==== 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 24-MAR-03 1UAX . COMPND 2 MOLECULE: RIBONUCLEASE HII; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR T.HATA,T.NUMATA,Y.KAKUTA,M.KIMURA . 422 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.0 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 . 0 0.0 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 . 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 . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 2 0 2 0 1 1 2 0 1 5 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 90 0, 0.0 26,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 170.3 14.8 70.4 108.6 2 2 A K E -A 26 0A 67 24,-0.2 98,-2.0 96,-0.2 99,-1.0 -0.757 360.0-169.5 -92.6 133.6 16.9 67.3 109.6 3 3 A V E -Ab 25 101A 3 22,-3.2 22,-2.5 -2,-0.4 2,-0.3 -0.911 2.8-159.0-122.4 151.3 14.9 64.3 111.0 4 4 A A E -Ab 24 102A 0 97,-2.3 99,-2.6 -2,-0.3 2,-0.3 -0.912 4.7-157.8-130.2 157.0 16.1 61.2 112.7 5 5 A G E -Ab 23 103A 0 18,-2.1 18,-2.1 -2,-0.3 2,-0.4 -0.961 8.0-164.3-130.3 148.0 14.8 57.7 113.3 6 6 A V E +Ab 22 104A 0 97,-1.9 99,-0.9 -2,-0.3 2,-0.3 -0.999 18.1 149.4-137.2 138.1 15.9 55.2 116.0 7 7 A D E -A 21 0A 7 14,-1.9 14,-3.4 -2,-0.4 2,-0.3 -0.950 26.6-134.2-155.1 168.3 15.3 51.5 116.3 8 8 A E E -A 20 0A 22 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.885 4.0-156.1-131.3 163.6 17.0 48.4 117.8 9 9 A A E S+A 19 0A 5 10,-2.2 10,-3.0 -2,-0.3 -2,-0.0 -0.995 72.1 36.8-136.8 138.8 17.9 44.9 117.0 10 10 A G + 0 0 8 -2,-0.4 -1,-0.1 8,-0.2 10,-0.0 0.831 60.0 142.3 91.6 37.1 18.5 42.0 119.4 11 11 A R S S+ 0 0 56 -3,-0.1 -2,-0.1 1,-0.1 7,-0.0 0.916 75.5 31.8 -75.8 -41.6 16.0 42.6 122.2 12 12 A G S S+ 0 0 36 3,-0.0 -1,-0.1 158,-0.0 6,-0.0 0.701 88.1 104.7 -94.5 -19.4 15.1 39.0 122.9 13 13 A P - 0 0 0 0, 0.0 157,-0.3 0, 0.0 156,-0.1 -0.213 57.8-145.3 -65.0 154.6 18.1 36.7 122.2 14 14 A V S S+ 0 0 0 155,-2.2 181,-2.6 180,-0.1 2,-0.4 0.692 85.4 62.6 -87.5 -20.6 20.2 35.2 125.0 15 15 A I B S+E 194 0B 0 154,-1.7 179,-0.2 179,-0.2 178,-0.1 -0.888 93.7 11.6-110.9 135.2 23.3 35.5 122.9 16 16 A G S S- 0 0 0 177,-2.7 136,-0.0 -2,-0.4 179,-0.0 -0.094 83.5 -56.7 97.0 166.0 24.9 38.8 121.7 17 17 A P - 0 0 10 0, 0.0 2,-0.5 0, 0.0 52,-0.2 -0.225 44.4-111.8 -79.9 171.8 24.6 42.5 122.2 18 18 A L E - C 0 68A 0 50,-2.7 50,-3.3 -7,-0.0 2,-0.5 -0.913 35.0-149.1-101.9 127.9 21.6 44.8 121.8 19 19 A V E -AC 9 67A 0 -10,-3.0 -10,-2.2 -2,-0.5 2,-0.5 -0.904 9.1-162.0-109.5 124.6 22.1 47.1 118.8 20 20 A I E -AC 8 66A 0 46,-2.6 46,-2.0 -2,-0.5 2,-0.4 -0.885 11.7-163.9-101.6 128.9 20.7 50.6 118.6 21 21 A G E -AC 7 65A 0 -14,-3.4 -14,-1.9 -2,-0.5 2,-0.4 -0.931 6.8-171.0-117.6 141.3 20.6 52.2 115.2 22 22 A V E -AC 6 64A 0 42,-2.3 42,-2.2 -2,-0.4 2,-0.4 -0.995 0.5-170.2-130.9 134.8 20.1 55.8 114.3 23 23 A A E -AC 5 63A 0 -18,-2.1 -18,-2.1 -2,-0.4 2,-0.4 -0.979 3.8-165.0-125.3 137.9 19.5 57.3 110.8 24 24 A V E +AC 4 62A 0 38,-2.8 37,-2.1 -2,-0.4 38,-1.5 -0.981 18.4 149.4-127.7 133.2 19.6 61.0 109.9 25 25 A I E -A 3 0A 0 -22,-2.5 -22,-3.2 -2,-0.4 2,-0.4 -0.985 47.4 -95.3-154.6 161.9 18.3 62.7 106.8 26 26 A D E > -A 2 0A 20 -2,-0.3 3,-2.8 -24,-0.2 -24,-0.2 -0.673 33.1-128.0 -83.3 133.2 16.8 66.0 105.5 27 27 A E G > S+ 0 0 81 -26,-2.8 3,-1.0 -2,-0.4 4,-0.2 0.756 108.8 63.1 -50.5 -26.0 13.0 65.9 105.4 28 28 A K G 3 S+ 0 0 155 -27,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.691 101.4 50.6 -74.2 -19.9 13.3 67.0 101.7 29 29 A N G X> S+ 0 0 53 -3,-2.8 3,-1.7 1,-0.2 4,-0.6 0.231 70.4 108.1-103.9 14.1 15.1 63.8 100.7 30 30 A I H X> + 0 0 27 -3,-1.0 4,-1.8 1,-0.3 3,-1.2 0.856 69.0 73.0 -58.1 -31.9 12.7 61.2 102.2 31 31 A E H 3> S+ 0 0 70 -3,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.841 89.8 59.9 -48.4 -37.2 11.7 60.5 98.7 32 32 A R H <> S+ 0 0 48 -3,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.844 103.0 49.1 -61.8 -37.8 15.1 58.8 98.4 33 33 A L H S+ 0 0 0 -3,-1.2 5,-1.7 -4,-0.6 4,-0.8 0.876 111.2 50.0 -70.6 -37.2 14.3 56.3 101.1 34 34 A R H <5S+ 0 0 104 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.906 109.3 52.8 -67.2 -39.5 11.0 55.5 99.5 35 35 A D H <5S+ 0 0 7 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.869 109.9 45.7 -65.2 -38.7 12.8 54.9 96.2 36 36 A I H <5S- 0 0 22 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.618 112.1-124.0 -80.6 -11.0 15.3 52.4 97.5 37 37 A G T ><5 + 0 0 9 -4,-0.8 3,-1.8 -3,-0.4 -3,-0.2 0.906 42.3 171.5 73.0 49.0 12.5 50.7 99.4 38 38 A V G > > - 0 0 82 -2,-0.3 4,-2.8 1,-0.1 3,-1.0 -0.435 39.9-107.6 -71.0 148.1 18.0 38.0 102.0 46 46 A P H 3> S+ 0 0 68 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.663 121.1 64.4 -52.1 -11.9 20.9 39.5 104.1 47 47 A G H 3> S+ 0 0 38 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.935 108.0 35.0 -76.1 -49.2 22.7 39.7 100.7 48 48 A Q H <> S+ 0 0 55 -3,-1.0 4,-2.3 1,-0.2 5,-0.2 0.894 116.8 57.3 -69.3 -39.5 20.3 42.2 99.2 49 49 A R H X S+ 0 0 25 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.832 103.7 52.1 -60.5 -35.2 19.9 43.8 102.6 50 50 A E H X S+ 0 0 65 -4,-1.2 4,-2.4 -5,-0.3 -1,-0.2 0.897 110.3 47.7 -68.8 -39.3 23.6 44.4 102.8 51 51 A K H X S+ 0 0 146 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.855 112.1 50.8 -67.8 -33.1 23.5 46.1 99.4 52 52 A L H X S+ 0 0 16 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.927 108.2 52.5 -67.3 -44.9 20.5 48.0 100.7 53 53 A F H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.924 108.4 50.8 -55.0 -48.8 22.6 49.0 103.7 54 54 A S H X S+ 0 0 64 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.887 112.0 45.6 -59.9 -40.9 25.4 50.2 101.5 55 55 A K H X S+ 0 0 71 -4,-1.8 4,-1.3 1,-0.2 3,-0.5 0.909 110.9 55.5 -69.1 -39.5 23.0 52.4 99.4 56 56 A L H >X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 3,-0.6 0.919 103.0 54.2 -54.9 -52.7 21.4 53.7 102.6 57 57 A I H 3< S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.766 107.8 49.8 -56.8 -30.8 24.6 54.9 104.1 58 58 A D H 3< S+ 0 0 140 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.789 114.5 45.6 -80.3 -26.3 25.4 57.0 101.0 59 59 A I H << S+ 0 0 12 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.1 0.880 95.1 83.8 -82.3 -43.5 22.0 58.6 101.1 60 60 A L S < S- 0 0 12 -4,-2.7 -35,-0.2 1,-0.1 3,-0.1 -0.282 74.4-136.4 -63.6 146.1 21.6 59.4 104.8 61 61 A D S S- 0 0 66 -37,-2.1 2,-0.3 1,-0.3 -36,-0.2 0.836 86.1 -16.4 -70.9 -29.7 23.2 62.7 106.1 62 62 A D E -C 24 0A 29 -38,-1.5 -38,-2.8 35,-0.0 2,-0.3 -0.975 60.2-166.2-168.3 156.8 24.4 60.6 109.0 63 63 A Y E -C 23 0A 91 -2,-0.3 2,-0.3 -40,-0.2 -40,-0.2 -0.978 6.2-161.8-148.0 156.5 24.0 57.3 110.9 64 64 A Y E -C 22 0A 56 -42,-2.2 -42,-2.3 -2,-0.3 2,-0.4 -0.999 3.3-162.2-146.1 142.0 25.1 55.9 114.3 65 65 A V E -C 21 0A 45 -2,-0.3 2,-0.4 -44,-0.2 -44,-0.2 -0.980 4.4-173.2-126.5 136.4 25.4 52.5 115.8 66 66 A L E -C 20 0A 35 -46,-2.0 -46,-2.6 -2,-0.4 2,-0.6 -0.995 10.9-153.8-129.8 123.8 25.7 51.7 119.6 67 67 A L E -C 19 0A 56 -2,-0.4 2,-0.6 -48,-0.2 -48,-0.2 -0.882 4.1-159.9-101.5 121.9 26.4 48.2 120.8 68 68 A V E -C 18 0A 1 -50,-3.3 -50,-2.7 -2,-0.6 -2,-0.0 -0.904 20.9-135.4-101.8 117.0 25.1 47.3 124.3 69 69 A T > - 0 0 58 -2,-0.6 4,-2.1 -52,-0.2 3,-0.2 -0.241 16.1-116.4 -71.2 156.3 26.9 44.3 125.7 70 70 A P H > S+ 0 0 10 0, 0.0 4,-3.0 0, 0.0 127,-0.2 0.855 116.8 58.1 -60.9 -33.8 25.4 41.3 127.5 71 71 A K H > S+ 0 0 109 121,-0.3 4,-1.7 2,-0.2 5,-0.1 0.917 106.7 48.1 -62.0 -41.5 27.3 42.3 130.7 72 72 A E H 4 S+ 0 0 73 -3,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.910 111.9 49.7 -63.3 -44.8 25.6 45.7 130.6 73 73 A I H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.942 111.0 49.0 -59.6 -48.4 22.3 44.1 130.1 74 74 A D H 3< S+ 0 0 23 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.789 110.8 50.0 -64.2 -29.9 22.8 41.7 133.0 75 75 A E T 3< S+ 0 0 111 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.293 81.1 135.3 -93.9 12.2 23.9 44.5 135.4 76 76 A R < - 0 0 79 -3,-1.4 4,-0.1 -4,-0.2 -3,-0.1 -0.298 46.4-155.6 -62.4 139.5 20.9 46.7 134.7 77 77 A H S S+ 0 0 171 2,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.378 77.9 37.5 -95.2 4.3 19.2 48.3 137.7 78 78 A H S S- 0 0 100 1,-0.1 -2,-0.1 2,-0.0 2,-0.0 -0.778 99.1 -66.5-140.5-176.7 16.0 48.7 135.8 79 79 A S > - 0 0 52 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.227 46.6-107.6 -73.2 165.2 13.8 46.8 133.2 80 80 A M H > S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.831 120.3 57.3 -61.6 -32.7 14.8 46.2 129.6 81 81 A N H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 109.3 43.8 -63.6 -45.9 12.3 48.8 128.5 82 82 A E H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.870 114.1 52.6 -65.8 -37.0 13.9 51.5 130.7 83 83 A L H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.899 107.9 48.8 -66.5 -43.0 17.3 50.3 129.5 84 84 A E H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.914 111.5 50.9 -66.5 -38.6 16.4 50.5 125.8 85 85 A A H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.878 110.1 48.6 -65.4 -38.0 15.1 54.1 126.3 86 86 A E H X S+ 0 0 86 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.872 112.8 47.8 -72.1 -32.7 18.2 55.2 128.1 87 87 A K H X S+ 0 0 33 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.799 106.1 57.5 -76.3 -27.7 20.4 53.7 125.3 88 88 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.936 109.7 47.1 -63.3 -41.7 18.2 55.4 122.7 89 89 A V H X S+ 0 0 17 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.922 107.6 54.7 -64.9 -44.3 19.1 58.6 124.5 90 90 A V H X S+ 0 0 59 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.946 112.4 43.4 -55.8 -48.9 22.8 57.8 124.6 91 91 A A H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 4,-0.4 0.904 112.8 51.5 -63.8 -43.1 23.0 57.3 120.8 92 92 A L H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.858 106.8 54.5 -63.1 -35.1 20.9 60.4 120.1 93 93 A N H 3< S+ 0 0 52 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.600 102.9 59.4 -75.3 -10.0 23.1 62.5 122.2 94 94 A S T << S+ 0 0 44 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.490 76.6 122.0 -95.1 -7.7 26.2 61.3 120.2 95 95 A L < - 0 0 15 -3,-0.9 3,-0.2 -4,-0.4 -31,-0.0 -0.188 50.4-157.2 -58.5 148.6 25.0 62.6 116.8 96 96 A R S S+ 0 0 149 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.492 92.6 48.8-100.7 -10.8 27.2 65.0 114.9 97 97 A I S S- 0 0 67 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.916 88.5-150.8-129.8 97.8 24.2 66.2 113.0 98 98 A K - 0 0 130 -2,-0.4 2,-0.2 -3,-0.2 -96,-0.2 -0.482 6.4-143.6 -77.4 140.7 21.4 66.9 115.4 99 99 A P - 0 0 3 0, 0.0 -96,-0.2 0, 0.0 3,-0.1 -0.661 13.4-153.6-100.8 158.9 17.7 66.6 114.4 100 100 A Q S S+ 0 0 113 -98,-2.0 27,-3.2 1,-0.2 2,-0.4 0.660 88.9 44.0 -99.8 -24.9 14.7 68.6 115.4 101 101 A K E -bd 3 127A 46 -99,-1.0 -97,-2.3 25,-0.2 2,-0.4 -0.987 69.9-171.8-123.8 130.6 12.2 65.8 114.9 102 102 A I E -bd 4 128A 0 25,-2.8 27,-4.0 -2,-0.4 2,-0.4 -0.986 4.2-162.9-125.8 129.3 12.9 62.3 116.2 103 103 A Y E +bd 5 129A 24 -99,-2.6 -97,-1.9 -2,-0.4 2,-0.3 -0.932 14.7 171.3-114.1 134.0 10.8 59.2 115.4 104 104 A V E -bd 6 130A 0 25,-2.4 27,-2.0 -2,-0.4 2,-0.7 -0.967 35.4-119.7-140.7 155.1 11.0 56.0 117.3 105 105 A D E - d 0 131A 14 -99,-0.9 27,-0.2 -2,-0.3 -97,-0.1 -0.870 19.1-161.4 -96.3 118.9 9.2 52.7 117.6 106 106 A S > - 0 0 0 25,-1.0 3,-2.2 -2,-0.7 2,-0.4 0.526 17.3-169.8 -77.6 -9.4 7.9 52.4 121.2 107 107 A A T 3 - 0 0 42 24,-0.4 -1,-0.2 1,-0.3 26,-0.1 -0.353 69.2 -9.7 58.9-109.3 7.4 48.6 120.8 108 108 A D T 3 S+ 0 0 111 -2,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.499 115.9 91.8-100.2 -6.2 5.5 47.4 123.9 109 109 A V S < S- 0 0 32 -3,-2.2 -3,-0.1 1,-0.1 5,-0.0 -0.628 89.8 -89.5 -94.8 151.3 5.6 50.6 125.9 110 110 A D > - 0 0 58 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.332 36.5-134.5 -55.4 126.4 3.0 53.4 126.0 111 111 A P H > S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.899 100.5 50.3 -48.8 -57.3 4.0 56.0 123.3 112 112 A K H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.878 115.4 44.8 -52.8 -43.4 3.6 59.2 125.3 113 113 A R H > S+ 0 0 157 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 112.6 48.9 -69.9 -45.0 5.7 57.7 128.1 114 114 A F H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.913 114.2 47.7 -61.7 -42.5 8.5 56.3 125.9 115 115 A A H X S+ 0 0 14 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.895 109.7 51.4 -65.4 -42.1 8.7 59.7 124.1 116 116 A S H X S+ 0 0 78 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.882 106.6 56.3 -62.4 -37.6 8.8 61.7 127.3 117 117 A L H X S+ 0 0 91 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.905 112.4 40.5 -60.4 -44.3 11.6 59.5 128.5 118 118 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.904 114.0 51.9 -74.1 -41.1 13.7 60.3 125.5 119 119 A K H < S+ 0 0 95 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.931 109.8 51.1 -61.7 -42.0 12.8 63.9 125.4 120 120 A A H < S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.9 45.7 -64.5 -31.1 13.8 64.2 129.0 121 121 A G H < S+ 0 0 27 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.767 87.2 105.4 -84.2 -27.1 17.2 62.6 128.4 122 122 A L < - 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0 0 3 -3,-0.7 3,-0.2 -4,-0.2 -31,-0.1 -0.310 53.2-152.1 -73.9 154.2 5.6 60.0 72.9 308 96 B R S S+ 0 0 150 1,-0.3 2,-0.7 -33,-0.1 -1,-0.1 0.815 93.7 46.6 -88.9 -39.2 3.7 62.7 74.8 309 97 B I S S- 0 0 64 -34,-0.0 -1,-0.3 -73,-0.0 -35,-0.1 -0.924 88.3-143.7-107.4 108.9 6.9 64.2 76.3 310 98 B K - 0 0 98 -2,-0.7 -96,-0.2 -3,-0.2 2,-0.2 -0.534 13.0-135.7 -76.3 134.7 9.5 64.6 73.5 311 99 B P - 0 0 1 0, 0.0 -96,-0.2 0, 0.0 3,-0.1 -0.544 10.6-153.3 -89.7 157.8 13.1 64.0 74.5 312 100 B Q S S+ 0 0 102 -98,-2.9 27,-2.9 1,-0.3 2,-0.4 0.741 88.4 31.1 -93.7 -36.7 16.2 66.2 73.6 313 101 B K E -gi 215 339C 51 -99,-1.2 -97,-2.4 25,-0.2 2,-0.4 -0.994 69.9-163.2-129.3 133.2 18.6 63.3 73.8 314 102 B I E -gi 216 340C 0 25,-3.2 27,-3.5 -2,-0.4 2,-0.4 -0.948 5.0-156.7-118.1 133.0 17.9 59.6 73.1 315 103 B Y E +gi 217 341C 29 -99,-2.6 -97,-1.5 -2,-0.4 2,-0.3 -0.913 22.4 156.9-112.5 135.7 20.1 56.7 74.2 316 104 B V E - i 0 342C 1 25,-2.5 27,-2.2 -2,-0.4 2,-0.6 -0.949 40.5-119.7-149.5 165.8 20.2 53.3 72.5 317 105 B D - 0 0 46 -99,-0.4 27,-0.1 -2,-0.3 25,-0.1 -0.964 18.2-164.2-112.3 119.4 22.2 50.1 71.9 318 106 B S > - 0 0 1 -2,-0.6 3,-2.1 1,-0.2 -1,-0.1 0.528 16.7-176.4 -81.6 -7.5 22.9 49.5 68.2 319 107 B A T 3 S+ 0 0 40 1,-0.3 -1,-0.2 24,-0.1 25,-0.1 -0.194 71.5 6.0 49.3-125.6 24.0 45.9 68.6 320 108 B D T 3 S+ 0 0 137 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.728 117.3 84.9 -58.4 -27.9 25.2 44.6 65.2 321 109 B V S < S- 0 0 41 -3,-2.1 -3,-0.1 1,-0.1 5,-0.0 -0.548 95.0 -97.8 -82.8 144.0 24.9 48.0 63.4 322 110 B D > - 0 0 54 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.397 33.6-133.0 -56.4 128.1 27.7 50.6 63.5 323 111 B P H > S+ 0 0 38 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.850 102.7 52.4 -53.2 -41.1 26.6 53.0 66.3 324 112 B K H > S+ 0 0 143 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.963 114.5 39.8 -62.4 -54.2 27.3 56.1 64.2 325 113 B R H > S+ 0 0 171 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.887 116.6 52.4 -64.2 -37.8 25.2 54.9 61.2 326 114 B F H X S+ 0 0 4 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.962 108.6 48.5 -63.9 -51.5 22.5 53.5 63.6 327 115 B A H X S+ 0 0 14 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.894 112.5 48.9 -55.7 -40.9 22.2 56.8 65.6 328 116 B S H X S+ 0 0 80 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.855 108.4 55.4 -68.3 -33.1 21.9 58.8 62.4 329 117 B L H X S+ 0 0 99 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.928 111.1 42.5 -64.1 -47.5 19.2 56.4 61.2 330 118 B I H >X S+ 0 0 1 -4,-2.2 4,-0.9 1,-0.2 3,-0.7 0.936 113.3 52.7 -64.4 -47.5 17.0 56.8 64.2 331 119 B K H >< S+ 0 0 88 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.871 106.4 53.4 -55.2 -42.8 17.6 60.6 64.2 332 120 B A H 3< S+ 0 0 87 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.761 106.3 53.8 -66.4 -26.2 16.5 60.9 60.6 333 121 B G H << S+ 0 0 29 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.688 87.1 101.4 -82.6 -18.2 13.2 59.0 61.3 334 122 B L << - 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