==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-NOV-12 4I6X . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE A5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KOZLOV,R.VINAIK,K.GEHRING . 117 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 12.0 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 . 1 0.9 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 . 9 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 28 A M 0 0 82 0, 0.0 43,-0.2 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 155.3 -16.2 -2.1 24.9 2 29 A L - 0 0 141 1,-0.1 2,-0.7 42,-0.1 35,-0.0 -0.309 360.0-136.5 -58.6 132.7 -17.6 -3.3 21.6 3 30 A I - 0 0 7 34,-0.1 51,-0.2 51,-0.1 2,-0.2 -0.869 26.7-138.9 -91.2 113.3 -15.1 -3.8 18.8 4 31 A E E -a 54 0A 138 -2,-0.7 51,-2.3 49,-0.6 2,-0.4 -0.452 7.7-129.3 -80.2 146.5 -16.8 -2.4 15.7 5 32 A R E -a 55 0A 126 49,-0.2 2,-0.4 -2,-0.2 51,-0.2 -0.772 18.6-163.2 -97.2 136.2 -16.6 -4.0 12.3 6 33 A I + 0 0 20 49,-2.6 51,-0.4 -2,-0.4 48,-0.0 -0.946 23.8 155.8-117.1 140.8 -15.6 -2.1 9.2 7 34 A S + 0 0 34 -2,-0.4 59,-0.3 49,-0.1 -1,-0.1 0.563 54.5 82.1-126.8 -35.0 -16.2 -3.3 5.6 8 35 A D >> - 0 0 71 1,-0.1 4,-1.4 58,-0.1 3,-1.3 -0.653 69.6-142.4 -83.6 123.9 -16.2 -0.1 3.5 9 36 A P H 3> S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.831 101.1 60.6 -51.8 -35.4 -12.7 1.2 2.5 10 37 A K H 3> S+ 0 0 159 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.846 102.5 52.3 -63.8 -31.0 -13.9 4.8 3.0 11 38 A D H <> S+ 0 0 89 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.891 110.4 45.4 -74.1 -41.5 -14.6 4.1 6.6 12 39 A L H X S+ 0 0 2 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.901 110.9 55.4 -66.1 -38.7 -11.2 2.7 7.4 13 40 A K H X S+ 0 0 112 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.925 110.0 45.8 -57.7 -45.4 -9.7 5.6 5.5 14 41 A K H X S+ 0 0 130 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.911 111.4 51.6 -65.2 -44.0 -11.6 8.0 7.8 15 42 A L H >X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 3,-0.6 0.948 111.2 47.3 -58.1 -47.3 -10.6 6.1 11.0 16 43 A L H 3< S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.3 51.5 -68.7 -31.1 -6.9 6.2 10.1 17 44 A R H 3< S+ 0 0 151 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.766 119.1 35.8 -69.2 -28.0 -7.0 9.9 9.2 18 45 A T H << S+ 0 0 88 -4,-1.5 2,-0.4 -3,-0.6 -2,-0.2 0.578 112.9 56.4-108.7 -12.7 -8.7 10.8 12.6 19 46 A R < - 0 0 131 -4,-1.9 70,-0.4 -5,-0.2 3,-0.2 -0.989 57.6-163.5-128.2 132.4 -7.1 8.3 15.1 20 47 A N S S+ 0 0 96 -2,-0.4 68,-2.4 1,-0.2 2,-0.3 0.456 80.2 45.3 -96.6 -3.2 -3.4 8.1 15.6 21 48 A N E S+B 87 0A 28 66,-0.2 31,-2.3 67,-0.1 2,-0.4 -0.805 73.4 160.4-146.3 92.0 -3.1 4.7 17.4 22 49 A V E -Bc 86 52A 0 64,-2.5 64,-3.0 -2,-0.3 2,-0.5 -0.962 25.4-164.1-128.1 131.1 -5.2 2.0 15.8 23 50 A L E -Bc 85 53A 0 29,-2.7 31,-2.2 -2,-0.4 2,-0.5 -0.974 12.3-164.7-109.7 128.2 -5.2 -1.8 15.9 24 51 A V E -Bc 84 54A 0 60,-2.8 60,-2.6 -2,-0.5 2,-0.7 -0.973 8.8-151.8-114.6 123.7 -7.1 -3.6 13.2 25 52 A L E -Bc 83 55A 0 29,-2.5 31,-2.9 -2,-0.5 2,-0.6 -0.858 11.6-165.2 -88.5 114.4 -8.0 -7.3 13.6 26 53 A Y E -Bc 82 56A 0 56,-3.2 56,-2.5 -2,-0.7 2,-0.3 -0.919 14.3-169.1-100.7 124.4 -8.3 -8.8 10.1 27 54 A S E -Bc 81 57A 0 29,-2.6 31,-2.0 -2,-0.6 32,-0.7 -0.869 35.1-138.0-121.2 150.1 -10.0 -12.2 10.3 28 55 A K S S- 0 0 81 52,-2.4 2,-0.3 -2,-0.3 53,-0.1 0.762 91.4 -15.0 -68.0 -28.7 -10.6 -15.1 7.9 29 56 A S S > S- 0 0 43 51,-0.3 4,-1.3 29,-0.1 -1,-0.2 -0.963 70.9 -97.7-164.0 167.7 -14.2 -15.4 9.3 30 57 A E H > S+ 0 0 133 -2,-0.3 4,-0.6 2,-0.2 3,-0.2 0.913 124.4 50.2 -62.4 -42.6 -16.5 -14.2 12.1 31 58 A V H >4 S+ 0 0 98 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.909 107.6 53.2 -63.0 -41.2 -15.9 -17.6 13.9 32 59 A A H 34 S+ 0 0 12 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.810 108.0 52.7 -64.0 -29.0 -12.1 -17.3 13.5 33 60 A A H 3X S+ 0 0 0 -4,-1.3 4,-2.9 -3,-0.2 -1,-0.2 0.623 82.7 95.0 -79.8 -15.6 -12.3 -13.8 15.1 34 61 A E H S+ 0 0 105 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.904 117.6 48.4 -64.2 -40.9 -11.4 -15.4 20.8 36 63 A H H > S+ 0 0 39 -4,-0.4 4,-3.2 1,-0.2 -1,-0.2 0.913 110.4 51.4 -64.4 -42.4 -9.5 -12.4 19.6 37 64 A L H X S+ 0 0 30 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.894 106.6 54.8 -64.2 -36.9 -12.6 -10.2 19.8 38 65 A R H X S+ 0 0 182 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.942 115.4 38.4 -60.1 -48.3 -13.3 -11.4 23.4 39 66 A L H >X S+ 0 0 39 -4,-1.9 4,-1.9 1,-0.2 3,-0.7 0.924 113.5 54.7 -68.4 -45.7 -9.8 -10.3 24.5 40 67 A L H 3X S+ 0 0 2 -4,-3.2 4,-3.0 1,-0.3 5,-0.2 0.809 98.1 63.7 -63.5 -29.0 -9.7 -7.2 22.4 41 68 A S H 3X S+ 0 0 36 -4,-2.1 4,-1.4 1,-0.2 -1,-0.3 0.900 107.2 43.5 -59.5 -40.3 -12.9 -5.9 23.9 42 69 A T H < S+ 0 0 93 -4,-1.4 3,-1.2 1,-0.2 -1,-0.2 0.920 108.9 51.5 -63.2 -41.7 -11.7 -0.5 27.5 46 73 A A H 3< S+ 0 0 38 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.697 115.2 41.3 -71.7 -20.9 -8.3 -0.3 29.1 47 74 A V T >X S+ 0 0 1 -4,-1.3 3,-2.7 -3,-0.4 4,-2.3 0.141 77.6 153.0-113.2 19.7 -6.9 2.0 26.4 48 75 A K T <4 S+ 0 0 139 -3,-1.2 4,-0.1 1,-0.3 -3,-0.1 -0.253 75.5 13.4 -52.1 126.4 -10.0 4.3 26.0 49 76 A G T 34 S+ 0 0 85 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.133 127.1 60.1 91.6 -17.4 -8.8 7.7 24.7 50 77 A Q T <4 S+ 0 0 97 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.697 110.8 15.5-113.4 -30.9 -5.3 6.4 23.9 51 78 A G < - 0 0 8 -4,-2.3 2,-0.4 -7,-0.2 -2,-0.4 -0.976 59.5-147.1-146.3 156.6 -6.0 3.6 21.3 52 79 A T E - c 0 22A 30 -31,-2.3 -29,-2.7 -2,-0.3 2,-0.4 -0.984 11.2-164.7-128.0 134.1 -8.8 2.4 19.0 53 80 A I E + c 0 23A 13 -2,-0.4 -49,-0.6 -31,-0.2 2,-0.3 -0.977 16.4 158.9-122.1 132.1 -9.4 -1.2 18.0 54 81 A C E -ac 4 24A 5 -31,-2.2 -29,-2.5 -2,-0.4 2,-0.3 -0.870 23.5-135.1-139.1 174.9 -11.7 -2.4 15.1 55 82 A W E -ac 5 25A 18 -51,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.970 5.5-158.5-137.9 153.5 -12.1 -5.5 13.0 56 83 A V E - c 0 26A 0 -31,-2.9 -29,-2.6 -2,-0.3 2,-1.1 -1.000 16.4-142.3-128.8 128.9 -12.5 -6.5 9.4 57 84 A D E > - c 0 27A 19 -51,-0.4 3,-1.9 -2,-0.4 6,-0.3 -0.773 15.0-174.2 -92.5 96.5 -14.0 -9.8 8.3 58 85 A a T 3 S+ 0 0 17 -31,-2.0 -30,-0.2 -2,-1.1 -1,-0.2 0.665 80.4 69.2 -66.3 -15.2 -12.0 -10.7 5.3 59 86 A G T 3 S+ 0 0 36 -32,-0.7 2,-0.5 -3,-0.1 -1,-0.3 0.691 79.2 92.6 -71.8 -21.2 -14.3 -13.7 4.8 60 87 A D S X> S- 0 0 44 -3,-1.9 3,-2.1 1,-0.1 4,-1.0 -0.655 76.6-142.6 -77.2 122.0 -17.0 -11.3 3.9 61 88 A A H >> S+ 0 0 68 -2,-0.5 3,-0.6 1,-0.3 4,-0.5 0.856 101.6 56.5 -55.2 -36.7 -17.0 -10.9 0.1 62 89 A E H 34 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.581 111.1 44.6 -73.2 -9.7 -17.9 -7.1 0.5 63 90 A S H <> S+ 0 0 0 -3,-2.1 4,-2.2 -6,-0.3 3,-0.5 0.475 86.6 89.8-105.6 -11.8 -14.7 -6.7 2.7 64 91 A R H S+ 0 0 2 -3,-0.5 4,-2.2 -59,-0.3 -2,-0.2 0.933 110.0 50.7 -66.8 -44.2 -10.5 -3.7 1.8 67 94 A a H <>S+ 0 0 8 -4,-2.2 5,-2.3 1,-0.2 -2,-0.2 0.894 111.4 48.7 -61.6 -39.0 -8.3 -6.6 3.0 68 95 A K H ><5S+ 0 0 158 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.938 109.9 51.6 -65.0 -45.0 -6.5 -6.7 -0.4 69 96 A K H 3<5S+ 0 0 113 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.868 109.9 50.3 -56.1 -39.5 -6.0 -2.9 -0.2 70 97 A M T 3<5S- 0 0 35 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.369 114.4-116.8 -87.7 5.2 -4.5 -3.2 3.3 71 98 A K T < 5 + 0 0 176 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.847 49.0 175.0 66.8 37.7 -2.0 -6.0 2.2 72 99 A V < - 0 0 28 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.2 -0.579 17.2-161.6 -76.2 133.3 -3.5 -8.6 4.5 73 100 A D + 0 0 78 -2,-0.3 8,-0.1 1,-0.1 -1,-0.0 -0.865 30.7 147.9-119.9 99.3 -2.1 -12.1 4.1 74 101 A L + 0 0 25 -2,-0.5 5,-0.2 1,-0.1 -1,-0.1 0.117 39.9 111.8-109.7 19.2 -4.3 -14.9 5.6 75 102 A S + 0 0 96 3,-0.1 -1,-0.1 -3,-0.0 2,-0.1 0.808 48.5 95.7 -63.6 -34.6 -3.3 -17.5 3.1 76 103 A P S > S- 0 0 56 0, 0.0 3,-1.4 0, 0.0 -3,-0.0 -0.381 76.1-133.4 -63.6 140.3 -1.4 -19.7 5.6 77 104 A K T 3 S+ 0 0 194 1,-0.3 -2,-0.0 -2,-0.1 -3,-0.0 0.755 103.4 48.8 -64.5 -28.4 -3.6 -22.6 6.9 78 105 A D T 3 S+ 0 0 166 1,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.277 91.6 92.0 -97.8 10.2 -2.6 -22.1 10.5 79 106 A K < + 0 0 57 -3,-1.4 3,-0.1 -5,-0.2 -1,-0.0 -0.917 40.8 168.2-111.4 111.5 -3.2 -18.3 10.5 80 107 A K + 0 0 105 -2,-0.6 -52,-2.4 1,-0.2 -51,-0.3 0.770 66.5 5.8 -88.2 -35.2 -6.8 -17.3 11.5 81 108 A V E -B 27 0A 14 -54,-0.2 2,-0.4 -53,-0.1 -54,-0.2 -0.932 56.7-142.0-146.0 163.4 -6.2 -13.6 11.9 82 109 A E E -B 26 0A 10 -56,-2.5 -56,-3.2 -2,-0.3 2,-0.6 -0.996 11.2-153.5-130.4 135.5 -3.8 -10.8 11.5 83 110 A L E -B 25 0A 9 -2,-0.4 12,-2.9 12,-0.3 2,-0.4 -0.944 17.0-173.1-109.5 111.1 -3.4 -7.9 13.9 84 111 A F E -BD 24 94A 12 -60,-2.6 -60,-2.8 -2,-0.6 2,-0.4 -0.896 11.6-148.2-108.5 138.9 -2.0 -4.7 12.2 85 112 A H E -BD 23 93A 0 8,-3.0 7,-3.1 -2,-0.4 8,-1.3 -0.887 7.8-164.1-107.4 132.4 -1.0 -1.5 14.0 86 113 A Y E -BD 22 91A 6 -64,-3.0 -64,-2.5 -2,-0.4 2,-0.5 -0.967 4.9-168.3-117.9 122.7 -1.4 1.9 12.4 87 114 A Q E > S-BD 21 90A 48 3,-2.2 3,-1.4 -2,-0.5 -66,-0.2 -0.957 70.6 -11.0-115.6 128.3 0.5 4.9 13.9 88 115 A D T 3 S- 0 0 116 -68,-2.4 -1,-0.2 -2,-0.5 -68,-0.2 0.816 132.2 -49.0 54.7 34.2 -0.3 8.5 12.9 89 116 A G T 3 S+ 0 0 35 -70,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.375 120.5 85.1 95.6 -1.8 -2.4 7.3 10.0 90 117 A A E < S-D 87 0A 56 -3,-1.4 -3,-2.2 -70,-0.1 -1,-0.2 -0.946 87.2 -85.7-132.8 153.2 -0.1 4.8 8.4 91 118 A F E +D 86 0A 110 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.303 44.4 170.6 -52.4 130.7 0.8 1.1 8.8 92 119 A H E - 0 0 86 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.779 53.3 -34.1-108.5 -57.9 3.5 0.7 11.5 93 120 A T E -D 85 0A 42 -8,-1.3 -8,-3.0 0, 0.0 2,-0.4 -0.989 51.9-102.1-158.9 157.6 3.9 -3.0 12.2 94 121 A E E -D 84 0A 65 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.756 54.4-105.5 -76.0 134.3 2.1 -6.4 12.5 95 122 A Y + 0 0 12 -12,-2.9 -12,-0.3 -2,-0.4 -1,-0.0 -0.475 49.2 168.6 -61.0 127.3 1.6 -7.0 16.2 96 123 A N + 0 0 127 -2,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.107 39.3 89.9-136.0 22.4 4.1 -9.7 17.1 97 124 A R S S- 0 0 112 1,-0.2 2,-0.0 3,-0.0 7,-0.0 -0.370 91.6 -50.3-105.0-172.3 4.2 -10.0 20.9 98 125 A A - 0 0 53 -2,-0.1 2,-1.8 1,-0.1 -1,-0.2 -0.358 49.3-125.5 -63.7 141.5 2.1 -12.2 23.2 99 126 A V + 0 0 73 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.604 69.1 117.4 -87.8 76.3 -1.6 -12.1 22.6 100 127 A T S > S- 0 0 62 -2,-1.8 4,-2.6 1,-0.1 5,-0.3 -0.944 76.3-108.7-136.4 162.7 -2.6 -11.3 26.1 101 128 A F H > S+ 0 0 90 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.958 117.2 45.0 -56.8 -55.0 -4.3 -8.4 27.9 102 129 A K H > S+ 0 0 165 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 115.2 48.5 -60.0 -39.7 -1.1 -7.0 29.6 103 130 A S H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 113.9 43.3 -69.7 -45.1 1.0 -7.3 26.4 104 131 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.925 114.6 50.5 -70.3 -38.5 -1.4 -5.7 24.0 105 132 A V H X S+ 0 0 15 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.951 112.1 47.4 -62.4 -46.2 -2.2 -2.9 26.5 106 133 A A H X S+ 0 0 53 -4,-2.4 4,-0.8 -5,-0.3 3,-0.4 0.906 109.9 53.8 -62.4 -40.4 1.5 -2.2 27.0 107 134 A F H >< S+ 0 0 7 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.925 109.1 47.5 -57.9 -45.5 2.1 -2.2 23.3 108 135 A L H 3< S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.705 115.1 46.6 -71.6 -18.3 -0.6 0.4 22.7 109 136 A K H 3< S+ 0 0 117 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.465 92.3 100.2 -97.7 -6.4 0.8 2.6 25.5 110 137 A D S << S- 0 0 77 -3,-0.9 2,-0.2 -4,-0.8 -4,-0.0 -0.691 74.3-124.0 -88.4 127.8 4.5 2.3 24.4 111 138 A P - 0 0 109 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.486 18.7-166.0 -66.3 140.5 6.1 5.1 22.4 112 139 A K + 0 0 34 -2,-0.2 -2,-0.0 3,-0.0 -25,-0.0 -0.706 20.7 173.9-129.3 72.9 7.5 4.1 19.1 113 140 A G - 0 0 59 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.081 43.4 -46.8 -69.2-171.1 9.6 7.1 18.1 114 141 A P - 0 0 122 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 -0.113 67.0 -92.5 -66.2 155.7 11.9 7.3 15.1 115 142 A P - 0 0 69 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.346 41.9-107.4 -63.0 151.9 14.4 4.6 14.2 116 143 A L 0 0 180 -3,-0.1 -3,-0.0 -2,-0.0 0, 0.0 0.737 360.0 360.0 -56.7 -29.1 17.8 5.0 15.6 117 144 A W 0 0 245 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.240 360.0 360.0 -84.8 360.0 19.4 6.0 12.2