==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 27-JAN-13 3W5B . COMPND 2 MOLECULE: SERCA1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR C.TOYOSHIMA,S.IWASAWA,H.OGAWA,A.HIRATA,J.TSUEDA,G.INESI . 997 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 727 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 10.4 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 . 3 0.3 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 . 1 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 . 70 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 355 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.7 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 2 2 2 4 0 1 3 3 1 0 3 0 0 2 2 0 0 0 0 0 0 1 1 0 0 2 RESIDUES PER ALPHA HELIX . 1 0 5 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 0 PARALLEL BRIDGES PER LADDER . 2 4 4 2 4 2 1 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 . 1 0 1 0 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 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 -2 A A 0 0 141 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.3 30.4 -2.5 50.9 2 -1 A I + 0 0 110 2,-0.1 2,-0.3 37,-0.0 36,-0.0 0.685 360.0 74.0 -93.2 -23.5 32.5 -5.5 49.9 3 0 A A S S- 0 0 17 1,-0.1 2,-0.7 225,-0.0 225,-0.1 -0.657 88.9-106.0-100.1 148.5 35.5 -4.8 52.3 4 1 A M - 0 0 12 223,-0.6 2,-0.6 -2,-0.3 3,-0.5 -0.604 45.0-140.0 -67.4 109.4 35.9 -5.2 56.1 5 2 A E - 0 0 131 -2,-0.7 -1,-0.1 1,-0.2 4,-0.0 -0.684 65.9 -10.0 -88.1 115.8 35.7 -1.6 57.1 6 3 A A > + 0 0 19 -2,-0.6 3,-0.9 194,-0.1 -1,-0.2 0.955 59.8 164.5 69.3 58.1 38.1 -0.4 59.9 7 4 A A G > S+ 0 0 2 -3,-0.5 3,-2.1 1,-0.2 190,-0.1 0.794 77.4 69.4 -67.0 -29.8 39.7 -3.6 61.3 8 5 A H G 3 S+ 0 0 23 1,-0.3 189,-2.0 192,-0.2 -1,-0.2 0.740 99.3 49.7 -56.8 -23.9 42.3 -1.2 62.8 9 6 A S G < S+ 0 0 30 -3,-0.9 -1,-0.3 187,-0.2 2,-0.3 -0.048 104.3 78.8-106.1 28.4 39.4 -0.1 65.0 10 7 A K S < S- 0 0 54 -3,-2.1 187,-0.2 185,-0.1 2,-0.2 -0.844 76.1-108.4-131.6 168.7 38.4 -3.7 66.0 11 8 A S > - 0 0 38 -2,-0.3 4,-1.2 185,-0.1 5,-0.2 -0.478 35.3-106.1 -92.8 165.9 39.5 -6.4 68.5 12 9 A T H > S+ 0 0 31 182,-0.3 4,-2.6 1,-0.2 3,-0.2 0.878 123.9 47.7 -59.9 -39.6 41.2 -9.7 67.6 13 10 A E H > S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 106.6 56.2 -66.3 -43.4 37.9 -11.6 68.3 14 11 A E H > S+ 0 0 101 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.723 114.0 42.2 -59.4 -24.3 36.0 -9.1 66.2 15 12 A C H X S+ 0 0 2 -4,-1.2 4,-0.9 -3,-0.2 5,-0.4 0.830 111.2 51.9 -89.0 -40.6 38.4 -10.0 63.4 16 13 A L H X>S+ 0 0 20 -4,-2.6 5,-1.6 1,-0.2 4,-0.8 0.690 114.4 50.3 -66.0 -17.6 38.4 -13.7 64.1 17 14 A A H <5S+ 0 0 64 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.955 94.1 64.5 -82.7 -59.7 34.6 -13.3 63.9 18 15 A Y H <5S+ 0 0 111 -4,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.727 126.3 17.4 -40.3 -33.7 34.0 -11.4 60.6 19 16 A F H <5S- 0 0 22 -4,-0.9 -1,-0.2 132,-0.1 -2,-0.2 0.758 106.5-127.7-108.3 -42.7 35.4 -14.4 58.8 20 17 A G T <5 + 0 0 37 -4,-0.8 2,-0.3 -5,-0.4 -3,-0.2 0.921 50.9 131.1 93.9 79.9 35.1 -17.1 61.4 21 18 A V < - 0 0 19 -5,-1.6 2,-0.3 6,-0.1 -1,-0.2 -0.995 47.0-123.8-159.0 150.9 38.3 -19.0 62.1 22 19 A S > - 0 0 48 -2,-0.3 4,-1.3 4,-0.2 3,-0.2 -0.769 23.0-127.0 -98.8 148.6 40.7 -20.2 64.8 23 20 A E T 4 S+ 0 0 74 -2,-0.3 -1,-0.1 1,-0.2 146,-0.0 0.244 111.0 51.3 -77.6 15.6 44.4 -19.4 65.0 24 21 A T T 4 S+ 0 0 107 2,-0.1 -1,-0.2 109,-0.0 110,-0.1 0.649 120.3 28.8-112.8 -38.1 45.1 -23.1 65.4 25 22 A T T 4 S- 0 0 68 -3,-0.2 -2,-0.2 108,-0.1 112,-0.1 0.948 87.4-162.3 -86.8 -68.8 43.1 -24.3 62.4 26 23 A G < - 0 0 2 -4,-1.3 108,-0.4 109,-0.1 109,-0.2 -0.286 46.6 -24.3 96.2 168.4 43.0 -21.6 59.8 27 24 A L B -a 134 0A 0 106,-1.0 108,-1.2 107,-0.2 109,-0.4 -0.258 69.3-127.2 -55.7 125.6 40.7 -21.1 56.8 28 25 A T > - 0 0 49 106,-0.2 4,-2.9 107,-0.2 3,-0.4 -0.428 26.3-104.1 -76.1 148.6 39.1 -24.4 55.6 29 26 A P H > S+ 0 0 72 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.734 123.8 56.4 -37.5 -31.8 39.3 -25.5 51.9 30 27 A D H > S+ 0 0 113 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.975 110.6 37.3 -65.9 -63.3 35.7 -24.4 51.8 31 28 A Q H > S+ 0 0 45 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.805 113.6 60.9 -61.1 -34.2 36.1 -20.8 53.0 32 29 A V H X S+ 0 0 24 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.956 111.6 37.7 -53.4 -55.1 39.3 -20.7 51.0 33 30 A K H X S+ 0 0 156 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.905 116.5 53.4 -64.2 -45.0 37.3 -21.4 47.9 34 31 A R H X S+ 0 0 130 -4,-3.0 4,-1.5 1,-0.2 3,-0.3 0.905 114.3 39.3 -59.0 -48.7 34.4 -19.2 49.0 35 32 A H H X>S+ 0 0 20 -4,-3.1 4,-2.2 1,-0.2 5,-1.1 0.758 109.4 62.2 -72.7 -28.5 36.5 -16.1 49.7 36 33 A L H <5S+ 0 0 50 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.795 113.1 36.2 -64.6 -29.1 38.6 -16.8 46.6 37 34 A E H <5S+ 0 0 148 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.708 121.2 44.5 -96.1 -26.7 35.4 -16.3 44.5 38 35 A K H <5S+ 0 0 123 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.765 133.7 16.7 -89.3 -32.8 33.7 -13.5 46.5 39 36 A Y T <5S- 0 0 71 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.672 102.3-142.7-108.2 -34.7 36.9 -11.3 47.0 40 37 A G < - 0 0 22 -5,-1.1 190,-0.2 190,-0.1 -3,-0.1 -0.119 38.5 -31.3 91.0 170.1 39.1 -12.8 44.3 41 38 A H - 0 0 72 -5,-0.2 2,-2.1 1,-0.1 106,-0.2 -0.230 64.6-107.0 -60.7 145.4 42.9 -13.5 44.1 42 39 A N S S+ 0 0 14 104,-1.5 2,-0.3 106,-0.2 -1,-0.1 -0.510 85.1 95.0 -75.5 77.2 45.2 -11.2 46.0 43 40 A E S S- 0 0 88 -2,-2.1 188,-0.2 103,-0.1 3,-0.1 -0.975 75.6 -94.6-164.0 150.8 46.6 -9.4 42.9 44 41 A L - 0 0 85 -2,-0.3 2,-0.2 1,-0.2 186,-0.1 0.043 62.4 -67.1 -58.5 172.8 46.0 -6.2 40.8 45 42 A P - 0 0 90 0, 0.0 2,-2.6 0, 0.0 -1,-0.2 -0.494 46.1-114.2 -69.8 132.7 43.9 -6.2 37.6 46 43 A A - 0 0 107 -2,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 -0.443 44.3-149.8 -61.9 77.2 45.2 -8.2 34.7 47 44 A E - 0 0 153 -2,-2.6 -1,-0.0 1,-0.1 -3,-0.0 -0.300 5.6-139.2 -59.9 136.7 45.7 -5.0 32.7 48 45 A E - 0 0 180 1,-0.2 2,-0.9 3,-0.0 -1,-0.1 0.878 16.1-158.5 -69.6 -45.2 45.3 -5.4 29.0 49 46 A G - 0 0 41 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.674 48.8 -54.1 100.9 -79.0 48.1 -3.3 27.6 50 47 A K - 0 0 113 -2,-0.9 2,-0.4 4,-0.0 3,-0.1 -0.952 49.2 -96.7-178.2 171.0 47.0 -2.6 24.0 51 48 A S > - 0 0 45 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.876 27.3-124.9-106.2 146.2 45.9 -4.2 20.7 52 49 A L H > S+ 0 0 114 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.929 110.9 50.0 -42.5 -60.2 48.1 -4.9 17.7 53 50 A W H > S+ 0 0 202 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.935 110.6 46.8 -46.0 -65.4 45.8 -2.9 15.4 54 51 A E H > S+ 0 0 99 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.832 112.3 51.8 -51.4 -40.6 45.6 0.2 17.6 55 52 A L H X S+ 0 0 39 -4,-2.4 4,-1.8 2,-0.2 -1,-0.3 0.904 107.9 51.4 -64.3 -42.3 49.3 0.2 18.1 56 53 A V H X S+ 0 0 21 -4,-2.5 4,-1.5 -3,-0.4 3,-0.3 0.938 108.6 51.8 -58.8 -47.5 49.9 -0.0 14.3 57 54 A I H >< S+ 0 0 97 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.928 107.2 53.3 -53.6 -49.5 47.6 3.0 13.9 58 55 A E H 3< S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 104.2 55.5 -54.0 -39.8 49.6 4.9 16.4 59 56 A Q H >< S+ 0 0 64 -4,-1.8 2,-2.0 -3,-0.3 3,-0.5 0.845 91.5 77.8 -65.1 -32.7 52.8 4.1 14.5 60 57 A F T << S+ 0 0 42 -4,-1.5 -1,-0.2 -3,-0.7 -4,-0.0 -0.476 72.4 83.3 -77.3 73.0 51.2 5.7 11.4 61 58 A E T 3 + 0 0 115 -2,-2.0 -1,-0.2 -3,-0.0 -2,-0.1 0.224 53.0 137.7-157.6 14.6 51.7 9.4 12.4 62 59 A D <> - 0 0 78 -3,-0.5 4,-3.2 1,-0.1 5,-0.3 -0.357 58.4-128.9 -69.9 147.6 55.3 10.3 11.4 63 60 A L H > S+ 0 0 135 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.966 116.1 41.5 -50.7 -54.5 56.2 13.7 9.8 64 61 A L H > S+ 0 0 51 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.874 116.2 47.6 -64.7 -43.3 57.9 11.6 7.1 65 62 A V H > S+ 0 0 12 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.898 115.6 43.7 -69.2 -42.6 55.2 8.9 6.8 66 63 A R H < S+ 0 0 146 -4,-3.2 4,-0.5 2,-0.2 -2,-0.2 0.946 118.5 46.4 -63.5 -48.6 52.3 11.4 6.6 67 64 A I H >X S+ 0 0 62 -4,-2.6 4,-3.0 -5,-0.3 3,-1.3 0.961 116.9 41.8 -56.2 -58.9 54.4 13.5 4.2 68 65 A L H 3X S+ 0 0 2 -4,-3.2 4,-1.5 1,-0.3 5,-0.2 0.948 110.3 55.5 -57.9 -54.3 55.5 10.6 2.0 69 66 A L H 3< S+ 0 0 51 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.616 117.5 39.5 -56.7 -10.2 52.1 8.9 2.0 70 67 A L H X> S+ 0 0 97 -3,-1.3 4,-1.8 -4,-0.5 3,-0.7 0.761 107.0 59.3-105.6 -39.3 50.8 12.2 0.7 71 68 A A H 3X S+ 0 0 5 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.619 105.6 54.1 -64.2 -14.2 53.6 13.2 -1.7 72 69 A A H 3< S+ 0 0 2 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 0.687 104.1 53.5 -90.1 -24.5 52.8 9.9 -3.5 73 70 A C H X> S+ 0 0 48 -3,-0.7 4,-3.5 -5,-0.2 3,-0.6 0.830 105.3 54.4 -75.7 -36.7 49.1 10.8 -3.9 74 71 A I H 3X S+ 0 0 65 -4,-1.8 4,-0.6 1,-0.2 5,-0.2 0.970 109.0 47.4 -59.4 -52.7 50.0 14.0 -5.5 75 72 A S H 3< S+ 0 0 22 -4,-0.9 4,-0.5 1,-0.2 -1,-0.2 0.524 118.6 43.3 -67.9 -6.6 52.1 12.2 -8.1 76 73 A F H <4 S+ 0 0 43 -3,-0.6 4,-0.3 2,-0.2 -2,-0.2 0.804 109.3 50.9-101.3 -48.6 49.2 9.7 -8.6 77 74 A V H < S+ 0 0 88 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.1 0.475 118.8 46.0 -67.9 -1.6 46.2 12.1 -8.8 78 75 A L S >< S+ 0 0 54 -4,-0.6 3,-1.0 -5,-0.2 -1,-0.2 0.733 98.4 63.9-104.4 -39.5 48.5 13.9 -11.3 79 76 A A T 3 S+ 0 0 27 -4,-0.5 7,-0.2 1,-0.3 -2,-0.2 0.387 103.1 56.2 -67.4 5.7 49.6 10.9 -13.5 80 77 A W T 3 S+ 0 0 149 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.683 101.5 52.0-105.7 -30.7 46.0 10.5 -14.4 81 78 A F S < S+ 0 0 148 -3,-1.0 -2,-0.1 -4,-0.1 2,-0.1 -0.034 97.2 88.6-101.7 30.9 45.3 14.0 -15.7 82 79 A E S S- 0 0 83 -3,-0.1 2,-0.5 2,-0.1 3,-0.1 -0.284 85.3 -94.6-111.8-167.5 48.3 13.9 -18.2 83 80 A E S S+ 0 0 186 1,-0.2 -2,-0.1 -2,-0.1 205,-0.1 -0.894 97.6 55.3-123.2 100.6 48.8 12.8 -21.8 84 81 A G S S- 0 0 61 -2,-0.5 2,-1.0 -4,-0.1 -1,-0.2 0.283 72.5-153.2 137.7 76.4 50.2 9.2 -22.0 85 82 A E + 0 0 89 -3,-0.1 2,-0.1 1,-0.1 -5,-0.1 -0.676 48.1 125.0 -92.3 99.9 47.9 6.8 -20.2 86 83 A E + 0 0 186 -2,-1.0 3,-0.4 -7,-0.2 4,-0.3 -0.695 30.8 164.9-141.5 81.7 49.4 3.7 -18.8 87 84 A T > + 0 0 50 1,-0.2 4,-1.8 -2,-0.1 5,-0.2 0.586 39.3 96.2 -86.3 -17.1 48.3 4.1 -15.2 88 85 A I H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.810 88.0 44.9 -48.2 -47.1 48.8 0.7 -13.5 89 86 A T H > S+ 0 0 66 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.943 116.1 44.7 -66.2 -49.3 52.2 1.3 -12.0 90 87 A A H 4 S+ 0 0 21 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.694 112.9 55.6 -67.7 -19.9 51.4 4.9 -10.7 91 88 A F H < S+ 0 0 94 -4,-1.8 4,-0.5 2,-0.1 -2,-0.2 0.909 113.8 36.4 -75.6 -46.4 48.1 3.4 -9.4 92 89 A V H X S+ 0 0 33 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.710 101.6 82.2 -80.7 -21.8 49.7 0.6 -7.3 93 90 A E H X S+ 0 0 42 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.915 93.8 38.5 -54.2 -60.5 52.7 2.8 -6.2 94 91 A P H > S+ 0 0 9 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.807 114.9 58.2 -65.0 -25.1 51.2 4.8 -3.3 95 92 A F H > S+ 0 0 112 -4,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.896 103.6 49.9 -67.8 -42.3 49.3 1.6 -2.2 96 93 A V H X S+ 0 0 11 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.921 105.4 58.0 -61.3 -43.4 52.5 -0.4 -1.9 97 94 A I H X S+ 0 0 3 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.926 110.0 45.1 -45.7 -50.0 53.9 2.5 0.2 98 95 A L H X S+ 0 0 77 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.945 113.6 47.4 -60.2 -53.0 50.9 1.9 2.5 99 96 A L H X S+ 0 0 108 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.896 115.9 45.0 -58.2 -46.0 51.3 -1.9 2.5 100 97 A I H X S+ 0 0 6 -4,-3.4 4,-1.8 2,-0.2 -1,-0.2 0.961 111.2 52.3 -61.3 -53.6 55.0 -1.7 3.2 101 98 A L H X S+ 0 0 5 -4,-2.9 4,-1.4 -5,-0.3 -2,-0.2 0.862 109.9 50.4 -52.2 -39.9 54.4 1.0 5.9 102 99 A I H X S+ 0 0 60 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.939 106.2 54.5 -60.9 -47.8 51.9 -1.3 7.5 103 100 A A H X S+ 0 0 23 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.742 100.7 61.6 -63.3 -24.4 54.5 -4.2 7.4 104 101 A N H X S+ 0 0 38 -4,-1.8 4,-2.6 2,-0.2 3,-0.3 0.980 105.8 45.0 -56.4 -57.2 56.9 -1.9 9.3 105 102 A A H X S+ 0 0 1 -4,-1.4 4,-3.2 1,-0.2 5,-0.4 0.807 104.5 66.8 -57.8 -33.1 54.4 -1.8 12.2 106 103 A I H X S+ 0 0 88 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.955 110.4 32.4 -50.6 -59.7 54.0 -5.6 11.8 107 104 A V H X S+ 0 0 24 -4,-1.6 4,-3.2 -3,-0.3 5,-0.3 0.871 114.5 64.1 -69.3 -37.4 57.5 -6.3 12.9 108 105 A G H X S+ 0 0 19 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.970 110.6 35.0 -44.8 -69.4 57.3 -3.2 15.2 109 106 A V H X S+ 0 0 31 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.865 115.8 61.3 -54.1 -38.5 54.6 -4.8 17.3 110 107 A W H X S+ 0 0 110 -4,-2.0 4,-1.7 -5,-0.4 -2,-0.2 0.944 110.2 35.3 -56.4 -55.0 56.2 -8.1 16.8 111 108 A Q H X S+ 0 0 39 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.871 116.4 52.3 -72.2 -40.1 59.6 -7.3 18.4 112 109 A E H X S+ 0 0 99 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