G E -BC 25 47B 0 17,-2.1 17,-2.3 -2,-0.5 2,-0.4 -0.513 10.3-164.8 -77.0 139.0 3.4 19.6 121.7 31 31 A E E +BC 24 46B 37 -7,-3.1 -8,-2.1 15,-0.2 -7,-1.1 -0.949 11.2 179.1-123.9 144.5 0.5 17.4 122.5 32 32 A V E -BC 22 45B 0 13,-2.1 13,-1.5 -2,-0.4 2,-0.3 -0.932 12.7-168.3-145.6 116.1 -0.6 16.4 126.0 33 33 A V E -BC 21 44B 1 -12,-1.6 -12,-3.0 -2,-0.4 2,-0.5 -0.704 15.2-146.1-108.0 161.9 -3.7 14.1 126.3 34 34 A E E + C 0 43B 43 9,-2.3 9,-1.5 -14,-0.3 2,-0.3 -0.984 43.1 126.6-127.9 116.2 -5.7 13.2 129.2 35 35 A S - 0 0 55 -2,-0.5 2,-0.1 -16,-0.3 7,-0.1 -0.959 56.2 -96.3-158.9 176.7 -7.1 9.7 129.1 36 36 A T S S- 0 0 105 2,-0.4 4,-0.1 -2,-0.3 6,-0.0 -0.246 70.9 -72.0 -85.7 179.1 -7.6 6.3 130.6 37 37 A G S S+ 0 0 17 -2,-0.1 324,-0.0 2,-0.1 -1,-0.0 0.661 113.3 85.8 -52.9 -14.5 -5.3 3.5 129.7 38 38 A V S S- 0 0 26 2,-0.1 2,-2.2 324,-0.1 -2,-0.4 -0.780 76.5-136.5 -99.2 132.5 -6.9 3.3 126.2 39 39 A P S S+ 0 0 20 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.252 71.9 101.3 -76.3 52.1 -5.9 5.5 123.3 40 40 A I S S- 0 0 63 -2,-2.2 -4,-0.2 -4,-0.1 -2,-0.1 -0.980 85.8 -2.2-142.8 130.8 -9.4 6.2 122.2 41 41 A G S S+ 0 0 21 -2,-0.4 2,-0.3 1,-0.2 27,-0.1 0.779 83.9 162.2 66.1 26.1 -11.7 9.3 122.7 42 42 A E - 0 0 20 23,-0.1 2,-0.6 -7,-0.1 -1,-0.2 -0.585 43.7-120.0 -79.0 139.6 -8.9 10.9 124.7 43 43 A S E -C 34 0B 14 -9,-1.5 -9,-2.3 -2,-0.3 2,-0.3 -0.724 35.6-160.3 -81.9 121.1 -9.2 14.6 125.1 44 44 A R E -CD 33 64B 94 20,-1.0 20,-3.2 -2,-0.6 2,-0.4 -0.755 15.0-170.8-104.6 150.6 -6.1 16.2 123.6 45 45 A F E -CD 32 63B 0 -13,-1.5 -13,-2.1 -2,-0.3 2,-0.3 -0.992 11.4-173.1-138.4 129.0 -4.7 19.6 124.1 46 46 A T E -CD 31 62B 19 16,-3.1 16,-2.1 -2,-0.4 2,-0.3 -0.867 7.6-170.1-124.7 160.4 -1.9 20.9 121.9 47 47 A I E +CD 30 61B 0 -17,-2.3 -17,-2.1 -2,-0.3 2,-0.3 -0.991 8.6 169.6-151.0 137.9 0.3 23.9 121.9 48 48 A S E -CD 29 60B 15 12,-1.3 12,-1.4 -2,-0.3 2,-0.3 -0.899 14.5-160.1-141.4 169.2 2.8 25.3 119.4 49 49 A L E + D 0 59B 31 -21,-0.7 2,-0.3 -2,-0.3 10,-0.2 -0.827 12.4 174.7-158.4 113.6 4.8 28.5 118.9 50 50 A R E - D 0 58B 119 8,-2.2 8,-2.5 -2,-0.3 2,-0.6 -0.853 25.0-140.0-119.9 157.0 6.3 29.7 115.7 51 51 A K E - D 0 57B 137 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.942 26.7-143.3-116.2 103.8 8.1 32.9 114.8 52 52 A T > - 0 0 28 4,-1.9 3,-1.1 -2,-0.6 4,-0.4 -0.154 22.3-110.4 -63.3 164.6 7.0 34.1 111.4 53 53 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.887 114.7 69.0 -60.6 -45.0 9.4 35.8 109.0 54 54 A N T 3 S- 0 0 141 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.748 122.7-105.5 -46.6 -27.5 7.6 39.2 109.4 55 55 A G S < S+ 0 0 26 -3,-1.1 40,-1.0 1,-0.3 2,-0.4 0.771 77.0 135.3 100.5 37.8 9.1 39.0 112.9 56 56 A R E - E 0 94B 42 -4,-0.4 -4,-1.9 38,-0.2 2,-0.5 -0.945 48.2-141.0-118.2 139.0 5.9 38.1 114.8 57 57 A Y E +DE 51 93B 65 36,-1.6 36,-3.2 -2,-0.4 2,-0.4 -0.885 28.0 171.2 -99.0 129.6 5.6 35.5 117.4 58 58 A K E -DE 50 92B 61 -8,-2.5 -8,-2.2 -2,-0.5 2,-0.3 -0.963 9.3-172.1-141.9 124.0 2.4 33.6 117.2 59 59 A S E -DE 49 91B 2 32,-1.0 32,-2.3 -2,-0.4 2,-0.4 -0.753 10.8-143.8-112.0 162.3 1.4 30.5 119.2 60 60 A T E -DE 48 90B 15 -12,-1.4 -12,-1.3 -2,-0.3 2,-0.4 -0.972 7.9-167.3-135.2 124.8 -1.6 28.2 118.9 61 61 A L E -DE 47 89B 1 28,-2.1 28,-3.4 -2,-0.4 2,-0.4 -0.873 11.0-177.7-106.3 136.7 -3.6 26.3 121.5 62 62 A K E -DE 46 88B 105 -16,-2.1 -16,-3.1 -2,-0.4 2,-0.5 -0.994 3.9-171.2-137.2 126.7 -5.9 23.6 120.4 63 63 A L E -DE 45 87B 0 24,-2.8 24,-1.7 -2,-0.4 2,-0.5 -0.977 1.7-172.9-122.8 130.9 -8.2 21.6 122.6 64 64 A V E -DE 44 86B 11 -20,-3.2 -20,-1.0 -2,-0.5 22,-0.2 -0.978 3.2-179.8-122.4 123.9 -10.3 18.6 121.6 65 65 A V E - E 0 85B 23 20,-2.8 20,-1.5 -2,-0.5 2,-0.2 -0.827 7.3-168.3-131.5 98.8 -12.7 17.1 124.0 66 66 A P E - E 0 84B 14 0, 0.0 2,-0.5 0, 0.0 18,-0.3 -0.483 19.7-130.2 -80.0 147.7 -14.7 14.0 122.7 67 67 A V E - E 0 83B 29 16,-3.4 15,-2.2 -2,-0.2 16,-1.1 -0.895 27.7-166.5-100.5 125.4 -17.7 12.7 124.5 68 68 A V E + E 0 81B 63 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.948 13.4 171.0-120.5 139.2 -17.4 8.9 125.0 69 69 A Q E - E 0 80B 99 11,-2.0 11,-2.5 -2,-0.4 2,-0.5 -0.931 37.3-105.1-136.5 156.1 -20.1 6.5 126.1 70 70 A S E - E 0 79B 85 -2,-0.3 2,-0.3 9,-0.3 7,-0.1 -0.740 32.3-163.4 -91.4 130.4 -20.0 2.7 126.2 71 71 A Q E - E 0 78B 91 7,-2.7 7,-2.3 -2,-0.5 2,-0.5 -0.811 11.0-137.6-107.6 152.1 -22.0 0.9 123.5 72 72 A T E + E 0 77B 95 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.936 22.7 172.9-119.4 117.6 -23.0 -2.7 123.7 73 73 A V E > S- E 0 76B 66 3,-1.0 3,-1.3 -2,-0.5 -2,-0.0 -0.875 79.8 -27.4-124.1 99.5 -22.7 -5.0 120.7 74 74 A N T 3 S- 0 0 153 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.928 123.7 -53.0 64.4 43.1 -23.4 -8.7 121.4 75 75 A G T 3 S+ 0 0 61 1,-0.2 2,-1.7 0, 0.0 -1,-0.3 0.416 110.2 128.7 73.6 -6.2 -22.3 -8.2 125.0 76 76 A I E < -E 73 0B 109 -3,-1.3 -3,-1.0 2,-0.0 2,-0.4 -0.621 45.9-164.2 -83.8 80.5 -19.0 -6.7 123.6 77 77 A V E +E 72 0B 90 -2,-1.7 -5,-0.2 -5,-0.2 -7,-0.1 -0.541 16.6 166.8 -71.6 124.8 -19.1 -3.5 125.7 78 78 A T E -E 71 0B 46 -7,-2.3 -7,-2.7 -2,-0.4 2,-0.3 -0.999 37.1-120.2-140.4 139.5 -16.7 -0.9 124.3 79 79 A P E +E 70 0B 72 0, 0.0 2,-0.3 0, 0.0 -9,-0.3 -0.638 40.3 177.2 -80.8 142.6 -16.3 2.8 124.9 80 80 A V E -E 69 0B 50 -11,-2.5 -11,-2.0 -2,-0.3 2,-0.7 -0.961 33.6-103.7-141.2 158.3 -16.8 4.9 121.7 81 81 A V E +E 68 0B 55 -2,-0.3 -13,-0.2 -13,-0.2 3,-0.1 -0.753 30.0 176.3 -89.6 118.0 -16.9 8.5 120.7 82 82 A V E - 0 0 56 -15,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.824 67.2 -16.2 -87.6 -35.4 -20.4 9.9 120.1 83 83 A R E -E 67 0B 37 -16,-1.1 -16,-3.4 2,-0.0 2,-0.4 -0.982 59.6-137.0-165.0 159.5 -19.4 13.5 119.4 84 84 A T E -E 66 0B 22 -2,-0.3 2,-0.4 -18,-0.3 145,-0.1 -0.966 1.0-154.1-132.0 146.2 -16.5 16.0 119.7 85 85 A S E -E 65 0B 4 -20,-1.5 -20,-2.8 -2,-0.4 2,-0.3 -0.941 18.5-169.8-115.3 133.4 -16.1 19.6 120.8 86 86 A Y E +EF 64 224B 92 138,-2.4 138,-3.1 -2,-0.4 2,-0.3 -0.906 10.1 177.9-123.8 152.8 -13.2 21.6 119.4 87 87 A V E -EF 63 223B 1 -24,-1.7 -24,-2.8 -2,-0.3 2,-0.4 -0.961 7.3-165.1-153.5 133.9 -11.7 25.0 120.3 88 88 A T E -EF 62 222B 28 134,-1.6 134,-2.0 -2,-0.3 2,-0.4 -0.943 0.6-165.4-121.8 143.9 -8.7 26.8 118.9 89 89 A V E -EF 61 221B 2 -28,-3.4 -28,-2.1 -2,-0.4 2,-0.4 -0.984 4.0-170.1-128.4 139.3 -6.9 29.7 120.2 90 90 A D E -EF 60 220B 52 130,-1.7 130,-1.6 -2,-0.4 2,-0.5 -0.930 1.9-169.8-134.1 111.9 -4.4 31.9 118.3 91 91 A F E -EF 59 219B 1 -32,-2.3 -32,-1.0 -2,-0.4 2,-0.5 -0.846 1.4-174.0-103.0 137.0 -2.1 34.5 119.8 92 92 A D E -EF 58 218B 32 126,-2.9 126,-2.4 -2,-0.5 2,-0.3 -0.931 13.1-179.7-129.1 103.0 -0.2 36.8 117.5 93 93 A Y E -E 57 0B 1 -36,-3.2 -36,-1.6 -2,-0.5 2,-0.4 -0.729 29.8-112.5-106.3 158.7 2.2 39.0 119.4 94 94 A D E > -E 56 0B 18 122,-0.3 3,-2.8 -2,-0.3 -38,-0.2 -0.685 25.3-125.2 -86.6 135.3 4.5 41.7 118.2 95 95 A A T 3 S+ 0 0 51 -40,-1.0 -1,-0.1 -2,-0.4 -39,-0.1 0.430 111.3 54.3 -60.6 5.2 8.2 40.9 118.7 96 96 A R T 3 S+ 0 0 151 2,-0.1 -1,-0.3 118,-0.0 2,-0.1 0.206 81.6 116.6-121.1 10.4 8.5 44.2 120.6 97 97 A S < - 0 0 13 -3,-2.8 2,-0.3 119,-0.1 -4,-0.0 -0.409 61.3-126.8 -77.2 158.8 5.8 43.5 123.0 98 98 A T > - 0 0 64 -2,-0.1 4,-2.1 1,-0.1 5,-0.3 -0.699 21.3-108.5-106.3 160.3 6.7 43.2 126.7 99 99 A T H > S+ 0 0 70 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.895 118.5 52.3 -54.9 -42.5 5.9 40.4 129.1 100 100 A K H > S+ 0 0 117 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.969 107.6 50.2 -57.6 -55.6 3.4 42.6 130.9 101 101 A E H > S+ 0 0 43 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.944 113.7 45.2 -45.7 -61.6 1.5 43.5 127.8 102 102 A R H X S+ 0 0 18 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.919 113.4 50.8 -50.6 -50.5 1.2 40.0 126.7 103 103 A N H X S+ 0 0 35 -4,-2.9 4,-3.5 -5,-0.3 -1,-0.2 0.957 112.5 44.4 -54.7 -56.0 0.2 38.8 130.2 104 104 A N H X S+ 0 0 20 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.924 112.4 55.3 -54.0 -44.7 -2.5 41.4 130.5 105 105 A F H X S+ 0 0 8 -4,-3.3 4,-1.9 -5,-0.3 3,-0.5 0.961 111.5 41.5 -51.6 -59.6 -3.6 40.6 127.0 106 106 A V H X S+ 0 0 0 -4,-3.2 4,-3.3 1,-0.2 5,-0.3 0.962 111.0 57.9 -53.7 -53.7 -4.0 36.9 127.8 107 107 A G H X S+ 0 0 5 -4,-3.5 4,-2.2 -5,-0.2 34,-0.3 0.840 106.7 49.8 -44.5 -41.2 -5.6 37.8 131.1 108 108 A M H X S+ 0 0 7 -4,-2.4 4,-2.9 -3,-0.5 33,-0.2 0.981 112.9 41.0 -66.0 -59.6 -8.3 39.7 129.4 109 109 A I H X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.3 -1,-0.2 0.897 113.1 58.5 -57.0 -34.6 -9.4 37.3 126.8 110 110 A A H < S+ 0 0 17 -4,-3.3 3,-0.4 -5,-0.3 -1,-0.3 0.943 108.7 45.1 -56.0 -46.5 -9.0 34.8 129.6 111 111 A D H < S+ 0 0 14 -4,-2.2 -2,-0.2 30,-0.3 -1,-0.2 0.900 102.4 65.2 -64.7 -42.0 -11.6 36.9 131.5 112 112 A A H < S+ 0 0 0 -4,-2.9 2,-0.7 29,-0.1 -1,-0.2 0.843 91.3 68.8 -50.6 -40.0 -13.8 37.2 128.4 113 113 A L S < S+ 0 0 3 -4,-1.6 2,-0.3 -3,-0.4 3,-0.1 -0.746 82.4 125.3 -77.6 117.8 -14.5 33.4 128.5 114 114 A K S > S- 0 0 77 -2,-0.7 3,-1.0 3,-0.2 7,-0.3 -0.775 72.9-114.1 177.1 136.4 -16.5 33.2 131.7 115 115 A A T 3 S+ 0 0 62 1,-0.3 -1,-0.2 -2,-0.3 6,-0.0 0.832 116.6 36.1 -32.6 -58.3 -19.6 32.1 133.4 116 116 A D T 3 S+ 0 0 100 1,-0.1 2,-2.8 -3,-0.1 -1,-0.3 0.694 82.3 103.0 -77.8 -23.5 -20.7 35.7 134.1 117 117 A K <> - 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