==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 25-APR-12 4EV6 . COMPND 2 MOLECULE: MAGNESIUM TRANSPORT PROTEIN CORA; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR A.GUSKOV,N.NORDIN,A.REYNAUD,H.ENGMAN,A.-K.LUNDBACK,A.J.O.JON . 1574 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1201 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 80 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 806 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 0 0 2 7 2 2 6 0 0 1 0 0 0 0 0 0 4 1 0 0 0 0 0 1 0 14 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 5 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 . 4 2 4 6 7 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 0 0 3 1 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 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 3 A T 0 0 52 0, 0.0 41,-0.1 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 89.3 23.7 -3.8 -10.6 2 4 A V + 0 0 100 1,-0.1 4,-0.1 2,-0.1 29,-0.1 -0.159 360.0 153.6 -64.9 149.4 21.9 -6.0 -8.1 3 5 A I S S- 0 0 38 31,-0.1 -1,-0.1 35,-0.0 28,-0.1 0.722 107.2 -55.1-128.5 -50.5 20.1 -4.7 -5.0 4 6 A A S S+ 0 0 47 26,-0.2 28,-1.5 -3,-0.0 2,-0.5 -0.170 100.8 156.2-102.3 128.6 18.5 -7.2 -5.2 5 7 A I E -A 31 0A 11 26,-0.2 2,-0.4 -2,-0.0 26,-0.2 -0.953 19.2-170.2-113.3 108.8 17.4 -6.6 -8.8 6 8 A A E -A 30 0A 22 24,-1.4 24,-2.7 -2,-0.5 2,-0.4 -0.797 7.2-157.9 -98.4 139.9 16.5 -9.9 -10.5 7 9 A K E +A 29 0A 18 9,-0.4 9,-0.5 -2,-0.4 2,-0.3 -0.968 12.6 177.5-128.0 137.4 16.0 -9.9 -14.3 8 10 A D E +AB 28 15A 12 20,-2.1 20,-2.0 -2,-0.4 2,-0.3 -0.983 14.7 135.1-135.3 145.4 14.1 -12.2 -16.8 9 11 A G E +A 27 0A 2 5,-1.2 18,-0.2 -2,-0.3 15,-0.1 -0.977 26.3 3.0-164.5 176.8 13.3 -12.3 -20.6 10 12 A S S S- 0 0 28 16,-1.3 116,-0.2 -2,-0.3 12,-0.0 0.316 85.9 -19.2 53.2-144.0 12.8 -13.5 -24.2 11 13 A I S S+ 0 0 142 114,-0.1 115,-0.2 2,-0.0 -1,-0.1 0.994 126.3 27.5 -75.5 -70.1 13.1 -16.8 -26.2 12 14 A V S S- 0 0 92 113,-0.1 -3,-0.0 1,-0.0 109,-0.0 -0.053 105.4 -98.5 -71.7-171.8 15.2 -19.1 -24.1 13 15 A E + 0 0 30 -5,-0.1 110,-0.1 107,-0.1 -3,-0.1 -0.434 56.1 169.9-117.9 65.7 14.9 -18.3 -20.4 14 16 A P - 0 0 42 0, 0.0 -5,-1.2 0, 0.0 2,-0.2 -0.403 26.7-146.6 -78.2 144.1 17.9 -16.1 -19.6 15 17 A K B +B 8 0A 122 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.415 32.8 163.6 -87.4 179.9 18.6 -14.1 -16.5 16 18 A L - 0 0 39 -9,-0.5 -9,-0.4 -2,-0.2 2,-0.2 -0.975 30.6-123.8 175.5 165.3 20.6 -11.0 -17.0 17 19 A D - 0 0 62 -2,-0.3 -11,-0.0 1,-0.1 0, 0.0 -0.624 64.4 -32.9-124.1-172.0 21.6 -7.6 -15.6 18 20 A E S S+ 0 0 79 -2,-0.2 2,-0.2 -11,-0.0 -1,-0.1 -0.182 93.0 81.6 -53.8 119.1 21.3 -4.0 -16.9 19 21 A I + 0 0 90 -3,-0.1 26,-0.0 26,-0.0 0, 0.0 -0.762 65.3 18.8 170.1 162.5 21.4 -3.8 -20.7 20 22 A S - 0 0 68 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 0.735 39.3-157.8 44.0 76.7 19.6 -4.1 -24.1 21 23 A F + 0 0 43 4,-0.0 2,-0.3 6,-0.0 -1,-0.1 0.597 63.9 111.5 -58.4 -11.4 15.8 -4.0 -24.0 22 24 A E S S+ 0 0 142 3,-0.0 2,-0.3 -12,-0.0 3,-0.0 -0.982 72.6 4.5-132.2 151.7 16.0 -5.8 -27.4 23 25 A D S S+ 0 0 145 -2,-0.3 -13,-0.1 0, 0.0 0, 0.0 -0.420 91.2 119.3 -61.0 -70.9 15.5 -8.2 -28.7 24 26 A Y - 0 0 48 -2,-0.3 3,-0.1 1,-0.1 73,-0.1 0.946 52.4-151.7 47.2 81.2 13.9 -9.5 -25.4 25 27 A R S S+ 0 0 125 1,-0.2 2,-0.3 -3,-0.0 -1,-0.1 0.803 80.8 0.9 -51.1 -35.1 10.3 -10.3 -26.3 26 28 A L - 0 0 20 103,-0.1 -16,-1.3 2,-0.0 2,-0.4 -0.976 68.3-157.2-151.5 148.9 9.3 -9.6 -22.6 27 29 A I E -Ac 9 98A 5 70,-2.3 72,-2.1 -2,-0.3 2,-0.7 -0.936 3.3-164.2-135.2 117.8 11.3 -8.5 -19.5 28 30 A W E -Ac 8 99A 3 -20,-2.0 -20,-2.1 -2,-0.4 2,-0.5 -0.869 13.8-173.7 -94.3 114.1 10.4 -8.9 -15.9 29 31 A I E -Ac 7 100A 6 70,-2.8 72,-2.3 -2,-0.7 2,-0.5 -0.943 2.5-168.2-108.0 123.6 12.5 -6.6 -13.7 30 32 A D E -Ac 6 101A 11 -24,-2.7 -24,-1.4 -2,-0.5 2,-0.4 -0.954 2.1-171.3-113.0 131.1 12.2 -7.0 -9.9 31 33 A C E -Ac 5 102A 0 70,-2.9 72,-2.4 -2,-0.5 2,-0.4 -0.977 3.5-163.4-124.4 129.5 13.7 -4.4 -7.5 32 34 A Y E - c 0 103A 67 -28,-1.5 72,-0.2 -2,-0.4 74,-0.1 -0.943 62.4 -36.0-119.0 129.6 13.9 -4.9 -3.8 33 35 A D S S- 0 0 65 70,-2.3 -1,-0.2 -2,-0.4 71,-0.1 0.758 80.9-164.5 28.8 57.5 14.5 -2.2 -1.1 34 36 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.450 17.0-126.6 -74.9 142.4 16.9 -0.3 -3.4 35 37 A K >> - 0 0 107 -2,-0.1 4,-2.4 1,-0.1 3,-1.1 -0.580 40.2 -97.6 -78.7 153.7 19.2 2.4 -2.1 36 38 A D H 3> S+ 0 0 114 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.710 125.5 61.8 -50.6 -26.0 18.9 5.7 -4.0 37 39 A E H 3> S+ 0 0 136 2,-0.2 4,-2.3 3,-0.2 -1,-0.3 0.975 111.8 36.2 -58.6 -57.5 21.9 4.6 -6.1 38 40 A E H <> S+ 0 0 26 -3,-1.1 4,-3.1 2,-0.2 5,-0.4 0.965 116.1 55.5 -58.1 -52.4 20.0 1.6 -7.4 39 41 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.893 113.4 40.3 -48.5 -50.0 16.7 3.6 -7.5 40 42 A Y H X S+ 0 0 137 -4,-2.7 4,-2.8 2,-0.2 -1,-0.3 0.827 115.2 51.0 -70.5 -37.0 18.2 6.3 -9.7 41 43 A K H X S+ 0 0 95 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.964 113.0 45.6 -64.6 -53.3 20.1 3.9 -11.9 42 44 A L H X S+ 0 0 9 -4,-3.1 4,-2.6 2,-0.2 3,-0.4 0.933 114.1 50.3 -52.7 -49.8 17.1 1.8 -12.5 43 45 A S H X>S+ 0 0 13 -4,-2.4 4,-1.8 -5,-0.4 5,-1.0 0.966 107.6 51.2 -54.8 -56.1 15.0 4.9 -13.1 44 46 A K H <5S+ 0 0 166 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.760 113.7 49.2 -57.6 -24.8 17.5 6.3 -15.6 45 47 A K H <5S+ 0 0 84 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.936 115.7 36.7 -77.2 -48.8 17.3 3.0 -17.4 46 48 A I H <5S- 0 0 2 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.1 0.505 103.4-117.0 -91.2 -1.4 13.5 2.4 -17.6 47 49 A G T <5S+ 0 0 51 -4,-1.8 2,-0.4 1,-0.2 -3,-0.1 0.896 71.8 126.6 69.2 39.5 12.4 6.0 -18.3 48 50 A I < - 0 0 5 -5,-1.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.999 65.9-104.8-129.1 132.3 10.3 6.3 -15.1 49 51 A S > - 0 0 66 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.107 21.6-126.3 -54.2 146.3 10.8 9.2 -12.6 50 52 A V H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.823 115.5 48.5 -64.6 -28.0 12.6 8.3 -9.4 51 53 A S H > S+ 0 0 66 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.903 109.4 50.0 -76.0 -44.9 9.6 9.8 -7.6 52 54 A D H >> S+ 0 0 42 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.941 113.0 48.5 -53.4 -50.1 7.1 7.8 -9.7 53 55 A L H >X S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 4,-0.9 0.887 104.4 60.4 -55.7 -40.9 9.2 4.8 -8.9 54 56 A Q H 3X S+ 0 0 87 -4,-1.4 4,-1.9 1,-0.3 -1,-0.2 0.735 90.2 69.3 -64.5 -23.2 9.1 5.9 -5.2 55 57 A I H << S+ 0 0 41 -4,-1.2 -1,-0.3 -3,-0.9 3,-0.2 0.929 97.6 52.6 -56.9 -43.2 5.3 5.6 -5.3 56 58 A G H << S+ 0 0 2 -3,-1.0 48,-0.3 -4,-0.8 35,-0.3 0.883 109.2 49.2 -57.8 -39.8 5.9 1.9 -5.6 57 59 A L H < S+ 0 0 20 -4,-0.9 2,-0.6 46,-0.2 -1,-0.2 0.736 81.3 97.0 -79.2 -23.2 8.2 1.9 -2.5 58 60 A D >< - 0 0 85 -4,-1.9 3,-0.6 -3,-0.2 31,-0.0 -0.590 66.1-161.7 -67.2 118.5 5.8 3.9 -0.3 59 61 A E T 3 S+ 0 0 75 -2,-0.6 -1,-0.2 1,-0.2 29,-0.1 0.408 75.3 56.1 -97.6 -2.6 4.4 0.8 1.4 60 62 A Q T 3 S+ 0 0 133 2,-0.1 -1,-0.2 17,-0.0 -2,-0.1 0.485 79.6 128.4 -98.4 -4.7 1.1 1.8 3.0 61 63 A E < - 0 0 46 -3,-0.6 28,-0.0 -6,-0.2 -6,-0.0 -0.165 64.4-103.6 -60.9 141.6 -0.2 3.1 -0.3 62 64 A I - 0 0 74 1,-0.1 -1,-0.1 15,-0.0 13,-0.1 -0.464 32.2-105.1 -83.5 133.6 -3.6 1.8 -1.5 63 65 A P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.260 63.0 127.2 -57.2 132.1 -4.1 -0.8 -4.2 64 66 A R E -D 75 0A 49 11,-1.1 11,-3.1 130,-0.1 2,-0.4 -0.960 53.0-111.7-175.3 163.8 -5.3 0.7 -7.5 65 67 A V E -D 74 0A 24 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.945 31.6-178.4-115.4 140.6 -4.7 0.9 -11.2 66 68 A E E -D 73 0A 85 7,-2.1 7,-2.8 -2,-0.4 2,-0.5 -0.996 19.9-143.0-141.8 136.3 -3.5 4.1 -13.0 67 69 A E E +D 72 0A 114 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.806 22.5 171.6 -92.7 130.8 -2.7 5.1 -16.5 68 70 A D E > -D 71 0A 69 3,-2.0 3,-2.3 -2,-0.5 -2,-0.0 -0.985 48.9 -92.0-128.9 143.0 0.2 7.4 -17.1 69 71 A E T 3 S+ 0 0 155 -2,-0.4 3,-0.0 1,-0.3 0, 0.0 -0.309 114.8 14.3 -51.0 133.5 1.4 8.2 -20.6 70 72 A D T 3 S+ 0 0 74 -22,-0.0 -1,-0.3 26,-0.0 2,-0.2 0.600 128.6 37.1 65.9 20.6 4.1 5.6 -21.3 71 73 A F E < -D 68 0A 13 -3,-2.3 -3,-2.0 24,-0.1 2,-0.4 -0.809 65.4-131.5 177.9 157.7 3.4 3.2 -18.4 72 74 A Y E -DE 67 94A 26 22,-2.3 22,-2.6 -2,-0.2 2,-0.6 -0.935 20.2-153.9-113.4 131.9 0.7 1.6 -16.3 73 75 A L E -DE 66 93A 4 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.5 -0.936 12.4-178.5-111.3 118.8 1.0 1.6 -12.5 74 76 A I E -DE 65 92A 0 18,-3.0 18,-2.5 -2,-0.6 2,-0.5 -0.957 9.3-162.0-114.3 131.3 -0.7 -1.1 -10.5 75 77 A I E +DE 64 91A 0 -11,-3.1 -11,-1.1 -2,-0.5 2,-0.3 -0.966 16.9 171.3-112.4 124.2 -0.6 -1.1 -6.7 76 78 A Y - 0 0 1 14,-2.6 2,-0.5 -2,-0.5 13,-0.0 -0.976 28.1-125.8-131.2 141.7 -1.4 -4.5 -5.0 77 79 A K - 0 0 10 -2,-0.3 115,-0.1 111,-0.3 11,-0.1 -0.804 23.6-168.1 -94.6 132.9 -1.1 -5.5 -1.3 78 80 A A - 0 0 3 -2,-0.5 9,-0.1 66,-0.0 64,-0.1 -0.924 24.3-107.7-120.5 138.9 0.8 -8.7 -0.3 79 81 A P - 0 0 5 0, 0.0 29,-0.4 0, 0.0 2,-0.3 -0.301 28.3-171.0 -70.6 141.6 0.9 -10.5 3.0 80 82 A L - 0 0 13 7,-1.8 7,-0.4 1,-0.1 27,-0.0 -0.835 7.4-159.0-121.2 161.9 4.0 -10.5 5.4 81 83 A F > + 0 0 81 -2,-0.3 4,-1.1 5,-0.2 3,-0.2 0.867 24.0 156.3-113.0 -66.0 4.3 -12.6 8.5 82 84 A E T >4 S- 0 0 100 1,-0.2 3,-0.7 2,-0.2 -2,-0.0 0.733 79.6 -51.3 40.1 63.9 6.8 -11.4 11.1 83 85 A E T 34 S- 0 0 179 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.913 117.9 -32.4 44.4 71.2 5.7 -12.9 14.5 84 86 A D T 34 S+ 0 0 92 1,-0.2 2,-0.6 -3,-0.2 -1,-0.3 0.661 113.4 112.9 59.7 19.2 2.0 -11.9 14.6 85 87 A I << + 0 0 99 -4,-1.1 2,-0.5 -3,-0.7 -1,-0.2 -0.952 45.0 170.9-110.7 106.3 2.6 -8.7 12.7 86 88 A T + 0 0 23 -2,-0.6 2,-0.2 -3,-0.1 -5,-0.2 -0.943 12.7 125.7-129.1 113.3 0.8 -9.5 9.6 87 89 A T - 0 0 39 -2,-0.5 -7,-1.8 -7,-0.4 2,-0.1 -0.684 41.5 -87.1-157.1-163.0 0.3 -6.8 7.0 88 90 A T + 0 0 17 -9,-0.2 -11,-0.1 -2,-0.2 -1,-0.1 -0.314 27.8 155.9-128.4 178.9 0.8 -5.7 3.4 89 91 A S + 0 0 3 1,-0.1 -12,-0.1 -2,-0.1 -28,-0.1 0.272 14.1 98.1-149.7 -78.1 2.9 -4.1 0.4 90 92 A L - 0 0 1 -15,-0.1 -14,-2.6 1,-0.1 2,-0.3 0.089 24.1-150.9 -95.4 166.3 3.9 -3.6 -3.4 91 93 A G E -EF 75 102A 0 11,-1.3 11,-2.4 -35,-0.3 2,-0.4 -0.861 8.8-162.5-117.0 159.8 3.8 -1.8 -6.8 92 94 A I E -EF 74 101A 0 -18,-2.5 -18,-3.0 -2,-0.3 2,-0.5 -0.997 0.3-166.5-144.0 130.7 4.2 -2.7 -10.4 93 95 A Y E -EF 73 100A 0 7,-2.4 7,-2.2 -2,-0.4 2,-0.5 -0.970 5.6-174.2-123.2 120.2 4.9 -0.6 -13.5 94 96 A I E +EF 72 99A 2 -22,-2.6 -22,-2.3 -2,-0.5 2,-0.4 -0.954 13.9 156.9-121.3 118.9 4.4 -1.9 -17.0 95 97 A K E > - F 0 98A 23 3,-1.9 3,-2.5 -2,-0.5 2,-0.2 -0.996 68.0 -31.2-135.2 131.7 5.5 0.0 -20.1 96 98 A N T 3 S- 0 0 121 -2,-0.4 34,-0.1 1,-0.3 -25,-0.0 -0.477 129.8 -24.3 61.8-125.0 6.2 -1.5 -23.4 97 99 A N T 3 S+ 0 0 30 -2,-0.2 -70,-2.3 -73,-0.1 2,-0.6 0.338 114.9 109.1 -95.7 4.2 7.5 -5.0 -22.7 98 100 A L E < -cF 27 95A 2 -3,-2.5 -3,-1.9 -72,-0.2 2,-0.5 -0.756 41.4-179.2 -94.5 118.2 8.7 -4.1 -19.2 99 101 A L E -cF 28 94A 0 -72,-2.1 -70,-2.8 -2,-0.6 2,-0.5 -0.976 14.4-171.3-106.8 120.3 6.9 -5.4 -16.1 100 102 A L E -cF 29 93A 0 -7,-2.2 -7,-2.4 -2,-0.5 2,-0.6 -0.969 12.7-169.4-119.4 119.6 8.6 -3.9 -13.0 101 103 A T E +cF 30 92A 0 -72,-2.3 -70,-2.9 -2,-0.5 2,-0.4 -0.955 12.4 177.7-104.6 124.9 7.8 -5.1 -9.5 102 104 A I E +cF 31 91A 0 -11,-2.4 -11,-1.3 -2,-0.6 2,-0.4 -0.988 5.5 170.1-133.2 120.2 9.5 -2.8 -7.0 103 105 A H E -c 32 0A 7 -72,-2.4 -70,-2.3 -2,-0.4 -46,-0.2 -0.993 35.7-152.7-140.7 136.8 8.9 -3.4 -3.4 104 106 A S S S+ 0 0 26 -2,-0.4 2,-0.2 -48,-0.3 -1,-0.1 0.648 87.3 47.3 -82.1 -14.9 10.3 -2.1 -0.1 105 107 A D S S- 0 0 29 -46,-0.0 2,-0.5 -73,-0.0 -72,-0.2 -0.546 101.6 -80.6-113.5-177.0 9.4 -5.3 1.7 106 108 A K - 0 0 101 -2,-0.2 2,-0.7 -74,-0.1 3,-0.1 -0.762 35.4-159.7 -87.8 124.3 9.9 -9.0 1.0 107 109 A I > - 0 0 9 -2,-0.5 4,-1.9 1,-0.1 -27,-0.1 -0.912 4.7-168.5-104.4 110.2 7.3 -10.5 -1.4 108 110 A K H > S+ 0 0 130 -2,-0.7 4,-3.0 -29,-0.4 -1,-0.1 0.818 87.3 57.5 -65.3 -33.1 7.3 -14.2 -1.0 109 111 A A H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.926 105.1 50.7 -66.0 -43.1 5.2 -14.7 -4.1 110 112 A I H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.919 110.6 51.6 -55.0 -43.8 7.8 -12.9 -6.1 111 113 A G H X S+ 0 0 33 -4,-1.9 4,-2.1 2,-0.2 3,-0.3 0.979 108.6 48.8 -56.4 -57.1 10.2 -15.3 -4.5 112 114 A R H 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