==== 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 VIRAL PROTEIN 26-MAR-02 1L9V . COMPND 2 MOLECULE: ROTAVIRUS-NSP2; . SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN 11 ROTAVIRUS (SEROTYPE 3 / STRA . AUTHOR H.JAYARAM,Z.TARAPOREWALA,J.T.PATTON,B.V.PRASAD . 313 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 11.8 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 . 3 1.0 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 . 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 0 1 0 2 1 2 1 0 2 0 1 0 0 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 . 2 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 A M 0 0 69 0, 0.0 106,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 44.8 51.1 19.8 16.8 2 2 A A - 0 0 3 104,-0.3 104,-2.6 1,-0.1 2,-0.1 -0.546 360.0 -72.0-118.1-177.6 54.4 18.9 18.7 3 3 A E B > -A 105 0A 27 102,-0.3 3,-1.8 -2,-0.2 102,-0.2 -0.451 38.2-121.1 -76.2 150.4 55.5 17.5 22.0 4 4 A L G >> S+ 0 0 0 100,-1.5 3,-1.9 98,-0.4 4,-1.0 0.788 111.9 70.6 -60.6 -25.6 55.1 19.6 25.2 5 5 A A G 34 S+ 0 0 6 97,-2.4 -1,-0.3 1,-0.3 98,-0.1 0.365 83.9 73.3 -73.3 7.6 58.9 19.3 25.6 6 6 A C G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 96,-0.2 -2,-0.2 0.487 103.8 35.2 -96.0 -7.7 59.1 21.6 22.6 7 7 A F T <4 S+ 0 0 0 -3,-1.9 15,-1.4 1,-0.3 2,-0.3 0.600 123.2 10.3-119.0 -19.9 58.0 24.6 24.7 8 8 A C E < -B 21 0B 0 -4,-1.0 -1,-0.3 13,-0.2 11,-0.1 -0.968 54.1-136.5-156.2 169.3 59.6 24.1 28.1 9 9 A Y E -B 20 0B 45 11,-2.0 11,-2.4 -2,-0.3 2,-0.2 -0.969 31.7-108.8-131.9 145.5 61.9 22.1 30.3 10 10 A P E -B 19 0B 30 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.506 27.2-172.3 -76.4 140.3 61.4 20.8 33.9 11 11 A H E -B 18 0B 76 7,-1.1 2,-1.9 -2,-0.2 7,-1.9 -0.863 16.1-149.6-136.3 99.2 63.3 22.4 36.8 12 12 A L E +B 17 0B 88 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.490 44.0 148.7 -69.7 85.6 63.0 20.6 40.2 13 13 A E E > +B 16 0B 50 -2,-1.9 3,-0.7 3,-1.6 -2,-0.1 -0.823 54.0 13.6-120.3 161.1 63.3 23.7 42.3 14 14 A N T 3 S- 0 0 144 -2,-0.3 -1,-0.2 1,-0.2 3,-0.0 0.826 135.6 -53.9 41.7 40.2 62.0 24.8 45.7 15 15 A D T 3 S+ 0 0 159 -3,-0.2 -1,-0.2 1,-0.1 2,-0.2 0.852 123.0 53.8 65.2 48.2 61.0 21.1 46.1 16 16 A S E < S-B 13 0B 54 -3,-0.7 -3,-1.6 -5,-0.1 2,-0.4 -0.815 91.4 -79.2 168.2 151.7 59.0 20.3 43.0 17 17 A Y E -B 12 0B 42 76,-1.0 76,-0.5 -5,-0.3 2,-0.5 -0.549 40.7-177.2 -72.3 121.5 59.1 20.5 39.2 18 18 A K E -B 11 0B 96 -7,-1.9 -7,-1.1 -2,-0.4 2,-0.3 -0.987 22.8-132.5-117.3 122.7 58.4 24.0 37.9 19 19 A F E -B 10 0B 2 -2,-0.5 70,-0.1 66,-0.3 -11,-0.0 -0.596 19.2-158.1 -84.2 139.0 58.4 24.2 34.1 20 20 A I E -B 9 0B 39 -11,-2.4 -11,-2.0 -2,-0.3 2,-0.1 -0.930 15.4-118.7-120.5 138.5 60.3 26.9 32.3 21 21 A P E -B 8 0B 43 0, 0.0 -13,-0.2 0, 0.0 2,-0.2 -0.321 28.6-119.0 -69.6 149.0 59.9 28.4 28.7 22 22 A F - 0 0 6 -15,-1.4 2,-0.4 -16,-0.1 30,-0.1 -0.552 17.5-126.6 -86.9 155.6 62.7 28.2 26.1 23 23 A N >> - 0 0 93 28,-0.5 4,-1.5 26,-0.4 3,-0.6 -0.831 19.6-131.9 -95.2 140.8 64.3 31.3 24.6 24 24 A N H 3> S+ 0 0 41 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.889 106.6 58.5 -64.0 -35.3 64.1 31.1 20.8 25 25 A L H 3> S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.823 104.1 52.6 -61.9 -29.5 67.8 32.0 20.5 26 26 A A H <> S+ 0 0 0 -3,-0.6 4,-2.1 23,-0.3 -1,-0.2 0.876 109.0 48.9 -71.7 -37.9 68.6 28.9 22.6 27 27 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.924 109.5 54.0 -65.0 -42.0 66.5 26.8 20.3 28 28 A K H < S+ 0 0 91 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.843 108.1 47.9 -61.3 -37.5 68.4 28.4 17.4 29 29 A A H >X S+ 0 0 29 -4,-1.8 3,-1.7 2,-0.2 4,-0.7 0.913 109.0 54.4 -70.2 -41.0 71.8 27.4 18.9 30 30 A M H >< S+ 0 0 2 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.936 100.3 60.9 -54.7 -49.2 70.5 23.9 19.4 31 31 A L T 3< S+ 0 0 23 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.589 109.2 42.7 -55.5 -13.9 69.6 23.7 15.8 32 32 A T T <4 S+ 0 0 120 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.475 91.7 112.9-111.4 -5.6 73.3 24.2 14.9 33 33 A A << - 0 0 22 -3,-1.9 2,-0.7 -4,-0.7 -3,-0.0 -0.309 64.4-133.3 -70.7 146.9 74.8 21.9 17.5 34 34 A K - 0 0 213 -2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.914 37.4-176.0 -98.8 116.5 76.6 18.7 16.7 35 35 A V - 0 0 43 -2,-0.7 2,-0.2 20,-0.1 5,-0.1 -0.867 25.4-116.1-119.9 152.7 75.2 16.2 19.1 36 36 A D >> - 0 0 114 -2,-0.3 3,-2.6 1,-0.1 4,-0.7 -0.588 26.7-120.3 -83.0 146.7 75.9 12.6 19.9 37 37 A K G >4 S+ 0 0 196 1,-0.3 3,-0.7 -2,-0.2 4,-0.3 0.826 114.2 64.7 -53.2 -31.6 73.2 10.0 19.3 38 38 A K G 34 S+ 0 0 179 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.690 108.4 37.8 -67.1 -18.2 73.4 9.3 23.0 39 39 A D G X4 S+ 0 0 62 -3,-2.6 3,-2.6 1,-0.1 -1,-0.2 0.388 77.8 105.7-115.7 3.5 72.1 12.8 23.8 40 40 A M T << S+ 0 0 68 -3,-0.7 16,-2.5 -4,-0.7 17,-0.3 0.750 86.6 49.9 -54.6 -24.6 69.5 13.4 21.1 41 41 A D T 3 S+ 0 0 99 -4,-0.3 -1,-0.3 14,-0.2 2,-0.3 0.267 97.0 91.9 -98.7 9.8 66.8 12.9 23.8 42 42 A K S < S- 0 0 96 -3,-2.6 2,-0.2 11,-0.1 14,-0.1 -0.739 85.6 -96.9-107.3 155.2 68.4 15.2 26.4 43 43 A F - 0 0 77 -2,-0.3 2,-0.3 11,-0.2 -2,-0.1 -0.460 45.6-127.1 -69.2 135.1 67.8 18.9 27.1 44 44 A Y E -C 52 0C 61 8,-2.0 8,-3.5 9,-0.2 2,-0.7 -0.593 9.5-146.0 -89.9 145.4 70.4 21.1 25.3 45 45 A D E -C 51 0C 93 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.888 14.1-179.3-114.1 103.6 72.6 23.7 26.9 46 46 A S - 0 0 5 4,-1.5 4,-0.2 -2,-0.7 -20,-0.1 -0.487 27.6-139.9 -79.8 167.6 73.4 26.7 24.6 47 47 A I S S+ 0 0 142 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.843 91.3 43.7-101.6 -27.4 75.6 28.7 26.9 48 48 A I S S+ 0 0 125 1,-0.2 -22,-0.1 2,-0.1 -23,-0.1 0.736 121.3 32.8 -80.7 -33.9 74.4 32.2 26.1 49 49 A Y S S- 0 0 95 1,-0.4 -26,-0.4 -24,-0.1 -23,-0.3 0.131 101.8-113.3-121.6 25.3 70.6 31.6 26.1 50 50 A G - 0 0 35 -3,-0.2 -4,-1.5 -4,-0.2 -1,-0.4 -0.236 65.0 -10.7 79.1-169.9 69.8 28.9 28.6 51 51 A I E -C 45 0C 46 -6,-0.2 -28,-0.5 -30,-0.1 -6,-0.2 -0.368 60.3-161.1 -69.9 142.7 68.4 25.4 28.1 52 52 A A E -C 44 0C 0 -8,-3.5 -8,-2.0 -26,-0.1 -25,-0.1 -0.779 28.5 -84.5-119.0 163.7 67.1 24.3 24.7 53 53 A P - 0 0 0 0, 0.0 -9,-0.2 0, 0.0 -1,-0.1 -0.125 61.0 -73.4 -65.2 162.6 64.7 21.4 23.6 54 54 A P > - 0 0 4 0, 0.0 3,-3.1 0, 0.0 -11,-0.2 -0.392 42.2-127.5 -60.9 122.7 65.9 17.8 23.0 55 55 A P G > S+ 0 0 7 0, 0.0 3,-1.2 0, 0.0 -14,-0.2 0.658 105.1 71.4 -45.1 -22.5 67.8 17.8 19.6 56 56 A Q G > S+ 0 0 98 -16,-2.5 3,-0.6 1,-0.3 -15,-0.1 0.797 87.7 64.0 -68.0 -26.3 65.6 14.9 18.5 57 57 A F G X + 0 0 28 -3,-3.1 3,-1.7 -17,-0.3 -1,-0.3 0.160 66.9 118.6 -83.7 20.7 62.7 17.4 18.2 58 58 A K G X + 0 0 92 -3,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.880 65.3 61.3 -51.5 -46.4 64.6 19.2 15.5 59 59 A K G < S+ 0 0 153 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.618 90.9 70.5 -60.4 -14.6 61.9 18.6 12.9 60 60 A R G < S+ 0 0 79 -3,-1.7 10,-1.9 9,-0.1 2,-0.5 0.575 88.2 72.8 -80.3 -11.3 59.4 20.5 15.0 61 61 A Y B < S-d 70 0D 0 -3,-1.9 10,-0.1 8,-0.3 7,-0.1 -0.923 83.1-122.9-114.2 124.0 61.0 23.9 14.3 62 62 A N + 0 0 27 8,-2.4 2,-0.2 -2,-0.5 5,-0.2 -0.273 41.7 162.9 -58.9 143.5 60.7 25.7 11.0 63 63 A T B > -E 66 0E 50 3,-1.6 3,-1.7 -4,-0.1 6,-0.1 -0.801 59.8 -72.3-147.1-174.4 64.1 26.5 9.5 64 64 A N T 3 S+ 0 0 170 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 0.751 137.6 33.3 -60.0 -21.0 65.5 27.5 6.1 65 65 A D T 3 S+ 0 0 142 1,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.031 111.9 66.1-125.6 28.1 64.8 23.9 5.1 66 66 A N B < +E 63 0E 28 -3,-1.7 -3,-1.6 1,-0.1 -1,-0.1 -0.882 31.3 158.8-154.5 117.4 61.7 23.0 7.1 67 67 A S S S+ 0 0 89 -2,-0.3 -5,-0.1 -5,-0.2 -1,-0.1 0.251 70.2 82.0-116.4 5.9 58.2 24.4 6.8 68 68 A R S S+ 0 0 189 -7,-0.1 -1,-0.1 -9,-0.1 -6,-0.1 0.590 88.7 60.6 -86.1 -14.0 56.6 21.4 8.4 69 69 A G S S- 0 0 6 1,-0.1 -8,-0.3 -6,-0.1 2,-0.2 0.180 91.1 -79.0 -93.6-148.5 57.4 22.8 11.9 70 70 A M B -d 61 0D 1 -10,-1.9 -8,-2.4 107,-0.1 2,-1.1 -0.714 32.2-110.5-115.8 167.1 56.5 25.9 13.9 71 71 A N > + 0 0 56 105,-2.6 3,-2.0 -2,-0.2 6,-0.4 -0.617 39.4 171.7 -99.2 75.3 57.6 29.5 14.0 72 72 A F T 3 + 0 0 6 -2,-1.1 -1,-0.2 1,-0.3 -45,-0.1 0.533 69.6 66.2 -62.6 -8.1 59.4 29.5 17.4 73 73 A E T 3 S+ 0 0 96 103,-0.1 -1,-0.3 -3,-0.1 -49,-0.1 0.517 82.8 98.2 -93.2 -3.0 60.9 33.0 16.8 74 74 A T S <> S- 0 0 26 -3,-2.0 4,-0.7 1,-0.1 3,-0.3 -0.289 85.4-117.9 -77.0 167.1 57.4 34.6 16.9 75 75 A I H >> S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.838 112.4 66.3 -72.1 -35.5 56.0 36.3 20.0 76 76 A M H 3> S+ 0 0 10 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.801 92.8 60.3 -56.9 -33.4 53.2 33.7 20.0 77 77 A F H 3> S+ 0 0 0 -6,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.902 107.0 44.7 -62.0 -44.4 55.7 30.9 20.8 78 78 A T H < S+ 0 0 0 -4,-1.1 3,-1.3 -3,-0.5 4,-0.4 0.943 114.6 46.1 -78.9 -51.3 49.2 25.1 33.5 88 88 A L H >< S+ 0 0 1 -4,-3.0 3,-1.1 1,-0.3 5,-0.3 0.837 108.3 59.6 -62.0 -31.5 51.8 22.4 34.1 89 89 A N T 3< S+ 0 0 56 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.662 98.2 57.1 -72.0 -15.4 53.1 24.3 37.1 90 90 A S T < S+ 0 0 58 -3,-1.3 2,-0.8 -4,-0.3 -1,-0.3 0.557 95.5 73.7 -89.0 -7.7 49.6 24.2 38.8 91 91 A L S < S- 0 0 53 -3,-1.1 2,-0.5 -4,-0.4 -1,-0.2 -0.717 88.8-139.6-105.1 77.5 50.0 20.4 38.5 92 92 A K - 0 0 192 -2,-0.8 2,-0.2 -3,-0.1 -3,-0.1 -0.093 31.6-155.8 -40.2 90.6 52.5 19.6 41.2 93 93 A V - 0 0 17 -76,-0.5 -76,-1.0 -2,-0.5 2,-0.2 -0.522 5.1-140.4 -82.9 141.9 54.3 17.0 38.9 94 94 A T >> - 0 0 88 -2,-0.2 4,-1.9 -78,-0.1 3,-1.8 -0.665 25.7-104.2-100.6 156.1 56.4 14.1 40.3 95 95 A Q H 3> S+ 0 0 129 1,-0.3 4,-0.8 -2,-0.2 3,-0.3 0.887 117.3 50.0 -41.3 -68.0 59.6 12.7 38.9 96 96 A A H 34 S+ 0 0 78 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.683 116.5 48.8 -51.2 -16.0 58.4 9.6 37.2 97 97 A N H <> S+ 0 0 75 -3,-1.8 4,-2.4 2,-0.1 5,-0.3 0.871 86.7 75.5 -94.6 -42.6 55.8 11.8 35.6 98 98 A V H X S+ 0 0 17 -4,-1.9 4,-2.4 -3,-0.3 5,-0.2 0.859 96.5 54.8 -37.5 -49.6 57.6 14.8 34.1 99 99 A S H X S+ 0 0 73 -4,-0.8 4,-1.2 1,-0.2 -1,-0.2 0.951 112.3 39.6 -51.4 -61.2 58.9 12.6 31.3 100 100 A N H >> S+ 0 0 109 -4,-0.5 3,-0.7 -3,-0.2 4,-0.6 0.918 113.2 55.5 -56.5 -49.4 55.5 11.3 30.1 101 101 A V H >< S+ 0 0 10 -4,-2.4 3,-1.1 1,-0.2 -97,-0.3 0.912 109.9 45.6 -50.4 -50.2 53.8 14.7 30.6 102 102 A L H 3< S+ 0 0 7 -4,-2.4 -97,-2.4 -5,-0.3 -98,-0.4 0.705 106.3 58.7 -68.9 -22.9 56.3 16.5 28.3 103 103 A S H << S+ 0 0 68 -4,-1.2 2,-0.3 -3,-0.7 -1,-0.2 0.493 76.7 119.1 -85.1 -4.0 56.1 13.8 25.6 104 104 A R << - 0 0 109 -3,-1.1 -100,-1.5 -4,-0.6 2,-0.4 -0.470 63.7-139.2 -62.3 116.6 52.4 14.4 25.3 105 105 A V B +A 3 0A 62 -2,-0.3 2,-0.3 -102,-0.2 -102,-0.3 -0.708 31.1 178.4 -82.6 131.9 51.9 15.6 21.7 106 106 A V - 0 0 9 -104,-2.6 2,-0.7 -2,-0.4 -104,-0.3 -0.850 36.1 -92.7-132.1 167.6 49.4 18.4 21.6 107 107 A S > - 0 0 31 32,-0.4 4,-1.6 -2,-0.3 5,-0.1 -0.706 25.9-167.6 -82.0 112.0 47.7 20.8 19.2 108 108 A I H > S+ 0 0 0 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.902 90.3 56.7 -65.0 -38.8 49.7 24.1 18.9 109 109 A R H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 103.9 52.6 -57.4 -42.3 46.7 25.7 17.1 110 110 A H H > S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.895 112.5 46.4 -60.9 -40.3 44.5 24.8 20.0 111 111 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.891 108.9 52.5 -70.9 -40.4 47.0 26.5 22.3 112 112 A E H X S+ 0 0 4 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.882 108.2 53.5 -63.8 -35.4 47.4 29.6 20.1 113 113 A N H X S+ 0 0 3 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.890 106.2 50.6 -66.8 -38.9 43.7 30.0 20.1 114 114 A L H X S+ 0 0 0 -4,-1.4 4,-3.2 2,-0.2 5,-0.2 0.894 108.0 53.4 -65.7 -38.5 43.5 30.0 23.9 115 115 A V H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.928 108.1 51.6 -59.7 -42.6 46.2 32.6 24.1 116 116 A I H < S+ 0 0 84 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.844 112.5 45.8 -63.3 -33.2 44.0 34.7 21.7 117 117 A R H >< S+ 0 0 13 -4,-1.7 3,-1.2 36,-0.3 6,-0.3 0.958 113.5 46.7 -73.1 -52.2 41.0 34.2 24.1 118 118 A K H 3< S+ 0 0 58 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.776 107.9 55.7 -63.4 -29.0 42.9 35.0 27.4 119 119 A E T 3< S+ 0 0 90 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.661 91.2 88.6 -78.9 -12.2 44.6 38.1 26.0 120 120 A N X - 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0 0 60 -5,-1.7 -1,-0.2 1,-0.1 -2,-0.0 -0.538 51.5 -95.7 -94.5 160.9 36.6 -3.9 13.2 281 281 A T > - 0 0 83 -2,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.283 38.7-107.4 -67.5 156.9 39.6 -3.4 10.9 282 282 A L H > S+ 0 0 55 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.918 120.0 56.4 -51.4 -47.1 40.2 -0.1 9.3 283 283 A D H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 106.0 48.7 -54.8 -42.2 39.0 -1.5 5.9 284 284 A V H > S+ 0 0 48 -3,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.981 118.6 39.9 -62.5 -54.6 35.7 -2.7 7.3 285 285 A C H >X S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-0.6 0.976 113.5 54.4 -53.9 -64.3 35.0 0.7 8.9 286 286 A K H >X S+ 0 0 40 -4,-3.6 3,-2.2 1,-0.3 4,-0.6 0.825 99.9 60.6 -37.5 -52.7 36.4 2.7 6.0 287 287 A R H >X S+ 0 0 153 -4,-2.1 4,-1.7 1,-0.3 3,-0.9 0.818 95.5 61.8 -50.8 -36.4 34.2 1.0 3.4 288 288 A L H << S+ 0 0 39 -3,-1.8 -1,-0.3 -4,-0.9 -2,-0.2 0.732 93.4 65.6 -64.8 -21.2 31.1 2.3 5.2 289 289 A L H << S+ 0 0 8 -3,-2.2 -1,-0.2 -4,-0.6 -2,-0.2 0.842 111.5 32.8 -69.2 -33.8 32.3 5.9 4.5 290 290 A F H << S+ 0 0 139 -3,-0.9 2,-0.7 -4,-0.6 -2,-0.2 0.667 89.9 103.1 -97.6 -21.4 31.8 5.4 0.7 291 291 A Q S < S- 0 0 119 -4,-1.7 -4,-0.0 -23,-0.1 0, 0.0 -0.527 72.8-132.2 -67.9 109.7 28.8 3.0 0.6 292 292 A K + 0 0 181 -2,-0.7 2,-0.2 1,-0.1 -2,-0.1 -0.295 32.8 177.7 -60.5 147.6 25.9 5.2 -0.4 293 293 A M - 0 0 47 1,-0.1 -1,-0.1 2,-0.1 3,-0.0 -0.465 23.8-151.7-132.1-158.2 22.8 4.7 1.8 294 294 A K + 0 0 166 -2,-0.2 3,-0.3 4,-0.0 -1,-0.1 0.392 60.4 74.9-147.4 -62.6 19.3 6.2 2.1 295 295 A P S S+ 0 0 89 0, 0.0 -2,-0.1 0, 0.0 -28,-0.1 0.224 86.0 42.4 -52.5-178.2 17.6 6.1 5.6 296 296 A E S S+ 0 0 66 1,-0.2 -29,-0.2 2,-0.1 -3,-0.0 0.754 86.8 105.6 45.8 24.5 18.4 8.4 8.5 297 297 A K S S+ 0 0 115 -3,-0.3 -1,-0.2 1,-0.2 3,-0.2 0.494 76.0 51.0-104.4 -11.1 18.6 11.1 5.7 298 298 A N > + 0 0 94 1,-0.1 3,-0.7 3,-0.1 -1,-0.2 -0.321 60.4 137.6-121.2 47.6 15.3 12.5 6.9 299 299 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.966 100.9 3.0 -56.6 -49.8 15.8 13.0 10.7 300 300 A F T > S- 0 0 26 -3,-0.2 3,-1.7 -37,-0.1 -2,-0.1 -0.310 91.8-171.0-128.0 44.1 14.0 16.3 10.4 301 301 A K T < S+ 0 0 122 -3,-0.7 -3,-0.1 1,-0.3 -4,-0.0 -0.135 70.3 43.8 -42.5 118.0 13.1 16.0 6.7 302 302 A G T 3> S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.170 73.6 108.6 127.5 -16.8 11.8 19.5 5.8 303 303 A L H <> S+ 0 0 15 -3,-1.7 4,-2.0 1,-0.2 5,-0.2 0.919 79.6 54.8 -53.9 -47.7 14.3 21.8 7.5 304 304 A S H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 106.0 47.8 -52.1 -57.1 15.8 22.7 4.2 305 305 A T H > S+ 0 0 77 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.878 109.9 56.1 -55.4 -40.7 12.5 23.9 2.5 306 306 A D H X S+ 0 0 89 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.961 107.2 44.4 -58.3 -58.5 11.7 26.0 5.6 307 307 A R H X S+ 0 0 62 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.935 114.6 51.6 -53.2 -47.4 14.8 28.1 5.8 308 308 A K H X S+ 0 0 120 -4,-2.1 4,-2.3 1,-0.2 3,-0.4 0.948 109.8 49.3 -53.3 -52.3 14.6 28.6 2.0 309 309 A M H X S+ 0 0 95 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.881 107.3 54.4 -57.1 -40.2 10.9 29.7 2.4 310 310 A D H < S+ 0 0 102 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.865 108.0 51.1 -62.3 -35.4 11.9 32.1 5.2 311 311 A E H < S+ 0 0 101 -4,-2.0 -2,-0.2 -3,-0.4 -1,-0.2 0.939 99.8 61.7 -66.3 -47.3 14.4 33.7 2.8 312 312 A V H < 0 0 111 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.756 360.0 360.0 -51.4 -23.5 11.8 34.1 0.1 313 313 A S < 0 0 128 -4,-0.8 0, 0.0 -3,-0.5 0, 0.0 -0.749 360.0 360.0-119.0 360.0 10.1 36.4 2.6