==== 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 08-JUN-99 1QI7 . COMPND 2 MOLECULE: PROTEIN (N-GLYCOSIDASE); . SOURCE 2 ORGANISM_SCIENTIFIC: SAPONARIA OFFICINALIS; . AUTHOR C.SAVINO,L.FEDERICI,R.IPPOLITI,E.LENDARO,D.TSERNOGLOU . 253 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 1 2 2 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 3 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 V 0 0 81 0, 0.0 2,-0.3 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 143.9 31.2 -1.1 15.3 2 2 A T E -a 51 0A 59 48,-0.6 50,-2.8 24,-0.0 2,-0.4 -0.700 360.0-162.0 -79.2 138.8 30.5 2.5 14.4 3 3 A S E -a 52 0A 65 -2,-0.3 2,-0.4 48,-0.2 50,-0.2 -0.912 10.2-164.8-127.4 147.5 32.6 3.8 11.5 4 4 A I E -a 53 0A 11 48,-2.2 50,-2.5 -2,-0.4 2,-0.5 -0.997 14.1-149.3-127.6 126.3 33.4 7.4 10.4 5 5 A T E -a 54 0A 55 -2,-0.4 2,-0.6 48,-0.2 50,-0.2 -0.856 9.0-161.3-107.9 132.1 34.8 8.1 7.0 6 6 A L E -a 55 0A 5 48,-3.3 50,-2.5 -2,-0.5 2,-0.7 -0.942 16.5-147.8-103.9 120.8 37.1 10.9 6.0 7 7 A D E -a 56 0A 69 -2,-0.6 50,-0.2 48,-0.2 48,-0.1 -0.703 14.5-175.3 -87.0 114.4 37.0 11.4 2.2 8 8 A L + 0 0 6 48,-3.2 2,-0.9 -2,-0.7 49,-0.1 0.253 50.6 107.8 -99.8 18.3 40.5 12.6 1.1 9 9 A V S S- 0 0 69 47,-0.3 -2,-0.1 1,-0.2 48,-0.0 -0.820 111.2 -32.7 -91.8 101.4 39.6 13.1 -2.6 10 10 A N S S- 0 0 150 -2,-0.9 -1,-0.2 1,-0.1 -2,-0.1 0.891 89.3-170.3 48.4 61.7 39.6 16.9 -2.7 11 11 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.279 12.8-135.3 -75.4 161.6 38.3 17.5 0.8 12 12 A T > - 0 0 72 1,-0.1 4,-2.0 180,-0.0 5,-0.2 -0.708 21.8-116.6-114.9 163.8 37.2 20.9 2.2 13 13 A A H > S+ 0 0 35 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.893 117.2 54.8 -62.8 -35.0 38.1 22.4 5.6 14 14 A G H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 107.1 50.0 -66.6 -36.6 34.4 22.3 6.5 15 15 A Q H > S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.880 110.3 49.5 -70.5 -39.0 34.3 18.6 5.8 16 16 A Y H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.926 111.6 49.2 -65.9 -42.9 37.4 17.9 7.9 17 17 A S H X S+ 0 0 29 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.909 110.5 50.2 -62.2 -37.7 35.8 20.0 10.9 18 18 A S H X S+ 0 0 61 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.895 109.1 52.5 -65.6 -37.7 32.6 18.0 10.6 19 19 A F H X S+ 0 0 4 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.934 109.1 49.2 -62.1 -46.7 34.6 14.8 10.6 20 20 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.937 110.1 51.7 -59.4 -45.4 36.4 15.9 13.8 21 21 A D H X S+ 0 0 63 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.838 103.5 57.8 -61.7 -32.3 33.0 16.8 15.4 22 22 A K H X S+ 0 0 104 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.897 106.5 49.5 -64.6 -40.1 31.6 13.3 14.6 23 23 A I H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.2 5,-0.2 0.960 114.4 44.1 -59.1 -52.2 34.5 11.8 16.6 24 24 A R H X S+ 0 0 6 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.917 113.6 51.1 -56.1 -45.6 33.8 14.1 19.5 25 25 A N H < S+ 0 0 92 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.826 107.5 54.3 -66.8 -29.0 30.0 13.5 19.2 26 26 A N H < S+ 0 0 39 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.905 117.8 31.0 -72.7 -38.0 30.4 9.7 19.2 27 27 A V H < S+ 0 0 4 -4,-1.8 16,-3.1 -5,-0.1 -2,-0.2 0.655 96.6 98.8 -96.6 -15.5 32.5 9.4 22.5 28 28 A K B < -F 42 0B 76 -4,-1.6 14,-0.3 14,-0.3 12,-0.0 -0.407 62.2-141.7 -77.7 156.2 31.2 12.3 24.6 29 29 A D > - 0 0 44 12,-2.7 3,-1.5 1,-0.1 12,-0.5 -0.964 11.2-156.5-107.3 113.7 28.6 12.1 27.3 30 30 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 12,-0.0 0.684 86.7 65.9 -68.9 -11.8 26.6 15.3 27.0 31 31 A N T 3 S+ 0 0 148 10,-0.1 2,-0.5 -3,-0.0 -3,-0.0 0.463 86.7 83.2 -85.0 -7.8 25.5 15.0 30.6 32 32 A L < + 0 0 22 -3,-1.5 2,-0.4 9,-0.2 9,-0.3 -0.862 47.6 166.8 -99.7 140.6 29.0 15.6 32.1 33 33 A K - 0 0 121 -2,-0.5 2,-0.4 7,-0.1 3,-0.1 -0.995 14.9-157.9-151.3 135.0 30.6 18.9 32.6 34 34 A Y > + 0 0 1 -2,-0.4 3,-2.0 5,-0.3 5,-0.3 -0.894 66.9 3.2-116.0 144.8 33.7 19.7 34.7 35 35 A G T 3 S- 0 0 0 181,-0.4 187,-2.9 -2,-0.4 188,-0.2 0.680 119.9 -69.3 63.7 16.9 35.1 22.8 36.3 36 36 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.3 185,-0.2 2,-0.2 0.709 105.3 123.5 74.8 19.8 32.0 24.9 35.3 37 37 A T < - 0 0 13 -3,-2.0 -1,-0.3 2,-0.1 -3,-0.2 -0.649 65.9-132.7-107.7 174.1 33.0 24.7 31.6 38 38 A D + 0 0 147 -2,-0.2 2,-0.1 -5,-0.1 3,-0.1 0.179 57.2 135.6-107.0 15.9 31.1 23.5 28.6 39 39 A I - 0 0 14 -5,-0.3 -5,-0.3 1,-0.1 206,-0.1 -0.446 64.1-105.6 -64.2 139.7 34.0 21.4 27.1 40 40 A A - 0 0 25 204,-0.5 206,-2.4 203,-0.2 2,-0.4 -0.327 34.0-151.9 -67.2 141.8 32.8 18.0 26.0 41 41 A V B -g 246 0C 0 -12,-0.5 -12,-2.7 -9,-0.3 -9,-0.2 -0.960 18.9-114.5-118.3 133.1 33.8 15.1 28.2 42 42 A I B -F 28 0B 0 204,-2.4 -14,-0.3 -2,-0.4 207,-0.2 -0.435 39.8-121.4 -61.3 140.3 34.4 11.5 27.0 43 43 A G - 0 0 9 -16,-3.1 205,-0.2 25,-0.2 3,-0.1 -0.153 34.6 -75.8 -82.7 177.4 31.7 9.2 28.6 44 44 A P - 0 0 59 0, 0.0 -1,-0.2 0, 0.0 205,-0.0 -0.233 61.3 -80.2 -64.8 164.7 32.3 6.1 30.8 45 45 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 4,-0.1 -0.234 56.2 171.5 -64.6 151.9 33.5 2.8 29.4 46 46 A S - 0 0 66 2,-0.2 22,-0.1 -3,-0.1 23,-0.1 -0.905 50.5 -88.3-148.2 179.7 30.8 0.6 27.7 47 47 A K S S+ 0 0 199 -2,-0.3 2,-1.4 1,-0.2 3,-0.2 0.660 111.1 79.2 -70.5 -18.3 30.6 -2.6 25.7 48 48 A E + 0 0 73 1,-0.2 -2,-0.2 -47,-0.0 -1,-0.2 -0.768 63.2 164.3 -88.6 89.7 31.0 -0.6 22.5 49 49 A K + 0 0 79 -2,-1.4 19,-2.9 19,-0.1 20,-0.5 0.721 44.5 51.2 -82.0 -31.1 34.7 -0.4 23.0 50 50 A F E - B 0 67A 12 17,-0.2 -48,-0.6 -3,-0.2 2,-0.4 -0.875 54.3-156.9-121.5 153.8 36.0 0.6 19.6 51 51 A L E -aB 2 66A 0 15,-2.5 15,-2.3 -2,-0.3 2,-0.5 -0.981 17.8-143.4-122.8 132.0 35.5 3.2 16.9 52 52 A R E -aB 3 65A 31 -50,-2.8 -48,-2.2 -2,-0.4 2,-0.5 -0.861 11.5-166.8-102.4 129.5 36.5 2.6 13.3 53 53 A I E -aB 4 64A 0 11,-2.9 11,-3.1 -2,-0.5 2,-0.5 -0.963 5.6-159.8-113.0 127.6 37.9 5.5 11.2 54 54 A N E -aB 5 63A 17 -50,-2.5 -48,-3.3 -2,-0.5 2,-0.6 -0.896 5.1-159.6-106.3 130.0 38.2 5.0 7.4 55 55 A F E -aB 6 62A 0 7,-3.3 7,-2.0 -2,-0.5 2,-0.5 -0.936 17.0-163.9-104.5 119.2 40.5 7.2 5.3 56 56 A Q E +aB 7 61A 76 -50,-2.5 -48,-3.2 -2,-0.6 -47,-0.3 -0.916 15.7 166.8-106.4 124.2 39.3 7.0 1.7 57 57 A S E > - B 0 60A 9 3,-2.8 3,-0.9 -2,-0.5 -48,-0.1 -0.621 54.6 -96.3-115.6-172.0 41.4 8.1 -1.3 58 58 A S T 3 S+ 0 0 100 1,-0.2 3,-0.1 -2,-0.2 -49,-0.0 0.709 123.9 53.3 -79.1 -10.6 40.8 7.4 -5.0 59 59 A R T 3 S- 0 0 167 1,-0.3 2,-0.3 95,-0.0 -1,-0.2 0.465 123.1 -65.9 -97.2 -7.3 43.1 4.3 -4.7 60 60 A G E < -B 57 0A 18 -3,-0.9 -3,-2.8 2,-0.0 2,-0.4 -0.912 54.5 -74.1 148.3-176.1 41.5 2.5 -1.8 61 61 A T E -B 56 0A 59 -2,-0.3 2,-0.4 -5,-0.2 18,-0.4 -0.973 24.4-168.3-123.5 140.0 40.8 2.8 2.0 62 62 A V E -B 55 0A 0 -7,-2.0 -7,-3.3 -2,-0.4 2,-0.3 -0.970 19.7-154.2-122.9 133.4 43.0 2.4 5.0 63 63 A S E -BC 54 77A 0 14,-1.9 14,-2.3 -2,-0.4 2,-0.4 -0.858 8.5-159.7-115.3 152.1 41.2 2.2 8.4 64 64 A L E -BC 53 76A 0 -11,-3.1 -11,-2.9 -2,-0.3 2,-0.4 -0.969 9.8-144.9-129.9 140.4 42.3 3.0 11.9 65 65 A G E -BC 52 75A 0 10,-3.0 9,-2.5 -2,-0.4 10,-0.9 -0.910 17.6-176.1-106.9 141.8 40.8 1.7 15.2 66 66 A L E -BC 51 73A 0 -15,-2.3 -15,-2.5 -2,-0.4 2,-0.2 -0.965 30.2-112.5-130.1 147.5 40.5 3.9 18.3 67 67 A K E > -B 50 0A 25 5,-2.9 4,-1.8 -2,-0.3 3,-0.3 -0.504 18.7-146.8 -75.9 140.2 39.3 3.1 21.8 68 68 A R T 4 S+ 0 0 47 -19,-2.9 -25,-0.2 -2,-0.2 -18,-0.1 0.804 92.6 59.5 -80.1 -20.5 36.1 4.9 22.6 69 69 A D T 4 S- 0 0 48 -20,-0.5 179,-0.4 1,-0.1 -1,-0.2 0.754 132.5 -2.2 -82.0 -17.7 36.9 5.3 26.3 70 70 A N T 4 S- 0 0 31 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.343 90.1-114.7-149.1 1.6 40.1 7.3 25.9 71 71 A L < + 0 0 1 -4,-1.8 -3,-0.1 1,-0.2 2,-0.1 0.627 58.9 155.5 64.5 20.7 40.8 7.7 22.1 72 72 A Y - 0 0 110 1,-0.1 -5,-2.9 -6,-0.1 -1,-0.2 -0.439 49.6-104.5 -72.5 154.4 44.0 5.6 22.2 73 73 A V E +C 66 0A 8 -7,-0.2 -7,-0.2 45,-0.2 -1,-0.1 -0.473 40.7 171.9 -81.8 147.4 45.1 3.9 19.0 74 74 A V E - 0 0 0 -9,-2.5 16,-2.7 1,-0.5 2,-0.3 0.690 53.6 -32.6-124.1 -37.1 44.4 0.2 18.8 75 75 A A E -CD 65 89A 1 -10,-0.9 -10,-3.0 14,-0.2 -1,-0.5 -0.977 45.5-132.8-173.8 171.5 45.1 -1.1 15.2 76 76 A Y E -CD 64 88A 4 12,-2.3 12,-2.9 -2,-0.3 2,-0.4 -0.956 10.5-148.1-144.0 155.6 45.1 -0.3 11.5 77 77 A L E +CD 63 87A 6 -14,-2.3 -14,-1.9 -2,-0.3 2,-0.3 -0.994 26.3 155.1-125.5 127.8 43.8 -2.2 8.4 78 78 A A E - D 0 86A 4 8,-2.4 8,-2.0 -2,-0.4 2,-0.3 -0.986 40.6-115.4-150.4 151.7 45.4 -1.9 5.0 79 79 A M E - D 0 85A 53 -18,-0.4 76,-2.1 -2,-0.3 77,-0.9 -0.630 32.8-139.3 -85.0 145.4 45.6 -4.1 1.9 80 80 A D > - 0 0 12 4,-2.0 3,-1.7 75,-0.3 77,-0.2 -0.056 40.4 -76.5 -89.9-170.2 49.1 -5.2 1.0 81 81 A N T 3 S+ 0 0 98 1,-0.3 76,-0.1 75,-0.1 -2,-0.0 0.622 132.0 52.8 -73.6 -0.5 50.6 -5.4 -2.5 82 82 A T T 3 S- 0 0 91 2,-0.2 -1,-0.3 74,-0.1 74,-0.0 0.133 120.1-107.7-111.8 17.6 48.7 -8.6 -3.4 83 83 A N S < S+ 0 0 101 -3,-1.7 2,-0.5 1,-0.2 -2,-0.1 0.813 70.7 145.4 62.9 33.3 45.4 -6.9 -2.4 84 84 A V - 0 0 44 -6,-0.0 -4,-2.0 22,-0.0 2,-0.4 -0.906 52.0-122.4-100.4 133.2 45.0 -9.0 0.8 85 85 A N E -D 79 0A 44 -2,-0.5 2,-0.4 -6,-0.2 22,-0.3 -0.553 34.7-175.7 -73.8 123.8 43.4 -7.2 3.8 86 86 A R E -D 78 0A 75 -8,-2.0 -8,-2.4 -2,-0.4 2,-0.4 -0.987 13.6-153.4-124.3 137.1 45.8 -7.2 6.8 87 87 A A E -De 77 111A 0 23,-1.6 25,-2.9 -2,-0.4 2,-0.4 -0.896 7.0-164.7-113.8 135.5 45.1 -5.9 10.3 88 88 A Y E -De 76 112A 13 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.3 -0.970 16.7-175.2-120.7 127.0 48.0 -4.8 12.5 89 89 A Y E -De 75 113A 23 23,-2.2 25,-3.3 -2,-0.4 2,-0.7 -0.925 33.6-126.0-138.5 156.4 47.4 -4.3 16.2 90 90 A F >> - 0 0 3 -16,-2.7 3,-1.6 -2,-0.3 4,-1.5 -0.857 24.8-149.5 -91.7 115.9 48.7 -3.2 19.6 91 91 A K T 34 S+ 0 0 154 -2,-0.7 -1,-0.1 23,-0.3 26,-0.1 0.810 92.8 59.3 -58.8 -33.3 48.3 -6.1 22.0 92 92 A S T 34 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.762 112.8 40.0 -72.6 -13.9 47.9 -3.9 25.1 93 93 A E T <4 S+ 0 0 25 -3,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.701 124.8 8.0-102.2 -25.2 44.8 -2.2 23.5 94 94 A I < - 0 0 4 -4,-1.5 2,-0.3 -20,-0.2 -1,-0.2 -0.984 63.0-128.6-156.8 156.7 42.9 -5.1 21.7 95 95 A T > - 0 0 69 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.773 32.6-110.3-105.4 163.9 42.9 -8.9 21.4 96 96 A S H > S+ 0 0 39 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.901 118.7 55.8 -58.5 -39.0 42.9 -10.9 18.2 97 97 A A H 4 S+ 0 0 72 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.934 110.3 41.3 -58.9 -49.3 39.3 -12.0 19.0 98 98 A E H >> S+ 0 0 57 1,-0.2 4,-1.6 -3,-0.2 3,-1.1 0.816 105.7 66.8 -73.2 -26.6 37.9 -8.4 19.3 99 99 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.3 -1,-0.2 0.821 92.1 61.1 -65.5 -28.1 39.9 -7.4 16.2 100 100 A T H 3< S+ 0 0 58 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.789 106.4 46.3 -71.2 -20.8 37.8 -9.7 14.1 101 101 A A H <4 S+ 0 0 63 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.772 114.9 46.4 -84.5 -31.1 34.7 -7.6 15.1 102 102 A L H < S+ 0 0 2 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.936 130.8 20.2 -75.5 -47.3 36.5 -4.3 14.5 103 103 A F >< + 0 0 0 -4,-2.9 3,-1.8 -5,-0.1 -1,-0.3 -0.728 67.9 171.2-124.5 84.4 37.9 -5.3 11.1 104 104 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.665 72.9 72.3 -63.7 -26.2 35.8 -8.3 9.9 105 105 A E T 3 S+ 0 0 84 -3,-0.1 2,-0.6 2,-0.0 -20,-0.2 0.673 86.8 71.8 -60.5 -30.2 37.5 -8.1 6.5 106 106 A A S < S- 0 0 3 -3,-1.8 -3,-0.1 -7,-0.2 -20,-0.1 -0.897 75.9-144.3 -96.9 127.2 40.8 -9.5 8.0 107 107 A T > - 0 0 86 -2,-0.6 3,-1.3 -22,-0.3 -20,-0.2 -0.277 32.8 -96.7 -74.9 168.4 40.9 -13.2 8.9 108 108 A T G > S+ 0 0 94 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.892 123.8 49.2 -56.7 -46.6 42.8 -14.5 11.9 109 109 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.679 106.4 59.4 -71.0 -13.1 45.9 -15.5 10.0 110 110 A N G < S+ 0 0 41 -3,-1.3 -23,-1.6 2,-0.0 2,-0.4 0.284 86.5 95.8 -97.9 10.6 45.9 -12.1 8.3 111 111 A Q E < -e 87 0A 25 -3,-1.7 2,-0.4 -25,-0.2 -23,-0.2 -0.838 57.1-167.3 -95.9 141.0 46.2 -10.3 11.7 112 112 A K E -e 88 0A 95 -25,-2.9 -23,-2.2 -2,-0.4 2,-0.4 -0.988 18.1-135.2-131.9 125.3 49.7 -9.3 12.9 113 113 A A E -e 89 0A 31 -2,-0.4 -23,-0.2 -25,-0.2 2,-0.1 -0.659 33.8-116.9 -74.0 128.2 50.6 -8.2 16.4 114 114 A L - 0 0 18 -25,-3.3 -23,-0.3 -2,-0.4 -1,-0.1 -0.417 11.2-139.3 -68.0 148.3 52.9 -5.1 16.2 115 115 A E S S+ 0 0 113 -2,-0.1 2,-0.2 -25,-0.1 -1,-0.1 0.462 81.5 56.2 -85.9 -7.5 56.4 -5.5 17.6 116 116 A Y S S- 0 0 17 1,-0.0 2,-0.1 7,-0.0 -2,-0.1 -0.771 86.7-103.3-122.7 166.7 56.5 -2.1 19.2 117 117 A T - 0 0 72 -2,-0.2 6,-0.1 -27,-0.1 -2,-0.1 -0.417 25.3-116.5 -91.1 165.0 54.3 -0.3 21.7 118 118 A E S S+ 0 0 41 -2,-0.1 -45,-0.2 4,-0.1 -1,-0.1 0.485 76.2 112.3 -81.7 2.0 51.7 2.5 21.1 119 119 A D S > S- 0 0 74 1,-0.1 4,-2.0 4,-0.0 3,-0.2 -0.434 79.1-117.2 -71.3 151.4 53.5 5.3 23.1 120 120 A Y H > S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.896 111.1 59.6 -56.7 -44.7 54.8 8.0 20.8 121 121 A Q H > S+ 0 0 157 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 108.7 43.8 -50.1 -49.1 58.4 7.4 21.8 122 122 A S H > S+ 0 0 21 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 114.7 47.3 -67.2 -39.1 58.3 3.8 20.5 123 123 A I H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.942 112.3 52.0 -66.1 -41.7 56.4 4.6 17.3 124 124 A E H X>S+ 0 0 19 -4,-3.1 5,-0.6 1,-0.2 4,-0.5 0.902 105.7 53.2 -61.9 -38.8 58.9 7.5 16.7 125 125 A K H ><5S+ 0 0 164 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.918 110.8 48.3 -60.6 -43.8 61.9 5.2 17.1 126 126 A N H 3<5S+ 0 0 36 -4,-2.0 38,-0.2 1,-0.2 -1,-0.2 0.737 103.3 61.4 -70.3 -17.4 60.3 2.9 14.5 127 127 A A H 3<5S- 0 0 0 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.591 98.1-140.6 -81.4 -11.9 59.7 5.8 12.1 128 128 A Q T <<5 - 0 0 125 -3,-1.2 2,-0.7 -4,-0.5 -3,-0.1 0.938 24.6-174.3 51.0 63.0 63.4 6.5 12.0 129 129 A I < + 0 0 9 -5,-0.6 -1,-0.2 5,-0.4 -2,-0.1 -0.830 9.9 179.0 -91.4 116.0 63.3 10.3 12.0 130 130 A T + 0 0 135 -2,-0.7 -1,-0.2 8,-0.0 2,-0.1 0.700 49.7 86.0 -95.6 -14.0 66.8 11.6 11.5 131 131 A Q S > S- 0 0 127 4,-0.1 3,-2.2 2,-0.1 7,-0.2 -0.329 92.8 -29.7 -86.8 163.6 66.2 15.4 11.6 132 132 A G T 3 S- 0 0 63 1,-0.3 -3,-0.0 2,-0.1 5,-0.0 0.077 127.2 -5.9 38.0-125.9 66.0 17.8 14.5 133 133 A D T 3 S- 0 0 79 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.482 90.3-122.8 -76.9 -1.6 64.8 16.4 17.8 134 134 A K S < S+ 0 0 141 -3,-2.2 -5,-0.4 1,-0.2 2,-0.2 0.645 73.4 115.3 70.2 17.9 64.0 13.0 16.2 135 135 A S S > S- 0 0 16 -4,-0.2 3,-1.4 1,-0.0 4,-0.3 -0.566 86.6 -90.8-106.7 178.0 60.3 13.2 17.3 136 136 A R G >> S+ 0 0 13 1,-0.3 3,-1.8 -2,-0.2 4,-0.7 0.759 114.9 79.1 -58.8 -24.5 57.0 13.4 15.3 137 137 A K G >4 S+ 0 0 34 1,-0.3 3,-1.2 2,-0.2 60,-0.7 0.925 86.3 57.5 -55.8 -39.8 57.3 17.1 15.6 138 138 A E G <4 S+ 0 0 59 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.687 96.7 63.2 -66.4 -16.0 59.8 17.1 12.7 139 139 A L G <4 S- 0 0 16 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.659 95.3-145.8 -81.7 -19.5 57.3 15.4 10.3 140 140 A G << - 0 0 4 -3,-1.2 2,-0.3 -4,-0.7 56,-0.2 -0.305 8.6-107.3 85.1-171.9 54.8 18.2 10.3 141 141 A L B +H 195 0D 0 54,-2.1 54,-2.4 52,-0.1 2,-0.1 -0.864 50.9 113.0-144.3 175.2 51.0 17.9 10.1 142 142 A G > - 0 0 1 -2,-0.3 4,-2.1 52,-0.2 52,-0.2 -0.403 68.1 -90.6 129.3 152.2 48.4 18.6 7.4 143 143 A I H > S+ 0 0 4 50,-0.4 4,-2.5 1,-0.2 50,-0.2 0.924 121.9 52.1 -61.7 -45.4 45.9 16.9 5.1 144 144 A D H > S+ 0 0 66 48,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.866 109.4 50.8 -62.4 -36.6 48.3 16.5 2.2 145 145 A L H > S+ 0 0 2 47,-0.2 4,-2.2 2,-0.2 5,-0.2 0.914 108.9 50.9 -66.8 -39.4 50.8 14.8 4.5 146 146 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.944 111.1 50.1 -60.7 -42.7 48.1 12.4 5.8 147 147 A L H X S+ 0 0 52 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.924 111.1 47.2 -63.2 -45.5 47.3 11.5 2.2 148 148 A T H X S+ 0 0 82 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.893 115.6 44.4 -66.0 -40.4 50.9 10.9 1.2 149 149 A F H < S+ 0 0 33 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.843 112.3 52.8 -71.0 -35.2 51.6 8.7 4.2 150 150 A M H >X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 3,-1.6 0.924 108.0 51.7 -63.2 -44.6 48.3 6.8 3.8 151 151 A E H 3< S+ 0 0 31 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.820 99.1 63.9 -67.2 -24.8 49.2 6.1 0.2 152 152 A A T 3< S+ 0 0 27 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.689 114.0 33.2 -73.5 -13.7 52.6 4.7 1.2 153 153 A V T X4 S+ 0 0 12 -3,-1.6 3,-1.2 -4,-0.5 2,-0.6 0.629 92.8 102.8-108.7 -17.5 50.7 1.9 3.1 154 154 A N T 3< S- 0 0 6 -4,-1.8 -74,-0.1 1,-0.3 3,-0.1 -0.530 107.2 -17.4 -73.6 112.4 47.7 1.5 0.8 155 155 A K T 3 S+ 0 0 73 -76,-2.1 2,-0.3 -2,-0.6 -1,-0.3 0.865 112.9 117.3 59.5 44.5 48.2 -1.7 -1.3 156 156 A K S < S- 0 0 103 -3,-1.2 -1,-0.3 -77,-0.9 -75,-0.1 -0.903 75.4 -90.1-134.8 160.1 51.9 -1.8 -0.6 157 157 A A - 0 0 52 -2,-0.3 2,-0.2 -77,-0.2 -78,-0.0 -0.440 57.7 -95.2 -68.1 146.9 54.2 -4.2 1.0 158 158 A R + 0 0 71 -2,-0.1 2,-0.4 4,-0.0 -1,-0.1 -0.489 45.0 179.2 -68.6 132.3 54.6 -3.5 4.8 159 159 A V >> - 0 0 72 -2,-0.2 4,-2.7 1,-0.1 3,-0.7 -0.975 25.7-141.8-136.3 115.1 57.6 -1.3 5.6 160 160 A V H 3> S+ 0 0 48 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.831 99.7 52.4 -50.9 -41.9 58.0 -0.4 9.3 161 161 A K H 3> S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.898 112.9 44.0 -62.3 -44.2 59.2 3.1 8.6 162 162 A N H <> S+ 0 0 51 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.901 115.4 49.4 -65.3 -43.2 56.2 3.9 6.4 163 163 A E H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.941 112.2 46.3 -60.6 -48.1 53.8 2.3 8.8 164 164 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -38,-0.2 -37,-0.2 0.878 113.0 50.0 -64.8 -38.0 55.1 4.1 11.8 165 165 A R H X S+ 0 0 47 -4,-1.9 4,-2.0 -5,-0.2 5,-0.2 0.928 110.2 50.9 -67.0 -41.2 55.1 7.4 10.0 166 166 A F H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.946 110.5 49.3 -59.4 -51.8 51.5 6.8 8.9 167 167 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.921 107.1 54.4 -53.5 -48.2 50.5 6.0 12.5 168 168 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.927 116.5 37.8 -56.1 -41.9 52.1 9.2 13.9 169 169 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.919 115.9 51.3 -75.0 -43.5 50.2 11.4 11.4 170 170 A A H < S+ 0 0 0 -4,-3.2 4,-0.4 -5,-0.2 5,-0.3 0.906 110.2 49.0 -65.8 -38.9 46.9 9.5 11.5 171 171 A I H >X>S+ 0 0 12 -4,-2.8 5,-1.8 -5,-0.2 3,-1.2 0.929 114.0 45.7 -64.2 -45.0 46.7 9.5 15.3 172 172 A Q H 3<>S+ 0 0 2 -4,-1.3 5,-1.0 -5,-0.4 -1,-0.2 0.890 111.4 53.2 -65.4 -35.7 47.4 13.3 15.5 173 173 A M T 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.409 124.5 22.5 -85.2 8.4 45.0 14.0 12.8 174 174 A T T <>5S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.4 -3,-0.2 0.473 131.9 25.2-132.3 -73.2 42.1 12.1 14.5 175 175 A A H X5S+ 0 0 0 -4,-0.8 4,-1.9 -5,-0.3 -3,-0.2 0.921 124.6 45.6 -70.8 -41.2 42.4 11.7 18.2 176 176 A E H >X -I 243 0E 0 -4,-2.3 4,-1.8 63,-0.3 3,-0.7 -0.931 53.6-169.0-125.3 111.7 42.7 19.9 21.2 181 181 A R H 3> S+ 0 0 88 61,-2.0 4,-2.9 -2,-0.5 5,-0.2 0.785 88.5 68.5 -68.7 -24.5 41.2 22.7 19.1 182 182 A Y H 3> S+ 0 0 35 60,-0.7 4,-1.5 59,-0.4 -1,-0.3 0.929 105.7 41.5 -54.7 -46.3 44.5 24.5 18.9 183 183 A I H <> S+ 0 0 0 -3,-0.7 4,-2.0 -7,-0.2 -2,-0.2 0.937 112.8 53.0 -70.3 -43.0 45.7 21.6 16.7 184 184 A Q H X S+ 0 0 14 -4,-1.8 4,-2.1 -7,-0.3 5,-0.2 0.907 108.6 51.0 -53.2 -47.8 42.5 21.4 14.7 185 185 A N H X S+ 0 0 55 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.859 105.9 55.6 -63.6 -32.9 42.7 25.2 14.0 186 186 A L H X S+ 0 0 16 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.929 108.8 46.7 -62.7 -45.5 46.3 24.8 12.7 187 187 A V H < S+ 0 0 1 -4,-2.0 -44,-0.2 1,-0.2 -2,-0.2 0.918 115.9 46.8 -59.8 -46.3 45.1 22.1 10.2 188 188 A T H >< S+ 0 0 48 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.902 108.9 52.2 -62.2 -46.7 42.2 24.4 9.2 189 189 A K H 3< S+ 0 0 150 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 119.0 37.4 -61.4 -32.3 44.2 27.6 8.8 190 190 A N T >< S- 0 0 62 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 0.248 97.7-168.2-104.6 13.0 46.7 25.8 6.5 191 191 A F T < - 0 0 41 -3,-1.0 -178,-0.1 1,-0.3 -3,-0.1 -0.289 62.2 -5.8 -54.2 132.2 44.2 23.7 4.7 192 192 A P T 3 S+ 0 0 45 0, 0.0 -48,-2.5 0, 0.0 -1,-0.3 -0.948 108.8 98.5 -98.3 11.0 45.0 21.4 2.9 193 193 A N S < S- 0 0 88 -3,-1.8 -50,-0.4 -50,-0.2 2,-0.2 -0.159 74.0-106.4 -68.5 161.5 48.8 21.9 3.0 194 194 A K + 0 0 129 -52,-0.2 2,-0.3 -51,-0.1 -52,-0.2 -0.541 47.7 177.7 -70.6 142.1 51.5 20.2 5.0 195 195 A F B -H 141 0D 22 -54,-2.4 -54,-2.1 -2,-0.2 2,-0.1 -0.928 32.7 -86.2-148.5 161.5 52.8 22.7 7.7 196 196 A D - 0 0 146 -2,-0.3 -58,-0.1 -56,-0.2 2,-0.1 -0.484 34.0-139.7 -71.2 145.6 55.3 22.7 10.5 197 197 A S - 0 0 15 -60,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.251 22.4-154.3 -88.0 178.8 54.3 21.4 13.9 198 198 A D > - 0 0 54 -2,-0.1 4,-1.2 -58,-0.0 3,-0.2 -0.896 32.4 -93.3-146.5 178.4 55.6 23.4 17.0 199 199 A N H > S+ 0 0 97 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.789 119.4 63.9 -70.6 -26.1 56.3 22.7 20.7 200 200 A K H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.933 100.7 51.3 -65.6 -37.7 52.9 23.8 21.7 201 201 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 113.3 44.6 -58.1 -51.8 51.3 20.9 19.7 202 202 A I H X S+ 0 0 31 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.935 112.0 53.4 -60.1 -45.1 53.7 18.5 21.5 203 203 A Q H X S+ 0 0 49 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.891 109.2 47.5 -61.9 -43.4 53.0 20.1 24.9 204 204 A F H >< S+ 0 0 0 -4,-2.7 3,-1.2 -5,-0.2 4,-0.3 0.960 109.9 54.6 -58.3 -51.6 49.2 19.8 24.5 205 205 A E H >< S+ 0 0 13 -4,-2.2 3,-0.8 1,-0.3 -2,-0.2 0.888 110.8 43.1 -54.2 -39.7 49.6 16.1 23.5 206 206 A V H 3< S+ 0 0 106 -4,-2.3 -1,-0.3 1,-0.2 4,-0.2 0.602 113.4 54.1 -85.0 -4.4 51.6 15.1 26.6 207 207 A S T S+ 0 0 15 -3,-0.8 4,-2.4 -4,-0.3 39,-0.3 0.896 85.7 43.0 -54.2 -47.1 45.9 15.8 28.2 209 209 A R H > S+ 0 0 180 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.911 114.1 48.3 -68.2 -45.6 45.6 14.1 31.6 210 210 A K H > S+ 0 0 137 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.856 114.3 48.9 -63.4 -37.4 47.1 17.0 33.6 211 211 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.952 112.2 47.3 -62.4 -48.6 44.8 19.4 31.8 212 212 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.910 113.7 46.2 -62.2 -43.7 41.7 17.3 32.4 213 213 A T H X S+ 0 0 61 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.841 110.7 53.2 -72.1 -29.1 42.4 16.6 36.1 214 214 A A H X S+ 0 0 4 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.876 111.8 45.2 -69.7 -38.7 43.2 20.3 36.8 215 215 A I H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.929 116.1 47.5 -68.1 -44.6 39.9 21.4 35.2 216 216 A Y H < S+ 0 0 65 -4,-2.3 -181,-0.4 -5,-0.2 37,-0.3 0.910 130.7 16.4 -59.1 -55.5 38.0 18.7 37.1 217 217 A G H < S+ 0 0 58 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.495 130.2 37.2-104.3 -1.6 39.5 19.4 40.5 218 218 A D H < S+ 0 0 24 -4,-2.2 7,-2.7 -5,-0.2 8,-0.4 0.063 96.9 83.5-139.3 23.5 41.2 22.8 40.5 219 219 A A E < -J 224 0F 9 -4,-0.6 2,-0.4 5,-0.3 5,-0.2 -0.967 47.9-171.1-130.9 144.4 38.9 25.0 38.4 220 220 A K E > S-J 223 0F 114 3,-2.5 3,-2.1 -2,-0.3 -184,-0.1 -0.995 77.3 -12.0-137.7 126.7 35.7 26.9 39.3 221 221 A N T 3 S- 0 0 119 -2,-0.4 -185,-0.2 1,-0.3 -1,-0.1 0.902 131.3 -51.1 51.5 44.1 33.5 28.6 36.7 222 222 A G T 3 S+ 0 0 15 -187,-2.9 16,-2.5 1,-0.2 17,-0.5 0.605 116.7 107.1 75.5 8.6 36.3 28.1 34.1 223 223 A V E < -JK 220 237F 37 -3,-2.1 -3,-2.5 -188,-0.2 14,-0.2 -0.969 67.2-126.8-129.4 133.3 39.1 29.6 36.1 224 224 A F E -J 219 0F 0 12,-2.8 -5,-0.3 -2,-0.4 -9,-0.1 -0.507 17.9-127.6 -71.8 144.4 42.0 27.7 37.7 225 225 A N E S+ 0 0 90 -7,-2.7 2,-0.3 -2,-0.1 -1,-0.1 0.664 92.3 5.9 -66.4 -20.2 42.5 28.3 41.4 226 226 A K E S- 0 0 111 -8,-0.4 2,-0.1 9,-0.1 9,-0.0 -0.944 99.8 -69.0-151.7 171.7 46.2 29.0 40.6 227 227 A D E - 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