==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-OCT-12 4HMC . COMPND 2 MOLECULE: CHITINASE 60; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO MARINUS; . AUTHOR P.H.MALECKI,C.E.VORGIAS,J.E.RACZYNSKA,W.RYPNIEWSKI . 528 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 13.6 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 . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 1 0 0 0 0 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 4 2 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 PARALLEL BRIDGES PER LADDER . 6 3 3 3 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 3 0 0 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 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 23 A G 0 0 62 0, 0.0 2,-0.1 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 173.6 -2.8 25.8 1.4 2 24 A T - 0 0 115 1,-0.1 2,-0.8 78,-0.1 158,-0.0 -0.277 360.0 -49.2-100.8-170.7 -4.4 22.7 3.0 3 25 A I - 0 0 30 -2,-0.1 2,-0.6 152,-0.1 158,-0.3 -0.519 58.8-170.2 -70.8 105.5 -4.2 21.1 6.6 4 26 A T + 0 0 27 -2,-0.8 2,-0.2 83,-0.1 85,-0.2 -0.872 8.2 175.4-102.0 109.8 -0.5 20.9 7.2 5 27 A S - 0 0 33 -2,-0.6 2,-0.5 83,-0.1 157,-0.1 -0.730 26.9-118.8-110.5 166.2 0.5 18.8 10.4 6 28 A Q + 0 0 27 -2,-0.2 4,-0.1 1,-0.1 81,-0.0 -0.884 22.8 179.1-107.9 135.3 4.0 17.9 11.6 7 29 A D + 0 0 124 -2,-0.5 -1,-0.1 2,-0.1 2,-0.1 0.608 69.9 53.4-102.0 -16.9 5.2 14.3 12.0 8 30 A D S S- 0 0 90 1,-0.3 312,-0.1 313,-0.1 309,-0.1 -0.280 106.7 -49.9-105.2-166.6 8.7 15.1 13.3 9 31 A N - 0 0 12 310,-0.3 2,-0.3 308,-0.2 -1,-0.3 -0.212 58.0-145.8 -62.4 163.3 10.0 17.2 16.2 10 32 A V E -a 285 0A 0 274,-2.0 276,-1.3 -3,-0.1 2,-0.5 -0.910 20.2-158.4-129.7 151.5 8.7 20.7 16.4 11 33 A V E -a 286 0A 0 -2,-0.3 32,-1.1 29,-0.2 31,-0.8 -0.980 30.1-160.1-123.7 110.4 10.0 24.1 17.6 12 34 A V E -ab 287 43A 0 274,-2.1 276,-1.9 -2,-0.5 2,-0.4 -0.764 12.0-177.7 -98.2 144.7 6.8 26.0 18.4 13 35 A G E -ab 288 44A 0 30,-2.5 32,-2.0 -2,-0.4 2,-0.2 -0.999 19.4-132.4-145.7 135.4 6.7 29.7 18.5 14 36 A Y E - b 0 45A 1 274,-1.7 277,-2.7 -2,-0.4 278,-0.7 -0.619 13.8-148.0 -91.0 150.7 3.8 32.1 19.4 15 37 A W E - b 0 46A 0 30,-2.6 32,-2.2 -2,-0.2 2,-0.3 -0.954 14.8-129.4-124.9 115.6 2.9 35.1 17.4 16 38 A H E - b 0 47A 2 -2,-0.5 2,-0.6 14,-0.2 16,-0.4 -0.538 4.3-153.7 -70.7 123.4 1.5 38.2 19.0 17 39 A N S S+ 0 0 13 30,-2.2 2,-0.3 -2,-0.3 -1,-0.1 -0.360 78.9 57.1 -77.7 46.1 -1.7 39.5 17.3 18 40 A W S S- 0 0 78 -2,-0.6 2,-0.3 47,-0.1 3,-0.2 -0.948 82.5-109.9-165.7 166.5 -0.8 43.0 18.6 19 41 A a S S+ 0 0 37 -2,-0.3 -2,-0.1 1,-0.2 49,-0.1 -0.706 78.1 7.9-106.9 150.8 2.1 45.5 18.5 20 42 A D - 0 0 97 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.871 66.7-171.8 55.7 49.9 4.7 46.7 20.9 21 43 A G E -K 29 0B 13 8,-2.2 8,-2.2 -3,-0.2 2,-0.3 -0.471 22.9-120.7 -67.2 146.9 4.3 44.5 23.9 22 44 A R E -K 28 0B 221 6,-0.2 6,-0.2 -2,-0.1 2,-0.1 -0.724 25.3-128.9 -94.6 140.7 6.3 45.5 27.0 23 45 A G > - 0 0 13 4,-2.4 3,-1.6 -2,-0.3 234,-0.2 -0.403 21.1-113.1 -88.2 161.9 8.8 43.1 28.5 24 46 A Y T 3 S+ 0 0 133 232,-2.2 232,-0.2 1,-0.3 -1,-0.1 0.711 121.4 44.1 -62.2 -21.7 9.1 41.9 32.0 25 47 A Q T 3 S- 0 0 113 231,-0.1 274,-0.4 233,-0.0 -1,-0.3 -0.040 129.4 -88.8-117.0 33.8 12.4 43.8 31.9 26 48 A G S < S+ 0 0 59 -3,-1.6 -2,-0.1 1,-0.2 230,-0.1 0.446 87.3 131.4 83.4 1.6 11.4 47.1 30.1 27 49 A G - 0 0 5 -5,-0.1 -4,-2.4 273,-0.1 2,-0.4 -0.117 50.8-121.3 -84.2-177.0 12.1 45.6 26.6 28 50 A N E -KL 22 297B 48 269,-2.4 269,-3.0 -6,-0.2 -6,-0.2 -0.994 12.4-161.6-136.3 135.2 9.8 45.8 23.5 29 51 A A E -K 21 0B 0 -8,-2.2 -8,-2.2 -2,-0.4 264,-0.1 -0.914 18.3-157.3-114.7 99.7 8.2 43.2 21.3 30 52 A P - 0 0 39 0, 0.0 -14,-0.2 0, 0.0 265,-0.1 -0.307 27.1-102.6 -66.5 153.0 7.1 44.6 17.9 31 53 A a - 0 0 31 36,-0.1 2,-0.3 -16,-0.1 -12,-0.1 -0.455 43.4-159.3 -67.3 147.1 4.4 42.9 15.8 32 54 A V - 0 0 15 -16,-0.4 2,-0.2 -2,-0.1 260,-0.1 -0.990 20.3-108.9-133.7 146.1 5.9 41.0 12.9 33 55 A E > - 0 0 63 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.492 32.3-122.0 -61.6 142.8 4.6 39.8 9.6 34 56 A L G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.773 110.4 62.6 -52.1 -36.4 4.3 36.0 9.5 35 57 A K G 3 S+ 0 0 128 1,-0.3 -1,-0.3 4,-0.0 -2,-0.0 0.613 94.7 61.6 -73.1 -13.9 6.5 35.8 6.6 36 58 A T G < S+ 0 0 65 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.525 77.9 112.6 -87.1 0.3 9.4 37.2 8.6 37 59 A V S < S- 0 0 5 -3,-1.5 255,-0.0 -4,-0.2 -22,-0.0 -0.535 81.7 -97.5 -78.5 135.0 9.4 34.3 11.2 38 60 A N > - 0 0 30 -2,-0.3 3,-2.3 1,-0.1 -1,-0.1 -0.136 27.5-127.7 -56.5 132.6 12.4 32.1 11.1 39 61 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.771 104.1 71.5 -56.0 -26.0 11.9 29.0 9.0 40 62 A Q T 3 S+ 0 0 74 2,-0.1 2,-1.2 1,-0.1 -29,-0.2 0.684 75.9 85.6 -69.8 -17.2 13.1 26.8 11.9 41 63 A Y < + 0 0 2 -3,-2.3 -29,-0.2 1,-0.2 3,-0.1 -0.734 58.1 175.2 -74.3 96.6 9.8 27.7 13.8 42 64 A N + 0 0 17 -2,-1.2 46,-2.9 -31,-0.8 2,-0.4 0.398 67.2 47.0 -89.2 -2.6 7.7 24.9 12.1 43 65 A V E -bc 12 88A 0 -32,-1.1 -30,-2.5 44,-0.2 2,-0.5 -0.954 68.6-176.7-132.0 120.2 4.7 25.5 14.3 44 66 A V E -bc 13 89A 0 44,-2.7 46,-1.8 -2,-0.4 2,-0.7 -0.983 12.7-152.4-121.2 124.6 3.6 29.1 14.7 45 67 A N E -bc 14 90A 0 -32,-2.0 -30,-2.6 -2,-0.5 2,-0.4 -0.844 10.7-137.8-106.1 113.7 0.6 29.8 17.0 46 68 A I E -bc 15 91A 0 44,-2.4 46,-3.1 -2,-0.7 2,-0.5 -0.509 33.2-116.0 -68.7 122.6 -1.5 32.8 16.3 47 69 A S E +bc 16 92A 0 -32,-2.2 -30,-2.2 -2,-0.4 46,-0.1 -0.919 69.1 8.8-114.1 116.2 -2.3 34.5 19.6 48 70 A F E + 0 0 27 44,-0.7 2,-0.5 -2,-0.5 15,-0.4 0.602 33.2 180.0-144.8 153.3 -5.2 34.6 20.6 49 71 A M E + c 0 93A 0 43,-2.9 45,-2.5 -3,-0.3 2,-0.3 -0.776 48.0 132.9 -77.9 129.6 -8.6 33.4 19.9 50 72 A K B -N 61 0C 68 11,-2.6 11,-3.3 -2,-0.5 2,-0.7 -0.937 62.4 -69.0-164.0 174.9 -10.9 34.9 22.7 51 73 A V - 0 0 5 47,-2.5 3,-0.2 9,-0.3 49,-0.1 -0.806 39.4-176.7 -85.1 121.7 -14.1 36.7 23.5 52 74 A Y S S+ 0 0 70 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.735 71.8 3.8 -85.7 -30.9 -13.8 40.2 22.1 53 75 A D > - 0 0 79 4,-0.2 3,-2.9 46,-0.1 -1,-0.3 -0.823 58.9-142.6-163.8 113.9 -17.0 41.6 23.4 54 76 A I G > S+ 0 0 108 1,-0.3 3,-2.1 -2,-0.3 5,-0.1 0.742 100.1 73.0 -52.7 -23.9 -19.5 39.8 25.6 55 77 A A G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.574 89.9 59.4 -70.3 -12.0 -22.2 41.6 23.6 56 78 A E G < S- 0 0 122 -3,-2.9 -1,-0.3 1,-0.4 3,-0.2 0.394 119.0-109.8 -88.7 1.3 -21.3 39.2 20.7 57 79 A G < - 0 0 34 -3,-2.1 -1,-0.4 -4,-0.2 -4,-0.2 -0.515 42.5 -58.4 101.0-167.6 -22.2 36.2 23.0 58 80 A R S S+ 0 0 109 -2,-0.2 43,-0.3 -3,-0.1 -1,-0.2 0.637 95.3 100.9 -91.9 -19.2 -20.0 33.5 24.7 59 81 A I - 0 0 43 -3,-0.2 -9,-0.1 41,-0.1 41,-0.0 -0.580 69.4-132.1 -78.2 120.0 -18.3 31.9 21.8 60 82 A P + 0 0 1 0, 0.0 -9,-0.3 0, 0.0 2,-0.2 -0.311 29.5 179.2 -71.0 157.4 -14.7 33.1 21.3 61 83 A T B -N 50 0C 14 -11,-3.3 -11,-2.6 -13,-0.1 2,-0.4 -0.756 25.9-104.8-141.4-175.3 -13.4 34.2 18.0 62 84 A F + 0 0 7 -2,-0.2 2,-0.4 -13,-0.2 -13,-0.1 -0.977 27.1 175.5-122.9 128.6 -10.4 35.6 16.2 63 85 A K - 0 0 77 -2,-0.4 -2,-0.0 -15,-0.4 2,-0.0 -0.951 26.9-132.3-133.1 116.6 -9.9 39.1 14.9 64 86 A L - 0 0 11 -2,-0.4 8,-0.1 1,-0.1 -46,-0.0 -0.296 22.5-118.9 -63.0 137.8 -6.7 40.2 13.4 65 87 A D > - 0 0 43 1,-0.2 3,-2.0 2,-0.0 5,-0.4 -0.704 20.2-151.6 -78.2 121.0 -5.2 43.5 14.6 66 88 A P G > S+ 0 0 103 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.734 87.8 72.1 -72.6 -14.1 -5.1 45.7 11.6 67 89 A T G 3 S+ 0 0 96 1,-0.3 -36,-0.1 2,-0.2 -49,-0.1 0.542 75.6 78.3 -79.1 -5.3 -2.2 47.7 12.8 68 90 A I G < S- 0 0 7 -3,-2.0 -1,-0.3 2,-0.2 3,-0.1 0.614 109.5-124.3 -73.5 -7.1 0.0 44.7 12.2 69 91 A A S < S+ 0 0 81 -3,-1.8 2,-0.5 1,-0.2 -2,-0.2 0.697 71.1 125.8 74.8 22.6 -0.3 46.1 8.6 70 92 A L - 0 0 7 -5,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 -0.963 53.0-142.5-109.3 118.0 -1.7 42.8 7.2 71 93 A S > - 0 0 72 -2,-0.5 4,-2.4 -3,-0.1 5,-0.2 -0.240 33.5-104.6 -58.5 163.9 -5.0 42.9 5.3 72 94 A E H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.975 123.9 48.1 -54.8 -51.0 -7.2 39.8 5.9 73 95 A A H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.830 111.0 49.6 -60.4 -37.9 -6.3 38.5 2.4 74 96 A E H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 109.3 51.9 -72.0 -42.8 -2.6 39.1 2.9 75 97 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.949 109.7 49.2 -53.7 -50.6 -2.7 37.3 6.3 76 98 A I H X S+ 0 0 54 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.928 110.7 52.7 -55.1 -39.9 -4.4 34.3 4.6 77 99 A A H X S+ 0 0 37 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.888 106.8 49.6 -67.0 -39.9 -1.6 34.5 2.0 78 100 A Q H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.844 109.5 53.2 -69.0 -30.6 1.3 34.4 4.5 79 101 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.938 108.5 50.5 -63.1 -43.2 -0.4 31.4 6.1 80 102 A D H X S+ 0 0 71 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.904 106.8 53.5 -62.2 -46.6 -0.4 29.9 2.7 81 103 A T H X S+ 0 0 56 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.957 109.6 48.6 -51.4 -47.2 3.3 30.6 2.3 82 104 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.7 0.943 111.6 49.9 -61.6 -45.9 4.1 28.9 5.6 83 105 A N H ><5S+ 0 0 10 -4,-2.7 3,-2.9 1,-0.3 -1,-0.2 0.903 105.5 55.0 -57.6 -43.7 2.0 25.9 4.6 84 106 A S H 3<5S+ 0 0 93 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.784 104.3 56.0 -67.8 -22.3 3.7 25.5 1.2 85 107 A Q T <<5S- 0 0 103 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.286 124.8-107.8 -81.0 9.2 7.0 25.4 3.2 86 108 A G T < 5S+ 0 0 40 -3,-2.9 2,-0.3 1,-0.2 -3,-0.2 0.626 77.2 135.3 74.9 14.7 5.5 22.5 5.1 87 109 A R < - 0 0 13 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.684 49.6-126.8-100.9 151.4 5.1 24.6 8.3 88 110 A S E -c 43 0A 0 -46,-2.9 -44,-2.7 -2,-0.3 2,-0.4 -0.744 12.6-163.4 -99.8 144.4 2.0 24.6 10.6 89 111 A V E -c 44 0A 0 -2,-0.3 35,-3.9 -85,-0.2 36,-0.5 -0.992 15.6-172.9-123.4 119.6 -0.1 27.6 11.8 90 112 A L E -cd 45 125A 0 -46,-1.8 -44,-2.4 -2,-0.4 2,-0.5 -0.740 25.6-125.0-109.1 154.8 -2.4 27.0 14.8 91 113 A I E -cd 46 126A 1 34,-3.0 36,-2.1 -2,-0.3 2,-0.8 -0.898 26.1-141.6 -98.7 125.0 -4.9 29.2 16.4 92 114 A A E -cd 47 127A 0 -46,-3.1 -43,-2.9 -2,-0.5 -44,-0.7 -0.840 11.8-152.7 -90.4 115.2 -4.1 29.6 20.1 93 115 A L E +cd 49 128A 2 34,-2.9 36,-3.0 -2,-0.8 2,-0.5 -0.712 60.6 13.3 -85.0 123.7 -7.3 29.7 22.2 94 116 A G E + d 0 129A 1 -45,-2.5 36,-0.3 -2,-0.5 -43,-0.1 -0.957 55.2 155.0 123.5-130.6 -7.0 31.6 25.5 95 117 A G E > - d 0 130A 8 34,-3.0 3,-0.8 -2,-0.5 36,-0.6 -0.083 62.1 -28.2 76.9-179.3 -4.4 34.0 26.8 96 118 A A T 3 S+ 0 0 74 1,-0.2 -2,-0.1 2,-0.1 34,-0.0 -0.304 126.6 4.3 -72.7 141.7 -4.9 36.7 29.3 97 119 A D T 3 S+ 0 0 109 1,-0.1 -1,-0.2 -47,-0.0 -2,-0.0 0.855 76.9 152.0 61.2 38.9 -8.2 38.3 29.8 98 120 A A < - 0 0 0 -3,-0.8 -47,-2.5 2,-0.1 -1,-0.1 0.576 42.9-145.5 -78.9 -14.6 -9.9 36.0 27.3 99 121 A H + 0 0 84 1,-0.2 2,-0.8 -49,-0.1 -46,-0.1 0.835 39.1 160.2 47.3 36.9 -13.4 36.2 28.9 100 122 A I + 0 0 2 -49,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.849 3.4 151.9 -91.8 109.6 -14.0 32.6 27.9 101 123 A E - 0 0 91 -2,-0.8 2,-0.3 -43,-0.3 37,-0.1 -0.746 23.2-170.5-140.9 86.4 -16.8 31.2 30.2 102 124 A L - 0 0 0 35,-0.3 37,-2.9 -2,-0.3 2,-0.3 -0.620 10.3-148.4 -92.9 141.1 -18.7 28.5 28.4 103 125 A T > - 0 0 53 -2,-0.3 3,-2.6 35,-0.2 4,-0.2 -0.802 37.7 -87.8 -97.6 146.6 -22.0 26.8 29.4 104 126 A R T 3 S+ 0 0 146 -2,-0.3 -1,-0.1 1,-0.3 36,-0.1 -0.192 118.8 41.9 -43.5 133.4 -23.0 23.3 28.6 105 127 A G T > S+ 0 0 45 -3,-0.0 3,-0.9 38,-0.0 4,-0.5 -0.133 88.8 94.5 104.3 -29.5 -24.7 23.3 25.2 106 128 A D T <> + 0 0 16 -3,-2.6 4,-2.5 1,-0.2 5,-0.2 0.569 57.7 89.5 -73.2 -8.1 -22.1 25.7 23.8 107 129 A E H 3> S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.844 85.3 50.9 -61.9 -35.9 -20.0 22.9 22.3 108 130 A D H <> S+ 0 0 104 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.962 112.5 43.8 -67.4 -50.0 -21.8 22.9 19.0 109 131 A A H > S+ 0 0 50 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.863 113.5 52.4 -63.8 -36.2 -21.5 26.6 18.4 110 132 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.940 108.8 49.2 -65.3 -43.4 -17.8 26.6 19.4 111 133 A A H X S+ 0 0 7 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.926 110.5 51.7 -61.6 -38.9 -16.9 23.7 17.1 112 134 A A H X S+ 0 0 60 -4,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.853 110.6 47.1 -70.3 -36.0 -18.7 25.5 14.2 113 135 A E H X S+ 0 0 31 -4,-1.9 4,-2.9 2,-0.2 -1,-0.3 0.886 110.3 53.5 -75.0 -38.4 -16.8 28.7 14.8 114 136 A I H X S+ 0 0 3 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.979 113.2 42.7 -56.2 -53.4 -13.5 26.8 15.1 115 137 A I H X S+ 0 0 28 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.932 112.6 53.5 -56.7 -49.5 -14.1 25.1 11.7 116 138 A R H X S+ 0 0 120 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.956 113.0 43.9 -49.1 -53.2 -15.3 28.4 10.2 117 139 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.4 0.909 113.1 50.5 -64.0 -42.5 -12.1 30.1 11.3 118 140 A T H X>S+ 0 0 5 -4,-3.0 4,-1.5 -5,-0.2 5,-0.5 0.871 112.2 47.4 -62.3 -38.8 -9.9 27.2 10.2 119 141 A D H <5S+ 0 0 101 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.891 115.4 45.0 -69.8 -39.7 -11.5 27.1 6.7 120 142 A L H <5S+ 0 0 80 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.967 125.6 28.2 -70.0 -48.8 -11.2 30.9 6.2 121 143 A Y H <5S- 0 0 12 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.755 101.8-120.3 -91.3 -18.8 -7.7 31.4 7.4 122 144 A G T <5 + 0 0 20 -4,-1.5 -33,-0.2 -5,-0.4 -3,-0.2 0.811 46.3 174.2 84.0 30.5 -6.2 28.0 6.6 123 145 A F < - 0 0 1 -5,-0.5 -33,-0.2 -6,-0.3 -1,-0.2 -0.328 28.8-148.8 -67.4 153.6 -5.2 27.2 10.2 124 146 A D - 0 0 0 -35,-3.9 39,-2.6 1,-0.2 2,-0.3 0.423 64.2 -46.7-104.2 1.8 -3.8 23.7 10.8 125 147 A G E -de 90 163A 0 -36,-0.5 -34,-3.0 37,-0.2 2,-0.4 -0.992 59.5 -77.9 158.2-169.7 -5.2 23.3 14.3 126 148 A L E -de 91 164A 0 37,-2.6 39,-2.4 -2,-0.3 2,-0.5 -0.999 16.8-154.8-145.1 130.8 -5.7 24.7 17.8 127 149 A D E -de 92 165A 0 -36,-2.1 -34,-2.9 -2,-0.4 2,-0.8 -0.912 19.8-139.1-102.7 124.6 -3.6 25.2 20.9 128 150 A I E +de 93 166A 0 37,-3.0 39,-2.9 -2,-0.5 -34,-0.2 -0.846 34.1 163.1 -88.0 103.9 -5.5 25.3 24.2 129 151 A D E +d 94 0A 12 -36,-3.0 -34,-3.0 -2,-0.8 2,-0.3 -0.522 13.7 177.2-125.3 54.7 -3.7 28.0 26.1 130 152 A L E -d 95 0A 3 -36,-0.3 2,-0.1 1,-0.1 -36,-0.1 -0.473 25.1-129.2 -67.6 127.2 -6.2 28.9 28.8 131 153 A E >> - 0 0 51 -36,-0.6 4,-1.0 -2,-0.3 3,-0.9 -0.414 40.6 -88.2 -58.3 152.7 -5.3 31.5 31.4 132 154 A Q H >> S+ 0 0 115 1,-0.3 3,-1.4 2,-0.2 4,-0.7 0.772 124.5 41.3 -31.2 -72.8 -5.8 30.6 35.1 133 155 A A H >> S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.889 113.7 57.4 -51.2 -37.6 -9.5 31.6 35.7 134 156 A A H <4 S+ 0 0 3 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.662 89.0 71.5 -71.8 -20.7 -10.4 30.1 32.3 135 157 A I H << S+ 0 0 2 -3,-1.4 -1,-0.2 -4,-1.0 -2,-0.2 0.914 121.1 14.9 -59.5 -41.0 -9.1 26.6 32.9 136 158 A T H << S+ 0 0 69 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.503 91.6 132.6-115.0 -7.0 -11.9 25.9 35.3 137 159 A A S >< S- 0 0 18 -4,-1.5 3,-2.2 -5,-0.2 4,-0.4 -0.177 79.8 -45.1 -55.8 144.6 -14.4 28.8 34.6 138 160 A K T 3 S- 0 0 136 1,-0.3 3,-0.3 -37,-0.1 -35,-0.2 0.101 119.9 -23.5 30.5-122.1 -18.1 27.6 34.2 139 161 A D T >> S+ 0 0 55 -37,-2.9 4,-3.3 1,-0.2 3,-1.9 0.081 97.1 121.2-102.5 26.5 -18.3 24.5 32.0 140 162 A N H <> + 0 0 0 -3,-2.2 4,-1.6 1,-0.3 -1,-0.2 0.841 69.3 61.3 -53.3 -38.2 -15.0 25.1 30.1 141 163 A Q H 34 S+ 0 0 62 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.763 117.5 29.8 -67.8 -18.2 -13.7 21.8 31.2 142 164 A F H <> S+ 0 0 75 -3,-1.9 4,-1.9 -40,-0.2 -2,-0.2 0.837 119.1 49.9-104.2 -44.6 -16.5 20.1 29.4 143 165 A V H X S+ 0 0 0 -4,-3.3 4,-3.0 -41,-0.2 5,-0.3 0.941 106.8 53.2 -65.5 -45.1 -17.4 22.4 26.5 144 166 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.924 114.0 39.9 -65.7 -45.8 -13.8 22.8 25.1 145 167 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.932 114.0 53.7 -68.1 -40.6 -13.0 19.1 24.8 146 168 A A H X S+ 0 0 14 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.965 113.8 43.2 -55.2 -48.9 -16.5 18.2 23.5 147 169 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.904 111.8 54.0 -64.5 -43.1 -16.2 20.8 20.8 148 170 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.818 104.6 54.7 -66.8 -27.9 -12.6 19.8 20.0 149 171 A K H X S+ 0 0 47 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.940 108.8 48.3 -65.5 -41.7 -13.6 16.2 19.5 150 172 A M H X S+ 0 0 64 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.858 112.1 49.4 -67.4 -34.5 -16.2 17.2 17.0 151 173 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.927 109.7 49.4 -70.6 -47.4 -13.7 19.4 15.2 152 174 A K H X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 10,-0.3 0.897 115.0 47.5 -57.8 -39.7 -11.0 16.6 15.0 153 175 A E H X S+ 0 0 79 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.894 104.7 57.4 -69.7 -46.3 -13.7 14.3 13.7 154 176 A H H >X S+ 0 0 71 -4,-2.7 4,-0.6 1,-0.2 3,-0.5 0.955 114.5 39.5 -45.2 -56.9 -15.0 16.8 11.0 155 177 A Y H 3<>S+ 0 0 9 -4,-2.0 5,-2.8 1,-0.2 -1,-0.2 0.726 108.2 60.3 -75.5 -24.5 -11.5 17.0 9.5 156 178 A R H ><5S+ 0 0 92 -4,-1.6 3,-2.0 -5,-0.2 -1,-0.2 0.860 95.7 65.7 -63.3 -33.1 -10.7 13.3 9.9 157 179 A K H <<5S+ 0 0 171 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.888 105.8 41.5 -55.7 -36.5 -13.8 12.7 7.7 158 180 A T T 3<5S- 0 0 95 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.129 126.3 -99.0-102.8 25.6 -11.9 14.3 4.8 159 181 A G T < 5S+ 0 0 69 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.527 80.1 133.1 74.5 9.0 -8.6 12.7 5.6 160 182 A D < - 0 0 45 -5,-2.8 2,-1.0 -6,-0.1 -1,-0.2 -0.738 52.8-142.0 -97.2 142.2 -7.1 15.7 7.5 161 183 A N - 0 0 49 -2,-0.3 2,-0.5 -158,-0.3 -9,-0.1 -0.789 19.5-162.7 -92.9 85.8 -5.2 15.6 10.8 162 184 A F - 0 0 0 -2,-1.0 -37,-0.2 -10,-0.3 2,-0.2 -0.620 27.0-123.7 -63.8 122.6 -6.4 18.9 12.5 163 185 A M E -e 125 0A 1 -39,-2.6 -37,-2.6 -2,-0.5 2,-0.5 -0.395 25.4-165.3 -78.7 145.5 -3.9 19.4 15.2 164 186 A I E +e 126 0A 0 25,-0.3 27,-3.6 -39,-0.2 28,-1.1 -0.982 16.2 162.8-126.5 123.5 -4.6 19.8 18.8 165 187 A T E -ef 127 192A 0 -39,-2.4 -37,-3.0 -2,-0.5 2,-0.3 -0.887 18.9-152.4-126.0 165.7 -2.0 21.1 21.3 166 188 A M E -ef 128 193A 0 26,-0.8 28,-3.3 -2,-0.3 -37,-0.2 -0.999 9.8-160.7-141.1 146.6 -2.2 22.5 24.8 167 189 A A + 0 0 0 -39,-2.9 29,-0.2 -2,-0.3 -38,-0.1 -0.396 25.6 169.3-116.9 47.6 -0.0 24.9 26.8 168 190 A P - 0 0 0 0, 0.0 28,-1.9 0, 0.0 2,-0.2 -0.306 43.8-107.7 -54.5 142.1 -0.9 24.3 30.5 169 191 A E B > -g 196 0A 31 26,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.520 38.0-116.5 -63.0 136.0 1.3 25.9 33.1 170 192 A F G > S+ 0 0 0 26,-2.2 3,-2.5 1,-0.3 -1,-0.1 0.865 108.5 65.6 -55.7 -38.2 3.3 23.0 34.6 171 193 A P G > S+ 0 0 29 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.745 95.2 64.1 -61.0 -9.6 1.9 23.1 38.2 172 194 A Y G < S+ 0 0 53 -3,-2.1 7,-1.2 1,-0.2 8,-0.3 0.419 82.5 79.8 -87.2 2.4 -1.5 22.1 36.7 173 195 A L G < + 0 0 2 -3,-2.5 67,-2.7 -4,-0.2 -1,-0.2 0.158 58.2 127.5-102.0 16.8 -0.3 18.8 35.5 174 196 A T B X S-O 239 0D 49 -3,-0.6 3,-2.4 65,-0.3 65,-0.3 -0.414 79.8 -96.5 -69.0 154.6 -0.5 16.9 38.8 175 197 A A T 3 S+ 0 0 36 63,-2.1 64,-0.1 1,-0.3 -1,-0.1 0.757 122.2 27.6 -45.1 -37.2 -2.5 13.7 38.5 176 198 A N T 3 S+ 0 0 151 62,-0.2 -1,-0.3 64,-0.0 -3,-0.1 0.012 96.4 125.8-117.9 28.8 -5.7 15.3 39.9 177 199 A G S X S- 0 0 18 -3,-2.4 3,-1.8 -5,-0.1 -5,-0.1 -0.160 76.5 -86.4 -87.6-178.5 -5.3 18.9 38.8 178 200 A A T 3 S+ 0 0 25 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.707 122.4 56.8 -62.0 -24.2 -7.4 21.3 36.8 179 201 A Y T >> S+ 0 0 0 -7,-1.2 4,-2.1 1,-0.2 3,-1.0 0.632 79.1 100.6 -86.8 -8.0 -6.1 20.2 33.4 180 202 A T H <> S+ 0 0 37 -3,-1.8 4,-2.5 -8,-0.3 5,-0.3 0.854 79.9 47.5 -38.7 -60.2 -7.1 16.5 34.0 181 203 A P H 3> S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.763 110.7 50.7 -64.3 -31.3 -10.3 16.6 32.0 182 204 A Y H <> S+ 0 0 0 -3,-1.0 4,-2.1 -4,-0.2 -2,-0.2 0.963 115.4 43.1 -66.0 -51.4 -8.7 18.3 29.0 183 205 A L H < S+ 0 0 2 -4,-2.1 -1,-0.2 2,-0.2 -3,-0.1 0.839 119.8 40.9 -63.6 -35.0 -5.9 15.7 28.9 184 206 A T H >< S+ 0 0 30 -4,-2.5 3,-1.2 -5,-0.3 -2,-0.2 0.945 117.2 45.6 -85.2 -46.8 -8.1 12.7 29.5 185 207 A E H 3< S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.869 117.8 44.1 -59.0 -41.2 -11.1 13.6 27.3 186 208 A L T >X S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.3 4,-1.7 0.218 83.0 139.8 -88.2 13.5 -8.8 14.6 24.4 187 209 A D T <4 S+ 0 0 24 -3,-1.2 -3,-0.1 1,-0.3 169,-0.1 -0.457 76.9 12.2 -62.5 124.2 -6.7 11.5 24.9 188 210 A G T 34 S+ 0 0 12 -2,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.069 121.0 73.3 90.4 -22.2 -5.7 10.2 21.5 189 211 A Y T <4 S+ 0 0 51 -3,-1.8 -25,-0.3 168,-0.0 -2,-0.2 0.718 77.6 82.1 -87.8 -30.4 -7.0 13.4 19.9 190 212 A Y < - 0 0 11 -4,-1.7 -2,-0.2 -7,-0.1 -25,-0.2 -0.536 62.4-153.5 -86.9 151.5 -4.2 15.7 20.9 191 213 A D - 0 0 26 -27,-3.6 2,-0.3 1,-0.4 -26,-0.2 0.830 69.8 -28.5 -91.8 -38.3 -1.0 15.9 18.9 192 214 A F E -f 165 0A 1 -28,-1.1 -26,-0.8 56,-0.0 2,-0.5 -0.948 55.5-124.4-165.3 161.6 1.4 17.0 21.7 193 215 A I E -fh 166 247A 0 53,-3.1 55,-2.8 -2,-0.3 -26,-0.2 -0.943 14.9-166.0-111.0 135.9 1.3 19.1 24.8 194 216 A N - 0 0 0 -28,-3.3 55,-0.2 -2,-0.5 53,-0.1 -0.747 16.5-165.7-114.5 81.3 3.6 22.1 25.2 195 217 A P - 0 0 0 0, 0.0 55,-2.0 0, 0.0 2,-0.9 -0.339 23.2-115.9 -66.5 154.6 3.5 23.1 28.9 196 218 A Q B -gi 169 250A 20 -28,-1.9 -26,-2.2 -29,-0.2 2,-0.6 -0.741 25.2-174.6 -87.1 108.2 4.8 26.3 30.1 197 219 A F + 0 0 1 53,-1.9 2,-0.3 -2,-0.9 -1,-0.1 -0.376 61.4 71.5 -96.3 53.7 7.7 25.7 32.4 198 220 A Y S S+ 0 0 5 -2,-0.6 63,-0.3 53,-0.1 -28,-0.2 -0.946 70.3 44.4-157.2 175.8 8.0 29.4 33.3 199 221 A N S S+ 0 0 55 61,-2.6 62,-0.1 -2,-0.3 -1,-0.1 0.586 82.2 103.7 57.4 11.4 6.3 32.2 35.2 200 222 A Q > - 0 0 31 1,-0.3 3,-2.1 3,-0.1 15,-0.1 0.252 64.8-159.6-107.3 8.7 5.7 29.9 38.3 201 223 A G T 3 S+ 0 0 21 1,-0.3 15,-0.4 14,-0.1 -1,-0.3 -0.210 70.3 0.6 56.1-123.8 8.5 31.3 40.4 202 224 A G T 3 S+ 0 0 41 13,-0.2 -1,-0.3 12,-0.1 15,-0.0 0.442 99.6 122.3 -77.7 -0.9 9.7 28.9 43.1 203 225 A D < + 0 0 68 -3,-2.1 12,-3.5 11,-0.2 13,-0.3 -0.186 32.1 111.8 -61.0 159.5 7.2 26.2 42.1 204 226 A G E -P 214 0E 5 10,-0.3 2,-0.3 11,-0.1 10,-0.2 -0.880 56.3 -77.0 171.6-146.6 8.9 22.9 41.2 205 227 A L E -P 213 0E 10 8,-2.0 8,-2.6 -2,-0.3 2,-0.5 -0.989 25.3-116.3-153.2 164.8 9.1 19.3 42.6 206 228 A W E -P 212 0E 148 -2,-0.3 2,-0.7 6,-0.2 6,-0.2 -0.843 17.8-160.2-104.6 124.8 10.7 17.2 45.1 207 229 A I E >> -P 211 0E 9 4,-2.6 4,-2.7 -2,-0.5 3,-1.0 -0.904 16.7-142.6-107.3 107.7 13.0 14.4 44.0 208 230 A E T 34 S+ 0 0 184 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.687 100.0 49.8 -49.2 -23.6 13.4 11.9 47.0 209 231 A G T 34 S+ 0 0 75 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.914 128.4 10.0 -74.0 -52.1 17.0 11.5 46.0 210 232 A V T <4 S- 0 0 88 -3,-1.0 2,-0.2 1,-0.3 -2,-0.2 0.437 98.0-123.4-123.0 -0.5 18.3 15.1 45.7 211 233 A G E < +P 207 0E 12 -4,-2.7 -4,-2.6 2,-0.1 2,-0.4 -0.611 57.3 3.0 103.7-154.3 15.7 17.5 47.1 212 234 A W E -P 206 0E 126 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.681 51.6-168.4 -88.8 128.8 13.7 20.4 46.0 213 235 A I E -P 205 0E 0 -8,-2.6 -8,-2.0 -2,-0.4 2,-0.3 -0.964 9.0-161.0-124.9 112.1 14.0 21.6 42.4 214 236 A A E > -P 204 0E 9 -2,-0.5 3,-1.8 -10,-0.2 -10,-0.3 -0.683 26.1-129.1-101.2 143.1 12.5 25.0 41.6 215 237 A Q T 3 S+ 0 0 0 -12,-3.5 -13,-0.2 -2,-0.3 -14,-0.1 0.649 110.4 50.0 -60.6 -17.3 11.6 26.3 38.2 216 238 A N T 3 S+ 0 0 76 -15,-0.4 2,-1.0 -13,-0.3 -1,-0.3 0.176 79.9 111.1-109.5 15.0 13.6 29.5 39.0 217 239 A N X - 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