==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUN-12 4AXN . COMPND 2 MOLECULE: CHITINASE C1; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR C.M.PAYNE,J.BABAN,B.SYNSTAD,P.H.BACKE,A.S.ARVAI,B.DALHUS,M.B . 632 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 49 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 0 2 0 0 0 2 0 2 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 0 4 6 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 . 8 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 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 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 13 A D > 0 0 137 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 90.3 6.8 82.8 100.3 2 14 A D G > + 0 0 91 1,-0.3 3,-1.5 2,-0.2 73,-0.1 0.859 360.0 59.6 -60.8 -37.0 10.4 81.7 100.7 3 15 A A G 3 S+ 0 0 5 1,-0.3 -1,-0.3 78,-0.1 72,-0.0 0.731 95.1 66.4 -63.9 -20.7 9.7 79.0 103.3 4 16 A A G < S+ 0 0 41 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.693 80.5 93.5 -75.8 -15.6 7.4 77.3 100.9 5 17 A I < - 0 0 48 -3,-1.5 76,-0.1 -4,-0.4 153,-0.1 -0.412 66.0-149.9 -67.3 147.1 10.3 76.4 98.6 6 18 A M - 0 0 11 590,-0.1 153,-0.4 80,-0.1 80,-0.1 -0.915 24.4-134.9-120.1 101.5 11.9 72.9 99.1 7 19 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 75,-0.0 -0.244 13.6-121.3 -57.7 139.1 15.5 73.3 98.1 8 20 A S - 0 0 44 1,-0.1 590,-0.1 588,-0.1 78,-0.0 -0.576 22.4-173.6 -76.4 137.9 17.0 70.6 95.9 9 21 A I > + 0 0 8 -2,-0.3 3,-0.7 76,-0.1 -1,-0.1 0.165 48.2 119.4-112.5 16.3 20.1 68.9 97.3 10 22 A A T 3 + 0 0 35 1,-0.2 3,-0.1 317,-0.0 317,-0.0 -0.349 66.2 26.6 -75.0 160.6 20.7 66.9 94.1 11 23 A N T 3 S+ 0 0 23 1,-0.1 2,-0.3 318,-0.1 -1,-0.2 0.668 111.6 68.8 63.2 21.9 24.0 67.3 92.1 12 24 A K S < S- 0 0 77 -3,-0.7 2,-0.2 317,-0.2 317,-0.2 -0.967 80.8-108.3-155.8 163.4 26.1 68.3 95.0 13 25 A K - 0 0 49 302,-0.5 2,-0.3 -2,-0.3 271,-0.2 -0.609 37.9-133.0 -89.2 160.8 27.6 66.9 98.2 14 26 A I E -a 284 0A 0 269,-2.2 271,-2.2 -2,-0.2 2,-0.5 -0.859 17.1-157.5-118.1 155.0 26.1 68.0 101.6 15 27 A L E -a 285 0A 0 -2,-0.3 34,-1.3 31,-0.3 33,-1.0 -0.960 32.1-174.1-123.6 101.5 27.5 69.3 104.9 16 28 A M E +ab 286 49A 0 269,-3.0 271,-1.8 -2,-0.5 2,-0.3 -0.791 7.7 176.8-102.8 141.7 24.5 68.4 107.2 17 29 A G E -ab 287 50A 0 32,-2.2 34,-2.6 -2,-0.3 2,-0.3 -0.994 26.6-119.1-144.2 154.4 24.3 69.4 110.9 18 30 A F E - b 0 51A 1 269,-1.9 272,-2.5 -2,-0.3 273,-0.8 -0.689 19.3-153.8 -91.2 145.4 21.8 69.0 113.7 19 31 A W E - b 0 52A 3 32,-2.9 34,-3.0 -2,-0.3 2,-0.5 -0.974 18.8-126.7-121.6 127.8 20.3 72.1 115.5 20 32 A H E - b 0 53A 2 -2,-0.4 2,-0.8 32,-0.2 18,-0.2 -0.651 9.4-158.7 -79.9 121.2 19.0 71.7 119.0 21 33 A N S S+ 0 0 22 32,-2.7 2,-0.3 -2,-0.5 43,-0.1 -0.302 72.5 68.4 -90.1 49.7 15.4 72.8 119.8 22 34 A W S S- 0 0 92 -2,-0.8 2,-0.2 43,-0.0 -2,-0.1 -0.976 88.5 -92.7-159.9 156.4 16.2 73.2 123.6 23 35 A A - 0 0 53 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.496 41.0-106.6 -77.3 145.1 18.3 75.5 125.8 24 36 A A - 0 0 20 -2,-0.2 2,-0.1 11,-0.1 -1,-0.1 -0.339 28.5-149.5 -65.0 139.1 21.8 74.7 126.8 25 37 A G - 0 0 30 -2,-0.1 3,-0.4 1,-0.0 10,-0.2 -0.339 37.1 -91.7 -92.9-175.8 22.4 73.7 130.4 26 38 A A S S+ 0 0 87 1,-0.2 3,-0.1 -2,-0.1 -2,-0.1 0.740 114.4 9.4 -72.2 -24.6 25.7 74.5 132.2 27 39 A S S S+ 0 0 55 1,-0.1 5,-0.2 7,-0.0 7,-0.2 -0.133 70.7 143.1-154.4 51.9 27.5 71.3 131.3 28 40 A D + 0 0 84 -3,-0.4 6,-0.2 4,-0.1 -2,-0.1 0.717 47.4 102.0 -69.6 -18.3 25.6 69.1 128.8 29 41 A G S > S- 0 0 3 4,-2.4 3,-2.3 1,-0.1 227,-0.2 -0.190 83.5-116.0 -74.6 159.4 28.7 67.9 126.9 30 42 A Y T 3 S+ 0 0 124 225,-2.5 225,-0.2 1,-0.3 -1,-0.1 0.689 123.9 39.5 -63.0 -19.0 30.5 64.5 127.3 31 43 A Q T 3 S- 0 0 115 224,-0.0 267,-0.5 226,-0.0 -1,-0.3 -0.072 129.3 -97.5-116.8 30.2 33.5 66.5 128.6 32 44 A Q S < S+ 0 0 94 -3,-2.3 -4,-0.1 -5,-0.2 -2,-0.1 0.623 79.8 141.3 63.5 20.1 31.2 68.9 130.7 33 45 A G - 0 0 1 -6,-0.2 -4,-2.4 -5,-0.1 2,-0.4 -0.132 48.6-118.0 -76.3-177.4 31.4 71.6 128.0 34 46 A Q B -K 296 0B 67 262,-2.4 262,-2.4 -7,-0.2 2,-0.1 -0.982 16.6-137.2-130.9 133.8 28.4 73.8 127.0 35 47 A F - 0 0 6 -2,-0.4 2,-0.3 260,-0.2 257,-0.2 -0.490 27.5-107.4 -88.7 160.6 26.7 74.1 123.6 36 48 A A - 0 0 21 255,-2.3 2,-0.4 -2,-0.1 258,-0.1 -0.660 17.7-139.7 -88.2 142.5 25.6 77.3 122.0 37 49 A N + 0 0 87 -2,-0.3 2,-0.3 257,-0.1 -14,-0.1 -0.802 39.4 158.7 -92.2 140.4 22.0 78.5 121.7 38 50 A M - 0 0 22 -2,-0.4 2,-0.1 -18,-0.2 253,-0.1 -0.996 42.1-107.9-159.4 159.1 21.4 80.2 118.3 39 51 A N > - 0 0 58 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.460 39.1-112.5 -78.8 163.8 18.9 81.2 115.7 40 52 A L G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.869 119.7 60.0 -65.2 -30.9 18.7 79.2 112.4 41 53 A T G 3 S+ 0 0 53 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.496 94.3 64.0 -77.4 -0.9 20.0 82.4 110.7 42 54 A D G < S+ 0 0 89 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.474 78.9 107.9 -94.1 -6.6 23.1 82.3 112.9 43 55 A I S < S- 0 0 5 -3,-1.5 248,-0.0 -4,-0.3 -24,-0.0 -0.578 82.3-107.1 -77.5 127.1 24.2 79.0 111.2 44 56 A P > - 0 0 21 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.194 27.1-122.8 -48.2 138.4 27.2 79.3 108.8 45 57 A T T 3 S+ 0 0 80 1,-0.3 -2,-0.1 -4,-0.1 -3,-0.0 0.718 104.0 77.0 -60.5 -21.1 26.0 78.9 105.2 46 58 A E T 3 S+ 0 0 55 1,-0.1 2,-1.2 2,-0.1 -1,-0.3 0.790 75.3 82.0 -61.2 -26.1 28.3 76.0 104.6 47 59 A Y < + 0 0 0 -3,-2.1 -31,-0.2 1,-0.2 -1,-0.1 -0.714 60.1 172.5 -77.0 101.5 25.8 73.8 106.6 48 60 A N + 0 0 26 -2,-1.2 38,-2.1 -33,-1.0 2,-0.4 0.477 64.7 46.8 -96.1 -3.7 23.5 73.3 103.6 49 61 A V E S-bc 16 86A 0 -34,-1.3 -32,-2.2 36,-0.2 2,-0.5 -0.988 70.0-173.5-133.6 120.5 21.2 70.7 105.3 50 62 A V E -bc 17 87A 0 36,-2.4 38,-2.9 -2,-0.4 2,-0.6 -0.990 8.6-157.4-117.5 121.5 20.1 71.6 108.9 51 63 A A E -bc 18 88A 0 -34,-2.6 -32,-2.9 -2,-0.5 2,-0.5 -0.909 12.4-141.2-103.3 119.3 18.2 68.9 110.8 52 64 A V E -bc 19 89A 0 36,-3.2 38,-3.1 -2,-0.6 2,-0.6 -0.684 26.5-114.3 -84.0 125.2 16.0 70.3 113.6 53 65 A A E S+bc 20 90A 0 -34,-3.0 -32,-2.7 -2,-0.5 38,-0.1 -0.892 70.4 8.5-109.7 118.5 16.0 68.1 116.7 54 66 A F E + 0 0 31 36,-0.7 2,-0.5 -2,-0.6 37,-0.2 0.649 28.6 174.6-149.6 159.9 13.4 66.8 117.5 55 67 A M E + c 0 91A 0 35,-2.6 37,-2.4 -3,-0.2 2,-0.3 -0.817 48.7 144.2 -87.0 134.0 9.8 65.9 116.6 56 68 A K B +M 62 0C 111 6,-2.5 6,-2.7 -2,-0.5 41,-0.1 -0.947 6.0 111.7-163.4 171.8 8.7 63.6 119.4 57 69 A G - 0 0 21 39,-2.7 42,-0.3 -2,-0.3 2,-0.1 -0.259 57.8 -78.4 127.6 148.8 5.7 62.6 121.6 58 70 A Q S S+ 0 0 113 40,-0.2 2,-0.7 2,-0.1 40,-0.1 -0.361 104.6 13.9 -72.4 157.9 3.2 59.9 122.5 59 71 A G S S+ 0 0 40 40,-0.4 40,-0.2 38,-0.2 42,-0.2 -0.694 140.9 1.1 78.2-116.0 0.3 59.4 120.1 60 72 A I S S- 0 0 47 -2,-0.7 -2,-0.1 40,-0.1 -4,-0.1 -0.941 89.2-126.5-105.5 115.2 1.2 61.4 117.0 61 73 A P + 0 0 0 0, 0.0 -4,-0.3 0, 0.0 2,-0.2 -0.225 36.9 174.6 -56.3 156.4 4.7 63.0 117.5 62 74 A T B -M 56 0C 61 -6,-2.7 -6,-2.5 -8,-0.1 2,-0.3 -0.820 21.1-136.1-153.5-176.1 4.9 66.7 117.0 63 75 A F + 0 0 6 -2,-0.2 -8,-0.1 -8,-0.2 -6,-0.0 -0.990 14.8 173.7-154.2 141.2 7.2 69.8 117.2 64 76 A K - 0 0 123 -2,-0.3 5,-0.1 -43,-0.1 -2,-0.0 -0.962 42.1-104.0-148.6 134.4 7.0 73.3 118.4 65 77 A P - 0 0 11 0, 0.0 5,-0.1 0, 0.0 -44,-0.1 -0.276 25.2-142.7 -56.9 134.8 10.0 75.8 118.6 66 78 A Y S S+ 0 0 86 1,-0.2 -43,-0.1 3,-0.1 -45,-0.0 0.781 90.6 10.3 -75.6 -24.8 11.1 76.1 122.2 67 79 A N S S+ 0 0 89 2,-0.1 2,-0.4 1,-0.0 -1,-0.2 0.243 112.5 71.4-142.7 23.2 11.9 79.8 122.0 68 80 A L S S- 0 0 27 -29,-0.0 -1,-0.0 4,-0.0 2,-0.0 -0.981 77.0-111.9-136.2 147.0 10.6 81.3 118.7 69 81 A S > - 0 0 67 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.312 35.2-110.4 -66.2 160.4 7.1 82.1 117.6 70 82 A D H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 119.6 52.1 -58.5 -41.5 5.9 79.9 114.7 71 83 A T H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 111.7 44.8 -61.4 -42.3 5.9 83.0 112.4 72 84 A E H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.899 112.6 51.0 -72.2 -39.4 9.5 83.8 113.3 73 85 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.956 112.0 47.2 -62.0 -48.7 10.7 80.2 113.0 74 86 A R H X S+ 0 0 49 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.913 108.9 55.6 -58.8 -39.2 9.1 80.0 109.5 75 87 A R H X S+ 0 0 124 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.947 109.3 46.5 -59.6 -46.7 10.7 83.3 108.5 76 88 A Q H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.892 110.5 51.4 -63.9 -41.0 14.2 82.0 109.4 77 89 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.919 108.1 54.3 -61.4 -36.5 13.6 78.7 107.5 78 90 A G H X S+ 0 0 5 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.887 105.4 52.4 -62.5 -38.4 12.5 80.9 104.6 79 91 A V H X S+ 0 0 42 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.957 112.5 45.2 -62.5 -49.7 15.9 82.8 104.8 80 92 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-0.8 0.930 112.6 50.3 -59.1 -44.0 17.8 79.5 104.7 81 93 A N H ><5S+ 0 0 5 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.879 104.5 58.0 -64.3 -33.9 15.7 78.2 101.8 82 94 A S H 3<5S+ 0 0 61 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.770 104.9 53.3 -65.7 -22.7 16.3 81.4 99.9 83 95 A Q T <<5S- 0 0 94 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.325 124.9-105.6 -90.1 4.2 20.0 80.5 100.2 84 96 A G T < 5S+ 0 0 27 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.619 77.7 136.4 81.5 14.7 19.4 77.0 98.7 85 97 A R < - 0 0 7 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.834 47.0-138.9-104.2 131.7 19.7 75.4 102.2 86 98 A A E -c 49 0A 0 -38,-2.1 -36,-2.4 -2,-0.4 2,-0.5 -0.570 8.4-157.0 -88.1 145.6 17.3 72.6 103.3 87 99 A V E -c 50 0A 0 33,-0.2 35,-3.2 -2,-0.2 36,-0.5 -0.985 13.3-168.7-127.0 115.8 15.9 72.4 106.8 88 100 A L E -c 51 0A 0 -38,-2.9 -36,-3.2 -2,-0.5 2,-0.5 -0.696 20.8-131.1-100.8 154.1 14.6 69.0 107.9 89 101 A I E -cd 52 124A 2 34,-2.2 36,-2.3 -2,-0.3 2,-0.6 -0.935 24.8-143.3-100.6 129.4 12.6 68.1 111.0 90 102 A S E -cd 53 125A 0 -38,-3.1 -35,-2.6 -2,-0.5 -36,-0.7 -0.859 6.7-150.4 -97.8 122.9 14.3 65.1 112.8 91 103 A L E +cd 55 126A 0 34,-2.9 36,-2.8 -2,-0.6 2,-0.4 -0.804 62.7 19.9 -90.9 122.7 11.9 62.6 114.3 92 104 A G E + d 0 127A 1 -37,-2.4 36,-0.2 -2,-0.5 -38,-0.1 -0.983 51.4 155.2 132.8-135.0 13.3 60.8 117.4 93 105 A G E > - d 0 128A 7 34,-2.6 3,-0.8 -2,-0.4 36,-0.6 -0.130 63.5 -33.9 85.8 170.2 16.1 61.6 119.8 94 106 A A T 3 S+ 0 0 76 1,-0.2 -2,-0.1 2,-0.1 34,-0.0 -0.324 126.8 5.7 -62.2 142.1 16.4 60.3 123.4 95 107 A D T 3 S+ 0 0 118 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.866 80.1 145.1 51.8 47.7 13.2 59.9 125.4 96 108 A A < - 0 0 2 -3,-0.8 -39,-2.7 2,-0.1 3,-0.1 0.674 47.4-144.8 -88.3 -16.9 10.9 60.6 122.5 97 109 A H + 0 0 112 1,-0.2 2,-0.8 -41,-0.1 -38,-0.2 0.813 32.8 171.0 56.0 33.7 8.1 58.2 123.5 98 110 A I + 0 0 4 -40,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.664 9.2 152.9 -79.6 111.6 7.5 57.5 119.8 99 111 A E - 0 0 77 -2,-0.8 -40,-0.4 -42,-0.3 2,-0.2 -0.713 24.0-165.1-142.1 84.4 5.0 54.5 119.7 100 112 A L - 0 0 1 -2,-0.3 37,-2.7 35,-0.2 2,-0.4 -0.521 9.4-142.2 -76.3 140.3 3.0 54.7 116.5 101 113 A K > - 0 0 99 -2,-0.2 3,-2.3 -42,-0.2 4,-0.1 -0.834 25.9 -99.9-106.9 138.4 -0.1 52.5 116.3 102 114 A T T 3 S+ 0 0 92 -2,-0.4 -1,-0.1 1,-0.3 36,-0.0 -0.228 113.4 38.5 -52.5 136.6 -1.4 50.7 113.2 103 115 A G T 3 S+ 0 0 52 -3,-0.0 3,-0.3 0, 0.0 4,-0.3 0.217 91.2 93.0 102.2 -13.5 -4.1 52.8 111.7 104 116 A D <> + 0 0 26 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 0.300 49.1 106.1 -97.9 16.0 -2.3 56.1 112.4 105 117 A E H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 83.8 41.7 -59.4 -50.7 -0.6 56.4 109.0 106 118 A D H > S+ 0 0 73 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.870 113.0 53.3 -69.3 -34.8 -2.8 59.1 107.7 107 119 A K H > S+ 0 0 123 -4,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.905 112.2 45.9 -64.9 -37.8 -2.9 61.0 111.0 108 120 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.928 112.2 50.4 -70.1 -42.9 1.0 61.0 111.0 109 121 A K H X S+ 0 0 51 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.937 110.6 51.2 -54.9 -48.6 1.1 62.0 107.2 110 122 A D H X S+ 0 0 93 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.844 110.1 48.0 -61.2 -33.9 -1.3 64.9 108.1 111 123 A E H X S+ 0 0 31 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.896 110.6 51.1 -75.8 -37.9 0.9 66.1 111.0 112 124 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.939 112.0 47.6 -62.4 -42.6 4.1 66.0 108.8 113 125 A I H X S+ 0 0 17 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.896 109.5 53.7 -65.5 -38.7 2.3 68.0 106.2 114 126 A R H X S+ 0 0 90 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.938 107.7 50.3 -60.3 -43.1 1.1 70.5 108.9 115 127 A L H X>S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 6,-0.7 0.903 110.8 50.0 -64.5 -35.4 4.7 71.0 110.1 116 128 A V H X5S+ 0 0 14 -4,-2.1 4,-1.9 4,-0.2 -1,-0.2 0.944 114.5 44.2 -64.5 -47.5 5.8 71.7 106.5 117 129 A E H <5S+ 0 0 122 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.850 121.1 38.8 -69.3 -32.1 3.0 74.2 106.0 118 130 A V H <5S+ 0 0 41 -4,-2.6 -2,-0.2 -5,-0.2 -44,-0.2 0.909 132.6 20.2 -82.8 -44.8 3.5 75.9 109.4 119 131 A Y H <5S- 0 0 1 -4,-2.8 -3,-0.2 -5,-0.3 -42,-0.2 0.619 97.0-118.8-104.7 -17.3 7.3 75.9 109.7 120 132 A G << + 0 0 2 -4,-1.9 -33,-0.2 -5,-0.6 -4,-0.2 0.624 45.6 174.2 87.4 17.1 8.6 75.4 106.1 121 133 A F - 0 0 1 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