==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 30-JUN-06 2HJF . COMPND 2 MOLECULE: ANTIBODY FRAGMENT HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.D.FARALDO-GOMEZ,E.KUTLUAY,V.JOGINI,Y.ZHAO,L.HEGINBOTHAM, . 534 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 29.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 51 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 6 7 5 4 4 1 5 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 . 2 0 5 1 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 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 1 A Q 0 0 178 0, 0.0 24,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.9 125.1 122.6 -21.6 2 2 A V - 0 0 90 1,-0.1 24,-0.2 22,-0.1 3,-0.1 -0.033 360.0-160.5 -48.7 155.7 128.1 122.0 -19.4 3 3 A Q + 0 0 60 1,-0.4 2,-0.5 105,-0.2 22,-0.4 0.806 66.6 21.0-104.4 -77.4 131.5 123.4 -20.7 4 4 A L - 0 0 7 104,-0.4 106,-0.6 20,-0.2 2,-0.5 -0.857 67.6-158.0-101.5 132.2 134.6 121.8 -19.1 5 5 A Q B +A 23 0A 115 18,-1.9 18,-1.4 -2,-0.5 104,-0.1 -0.940 12.9 178.9-113.1 131.0 134.2 118.4 -17.4 6 6 A Q - 0 0 22 -2,-0.5 16,-0.1 16,-0.2 104,-0.1 -0.988 33.9-102.8-132.3 141.7 136.7 117.3 -14.8 7 7 A P - 0 0 35 0, 0.0 3,-0.1 0, 0.0 106,-0.1 -0.064 34.4-118.2 -52.3 163.3 137.0 114.0 -12.8 8 8 A G S S- 0 0 30 1,-0.2 105,-2.6 104,-0.2 2,-0.3 0.901 78.2 -24.7 -74.9 -41.8 135.8 114.4 -9.2 9 9 A A E -d 113 0B 8 103,-0.3 2,-0.3 196,-0.2 -1,-0.2 -0.981 48.0-144.3-163.0 169.5 139.1 113.5 -7.5 10 10 A E E -d 114 0B 61 103,-1.9 105,-2.3 -2,-0.3 2,-0.5 -0.980 12.6-147.2-146.2 130.6 142.4 111.7 -7.8 11 11 A L E -d 115 0B 49 -2,-0.3 2,-0.4 103,-0.2 105,-0.2 -0.871 22.7-179.5-101.3 129.6 144.4 109.9 -5.0 12 12 A V E -d 116 0B 8 103,-2.6 105,-0.7 -2,-0.5 3,-0.1 -0.988 21.6-136.6-137.9 130.2 148.1 110.1 -5.3 13 13 A K > - 0 0 133 -2,-0.4 3,-2.7 103,-0.2 73,-0.4 -0.470 47.8 -81.0 -78.0 149.5 150.9 108.7 -3.1 14 14 A P T 3 S+ 0 0 74 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.197 120.3 18.8 -51.0 138.7 154.0 110.8 -2.3 15 15 A G T 3 S+ 0 0 51 71,-2.0 70,-0.4 1,-0.2 72,-0.1 0.230 104.8 112.1 84.2 -15.2 156.4 110.9 -5.2 16 16 A A < - 0 0 37 -3,-2.7 70,-1.4 68,-0.1 69,-1.3 0.006 56.3-136.6 -77.8-171.8 153.7 109.6 -7.6 17 17 A S E - B 0 84A 67 67,-0.3 2,-0.3 68,-0.2 67,-0.2 -0.997 10.1-160.5-151.0 147.5 152.1 111.5 -10.5 18 18 A V E - B 0 83A 17 65,-2.1 65,-1.4 -2,-0.3 2,-0.5 -0.905 13.5-140.8-129.8 157.8 148.6 112.0 -12.0 19 19 A K E - B 0 82A 125 -2,-0.3 63,-0.2 63,-0.2 2,-0.1 -0.912 22.6-159.2-123.2 101.9 147.1 113.1 -15.3 20 20 A L E - B 0 81A 0 61,-2.1 61,-1.5 -2,-0.5 2,-0.3 -0.389 6.2-143.9 -79.2 155.0 144.1 115.3 -15.0 21 21 A S E + B 0 80A 23 59,-0.2 59,-0.2 -2,-0.1 2,-0.2 -0.826 20.9 179.4-122.0 160.2 141.5 115.9 -17.7 22 22 A a E - B 0 79A 2 57,-1.3 57,-3.6 -2,-0.3 2,-0.5 -0.682 12.4-176.3-158.2 90.8 139.4 118.7 -19.0 23 23 A K E -AB 5 78A 56 -18,-1.4 -18,-1.9 55,-0.3 55,-0.3 -0.869 13.7-158.9 -98.7 125.8 137.2 117.8 -21.9 24 24 A A + 0 0 21 53,-2.8 -20,-0.2 -2,-0.5 2,-0.2 -0.455 15.8 177.3-100.7 172.7 135.3 120.7 -23.4 25 25 A S + 0 0 45 -22,-0.4 -22,-0.1 -2,-0.1 -1,-0.1 -0.510 45.5 63.2-145.2-147.5 132.2 121.1 -25.5 26 26 A G S S- 0 0 40 -2,-0.2 2,-0.5 -24,-0.2 -24,-0.0 -0.186 105.3 -0.1 54.3-145.4 130.1 124.1 -26.8 27 27 A Y - 0 0 180 1,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.653 67.0-169.0 -81.0 120.2 131.9 126.4 -29.2 28 28 A T + 0 0 84 -2,-0.5 2,-0.2 -4,-0.1 -2,-0.1 -0.942 10.7 172.6-114.0 126.7 135.6 125.6 -30.0 29 29 A F - 0 0 100 -2,-0.5 3,-0.5 1,-0.0 25,-0.2 -0.639 44.2-116.5-120.7 179.8 137.8 128.0 -31.8 30 30 A T S S+ 0 0 75 1,-0.2 24,-0.1 -2,-0.2 -1,-0.0 0.635 111.6 67.3 -91.3 -16.8 141.5 128.3 -32.7 31 31 A S S S+ 0 0 35 22,-0.1 2,-0.4 69,-0.0 -1,-0.2 -0.084 81.8 122.7 -91.4 34.3 141.8 131.4 -30.6 32 32 A D - 0 0 12 -3,-0.5 22,-0.4 68,-0.1 2,-0.4 -0.860 39.2-175.3-108.6 133.7 141.2 129.2 -27.5 33 33 A W E -E 99 0B 0 66,-2.7 66,-2.7 -2,-0.4 2,-0.5 -0.980 13.9-149.2-124.1 132.3 143.5 128.7 -24.5 34 34 A I E -EF 98 51B 14 17,-2.9 17,-1.5 -2,-0.4 64,-0.2 -0.895 19.4-165.1-102.9 125.4 142.9 126.3 -21.6 35 35 A H E -EF 97 50B 0 62,-1.6 62,-0.9 -2,-0.5 2,-0.4 -0.536 10.6-146.4-102.9 170.7 144.2 127.4 -18.2 36 36 A W E -EF 96 49B 0 13,-1.5 12,-2.8 60,-0.2 13,-1.0 -0.935 13.7-170.0-143.1 115.4 144.8 125.6 -15.0 37 37 A V E -EF 95 47B 1 58,-1.6 58,-1.9 -2,-0.4 2,-0.4 -0.882 9.2-149.1-112.7 141.2 144.4 127.1 -11.6 38 38 A K E -EF 94 46B 33 8,-2.4 8,-2.6 -2,-0.4 2,-0.3 -0.852 12.1-177.3-107.4 138.8 145.4 125.8 -8.2 39 39 A Q E -E 93 0B 19 54,-1.9 54,-1.7 -2,-0.4 6,-0.1 -0.787 11.5-156.6-141.0 95.1 143.5 126.4 -5.0 40 40 A R - 0 0 80 4,-0.4 3,-0.3 -2,-0.3 52,-0.2 -0.328 47.2 -81.0 -63.7 150.2 144.9 125.0 -1.7 41 41 A P S S+ 0 0 109 0, 0.0 2,-1.2 0, 0.0 -1,-0.2 -0.271 116.3 5.3 -55.6 136.7 142.2 124.7 0.9 42 42 A G S S+ 0 0 84 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 -0.229 115.7 91.1 84.8 -49.2 141.6 128.0 2.6 43 43 A H S S- 0 0 127 -2,-1.2 -1,-0.2 -3,-0.3 2,-0.0 -0.030 75.1-110.6 -70.7 179.8 143.9 129.9 0.3 44 44 A G - 0 0 22 1,-0.1 -4,-0.4 -3,-0.1 2,-0.3 -0.035 48.0 -48.5 -98.3-157.8 143.0 131.6 -3.0 45 45 A L - 0 0 16 274,-0.3 2,-0.5 -6,-0.1 -6,-0.2 -0.613 43.4-170.3 -84.7 132.5 143.6 131.1 -6.7 46 46 A E E -F 38 0B 70 -8,-2.6 -8,-2.4 -2,-0.3 2,-0.1 -0.935 22.4-130.0-126.6 108.2 147.1 130.4 -8.2 47 47 A W E +F 37 0B 6 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.322 28.2 175.4 -56.4 124.6 147.7 130.4 -11.9 48 48 A I E - 0 0 9 -12,-2.8 13,-3.1 1,-0.3 2,-0.3 0.874 50.4 -54.0 -98.5 -50.0 149.5 127.3 -13.0 49 49 A G E -FG 36 60B 1 -13,-1.0 -13,-1.5 11,-0.3 -1,-0.3 -0.990 39.8-127.2-176.8 177.8 149.7 127.5 -16.7 50 50 A E E -FG 35 59B 0 9,-2.7 9,-1.7 -2,-0.3 2,-0.3 -0.954 12.9-167.3-142.5 158.6 148.0 127.8 -20.1 51 51 A I E -FG 34 58B 2 -17,-1.5 -17,-2.9 -2,-0.3 7,-0.2 -0.986 16.9-144.2-152.2 140.9 147.9 125.9 -23.4 52 52 A I >> - 0 0 0 5,-2.2 4,-4.6 -2,-0.3 3,-1.4 -0.891 13.3-170.5-107.3 102.2 146.6 126.6 -26.9 53 53 A P T 34 S+ 0 0 30 0, 0.0 21,-0.2 0, 0.0 -1,-0.2 0.888 82.0 64.1 -57.9 -45.6 145.2 123.4 -28.4 54 54 A S T 34 S+ 0 0 31 -22,-0.4 -24,-0.1 -25,-0.2 -21,-0.1 0.457 126.0 16.2 -62.4 0.8 144.8 124.7 -31.9 55 55 A Y T <4 S- 0 0 140 -3,-1.4 -1,-0.2 2,-0.1 -25,-0.0 0.503 97.1-125.9-138.6 -45.8 148.6 125.1 -31.9 56 56 A G < + 0 0 48 -4,-4.6 2,-0.1 1,-0.3 -2,-0.1 0.259 58.0 132.6 114.2 -13.7 150.1 123.0 -29.1 57 57 A R - 0 0 103 -5,-0.4 -5,-2.2 -6,-0.1 2,-0.3 -0.401 31.8-168.7 -76.2 146.1 152.2 125.6 -27.2 58 58 A A E -G 51 0B 23 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.991 11.7-165.5-140.0 147.0 152.2 126.0 -23.4 59 59 A N E -G 50 0B 12 -9,-1.7 -9,-2.7 -2,-0.3 2,-0.3 -0.972 12.4-159.2-128.6 142.0 153.5 128.4 -20.8 60 60 A Y E -G 49 0B 48 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.3 -0.809 36.7 -81.4-121.6 162.5 153.7 127.8 -17.0 61 61 A N - 0 0 26 -13,-3.1 -12,-0.0 -2,-0.3 -13,-0.0 -0.478 36.7-156.3 -64.3 109.1 153.9 130.0 -13.9 62 62 A E S S+ 0 0 120 -2,-0.6 -1,-0.2 1,-0.2 4,-0.1 0.791 86.4 56.5 -57.4 -33.6 157.7 130.9 -13.7 63 63 A K S S+ 0 0 172 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.971 99.0 60.6 -64.8 -59.0 157.5 131.6 -10.0 64 64 A I S S- 0 0 29 1,-0.1 2,-0.3 -16,-0.1 -4,-0.0 -0.092 102.0 -84.9 -65.3 168.1 156.1 128.2 -8.7 65 65 A Q - 0 0 139 1,-0.1 2,-1.8 2,-0.0 3,-0.4 -0.598 44.1-115.2 -76.3 134.2 157.9 124.9 -9.2 66 66 A K + 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 -0.526 61.4 142.6 -75.9 88.6 157.1 123.3 -12.6 67 67 A K + 0 0 77 -2,-1.8 17,-1.4 16,-0.1 -1,-0.2 0.790 55.0 73.8 -90.8 -36.0 155.3 120.2 -11.4 68 68 A A - 0 0 5 -3,-0.4 2,-0.2 15,-0.2 15,-0.2 -0.012 54.7-171.5 -73.6 177.0 152.8 120.4 -14.3 69 69 A T - 0 0 56 11,-0.1 13,-2.1 2,-0.1 2,-0.3 -0.689 17.2-146.1-171.3 109.9 153.1 119.7 -18.0 70 70 A L E +C 81 0A 10 11,-0.2 2,-0.3 -2,-0.2 11,-0.2 -0.631 25.9 154.1 -94.7 147.2 150.3 120.5 -20.4 71 71 A T E -C 80 0A 64 9,-1.5 9,-2.0 -2,-0.3 2,-0.3 -0.853 19.5-154.1-149.0 179.0 149.2 118.7 -23.5 72 72 A A E -C 79 0A 39 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.937 18.0-137.0-167.0 141.5 145.9 118.4 -25.5 73 73 A D E >> -C 78 0A 86 5,-2.2 4,-1.1 -2,-0.3 5,-1.0 -0.775 16.8-161.9-105.4 88.8 144.1 116.0 -27.9 74 74 A K T 45S+ 0 0 117 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.727 86.5 51.6 -38.2 -34.6 142.7 118.2 -30.6 75 75 A S T 45S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.970 112.3 39.1 -72.5 -56.7 140.3 115.4 -31.6 76 76 A S T 45S- 0 0 61 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.416 103.8-125.6 -75.4 1.8 138.6 114.5 -28.3 77 77 A S T <5 + 0 0 50 -4,-1.1 -53,-2.8 1,-0.2 2,-0.4 0.835 62.4 144.2 55.5 36.2 138.6 118.2 -27.3 78 78 A T E < -BC 23 73A 19 -5,-1.0 -5,-2.2 -55,-0.3 2,-0.4 -0.893 40.4-155.0-113.8 136.5 140.4 117.3 -24.1 79 79 A A E -BC 22 72A 3 -57,-3.6 -57,-1.3 -2,-0.4 2,-0.3 -0.820 16.2-161.2-103.8 144.7 143.0 119.2 -22.2 80 80 A F E -BC 21 71A 42 -9,-2.0 -9,-1.5 -2,-0.4 2,-0.4 -0.946 12.1-163.3-130.5 150.0 145.5 117.4 -19.9 81 81 A M E -BC 20 70A 0 -61,-1.5 -61,-2.1 -2,-0.3 2,-0.8 -0.990 7.2-157.0-133.6 126.1 147.8 118.3 -17.0 82 82 A Q E +B 19 0A 46 -13,-2.1 2,-0.6 -2,-0.4 -63,-0.2 -0.805 12.2 179.0-108.6 94.4 150.6 116.1 -15.8 83 83 A L E -B 18 0A 4 -65,-1.4 -65,-2.1 -2,-0.8 2,-0.3 -0.839 14.8-172.0 -93.0 118.5 151.6 116.8 -12.2 84 84 A S E +B 17 0A 51 -17,-1.4 -67,-0.3 -2,-0.6 -68,-0.1 -0.867 53.4 13.8-117.8 150.7 154.5 114.5 -11.3 85 85 A S S S- 0 0 66 -69,-1.3 -1,-0.2 -70,-0.4 -68,-0.2 0.988 82.0-175.0 53.9 71.2 156.2 113.7 -7.9 86 86 A L - 0 0 2 -70,-1.4 -71,-2.0 -73,-0.4 2,-0.3 -0.271 15.0-169.6 -91.7 177.1 153.7 115.4 -5.6 87 87 A T > - 0 0 62 -73,-0.2 4,-0.9 -72,-0.1 3,-0.5 -0.886 51.0 -77.2-152.2 178.9 153.6 116.0 -1.9 88 88 A S T >4 S+ 0 0 81 -2,-0.3 3,-0.7 1,-0.2 28,-0.2 0.837 128.4 64.9 -54.0 -30.7 151.1 117.2 0.8 89 89 A E T 34 S+ 0 0 94 1,-0.2 -1,-0.2 -49,-0.0 -3,-0.1 0.957 96.7 52.2 -54.5 -55.5 151.9 120.6 -0.7 90 90 A D T 34 S+ 0 0 9 -3,-0.5 2,-0.4 -50,-0.0 -1,-0.2 0.671 81.1 113.1 -58.5 -20.2 150.3 119.7 -4.1 91 91 A S << + 0 0 27 -4,-0.9 2,-0.3 -3,-0.7 24,-0.2 -0.415 48.7 98.8 -61.3 113.9 147.1 118.5 -2.4 92 92 A A E S- H 0 114B 6 22,-0.9 22,-2.3 -2,-0.4 2,-0.4 -0.962 76.8 -68.9-175.9 179.5 144.4 121.0 -3.5 93 93 A V E -EH 39 113B 33 -54,-1.7 -54,-1.9 -2,-0.3 2,-0.6 -0.745 41.0-156.4 -89.8 136.3 141.6 121.6 -6.0 94 94 A Y E -EH 38 112B 5 18,-2.6 18,-1.5 -2,-0.4 -56,-0.2 -0.924 10.7-173.0-120.4 108.1 142.6 122.0 -9.6 95 95 A Y E -E 37 0B 11 -58,-1.9 -58,-1.6 -2,-0.6 2,-0.3 -0.503 8.8-155.8 -91.2 161.4 140.2 123.9 -11.9 96 96 A a E -E 36 0B 0 -60,-0.2 13,-2.0 -2,-0.2 2,-0.3 -0.972 14.9-173.6-133.3 145.3 140.5 124.4 -15.7 97 97 A A E -EI 35 108B 0 -62,-0.9 -62,-1.6 -2,-0.3 2,-0.5 -0.875 23.4-118.1-135.3 169.5 138.9 127.3 -17.5 98 98 A R E -EI 34 107B 11 9,-2.0 8,-1.0 -2,-0.3 9,-0.9 -0.956 23.8-168.1-114.0 128.9 138.4 128.4 -21.1 99 99 A E E -E 33 0B 0 -66,-2.7 -66,-2.7 -2,-0.5 6,-0.1 -0.978 17.4-149.3-120.0 123.5 139.9 131.7 -22.3 100 100 A R - 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0 0 39 1,-0.1 3,-2.2 3,-0.1 4,-1.8 -0.201 360.0-140.4 -48.5 112.8 144.8 146.0 -65.9 436 24 C L H >> S+ 0 0 137 1,-0.3 4,-3.5 2,-0.2 3,-0.5 0.877 99.4 54.5 -40.2 -60.0 147.8 144.4 -64.1 437 25 C H H 3> S+ 0 0 44 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.716 111.2 48.7 -54.2 -19.6 148.6 147.3 -61.9 438 26 C W H <> S+ 0 0 104 -3,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.832 109.7 48.7 -88.8 -34.5 145.0 147.2 -60.7 439 27 C R H X S+ 0 0 38 -4,-2.2 4,-1.6 2,-0.2 3,-0.9 0.989 114.7 37.3 -58.4 -64.0 143.9 144.5 -55.7 443 31 C A H >X S+ 0 0 60 -4,-4.7 4,-1.8 1,-0.3 3,-0.9 0.976 110.0 63.4 -48.5 -68.2 145.8 141.5 -54.7 444 32 C A H 3X S+ 0 0 14 -4,-3.5 4,-1.9 1,-0.3 -1,-0.3 0.694 104.4 48.2 -25.7 -42.9 148.1 143.5 -52.6 445 33 C T H X S+ 0 0 110 -4,-1.8 4,-2.2 1,-0.2 3,-0.8 0.899 107.8 52.5 -47.0 -50.0 147.2 139.6 -49.1 448 36 C L H 3X S+ 0 0 20 -4,-1.9 4,-3.8 -5,-0.3 -1,-0.2 0.932 104.6 55.1 -52.8 -50.6 147.8 142.4 -46.5 449 37 C V H 3X S+ 0 0 72 -4,-2.4 4,-1.7 1,-0.3 -1,-0.3 0.816 108.7 49.7 -53.8 -31.6 144.6 141.5 -44.7 450 38 C I H < S+ 0 0 0 -4,-3.1 3,-2.6 8,-0.3 -2,-0.2 0.885 85.9 93.1 -70.4 -46.7 154.6 137.0 -26.8 464 52 C R T 3< S+ 0 0 1 -4,-2.4 6,-0.0 1,-0.3 9,-0.0 -0.276 86.8 39.2 -51.1 133.0 152.7 134.9 -24.3 465 53 C G T 3 S+ 0 0 19 1,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.089 88.4 107.8 109.7 -23.3 155.3 133.5 -22.0 466 54 C A S X S- 0 0 15 -3,-2.6 3,-2.3 -4,-0.0 -152,-0.3 -0.801 75.0-123.6 -91.9 107.6 157.5 136.7 -22.0 467 55 C P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -153,-0.0 -0.167 95.3 17.1 -50.1 140.5 157.2 138.4 -18.5 468 56 C G T 3 S+ 0 0 36 -154,-2.1 2,-0.1 1,-0.3 -2,-0.0 0.475 92.4 144.6 73.5 1.9 156.0 142.0 -18.8 469 57 C A < + 0 0 0 -3,-2.3 -155,-2.3 -155,-0.3 -1,-0.3 -0.473 27.3 179.6 -74.8 145.6 154.7 141.3 -22.3 470 58 C Q + 0 0 44 24,-0.4 2,-2.4 -157,-0.2 3,-0.2 0.583 61.7 89.4-118.4 -20.0 151.6 143.1 -23.4 471 59 C L + 0 0 0 23,-0.3 -8,-0.3 1,-0.2 -7,-0.2 -0.070 63.7 117.4 -71.6 45.4 151.1 142.0 -27.0 472 60 C I + 0 0 0 -2,-2.4 2,-0.3 -160,-0.3 -1,-0.2 0.139 48.3 60.8-110.3 21.0 149.0 139.1 -25.5 473 61 C T S > S- 0 0 3 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.985 74.9-125.6-144.2 131.7 145.4 139.1 -26.5 474 62 C Y H > S+ 0 0 27 -373,-1.2 4,-2.1 -2,-0.3 5,-0.2 0.885 101.2 59.0 -42.3 -58.5 144.1 138.7 -30.1 475 63 C P H >> S+ 0 0 78 0, 0.0 4,-1.3 0, 0.0 3,-1.0 0.913 115.3 31.7 -42.4 -65.6 142.0 141.8 -30.2 476 64 C R H 3> S+ 0 0 56 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.883 112.1 65.4 -64.0 -34.1 144.6 144.4 -29.4 477 65 C A H 3X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.3 -1,-0.3 0.832 101.9 51.3 -53.1 -33.6 147.2 142.3 -31.2 478 66 C L H S+ 0 0 4 -4,-2.1 5,-1.3 1,-0.2 6,-0.9 0.837 117.0 49.4 -68.8 -29.4 149.2 150.5 -36.6 484 72 C T H ><5S+ 0 0 14 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.902 109.4 46.9 -76.8 -42.3 152.4 148.6 -37.4 485 73 C A H 3<5S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.966 111.9 51.1 -63.5 -47.8 151.7 147.8 -41.1 486 74 C T T 3<5S- 0 0 53 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.364 115.6-126.2 -70.8 10.7 150.7 151.4 -41.6 487 75 C T T < 5S+ 0 0 94 -3,-1.4 -3,-0.2 1,-0.1 -1,-0.1 0.475 80.3 112.0 57.8 7.3 154.0 152.1 -40.0 488 76 C V < + 0 0 81 -5,-1.3 -4,-0.2 -6,-0.3 -5,-0.1 0.995 39.1 167.7 -71.0 -68.5 152.5 154.4 -37.3 489 77 C G - 0 0 34 -6,-0.9 -9,-0.1 1,-0.1 -5,-0.1 0.971 24.2-157.7 54.1 87.8 153.0 152.3 -34.2 490 78 C Y - 0 0 160 1,-0.1 -1,-0.1 3,-0.0 4,-0.1 0.658 37.1-116.1 -70.8 -13.7 152.4 154.5 -31.1 491 79 C G S S+ 0 0 43 2,-0.4 3,-0.2 0, 0.0 -1,-0.1 0.638 85.1 121.0 86.8 10.1 154.4 152.3 -28.8 492 80 C D S S+ 0 0 62 1,-0.3 2,-0.3 -12,-0.0 -12,-0.1 0.767 88.0 14.1 -72.6 -29.3 151.2 151.5 -26.8 493 81 C L S S+ 0 0 20 -13,-0.1 -2,-0.4 -22,-0.1 -1,-0.3 -0.988 73.7 155.2-150.2 137.0 152.1 147.9 -27.8 494 82 C Y - 0 0 140 -2,-0.3 -24,-0.4 -3,-0.2 -23,-0.3 -0.964 40.9 -98.7-162.7 148.2 155.1 146.2 -29.2 495 83 C P - 0 0 12 0, 0.0 -36,-0.0 0, 0.0 -2,-0.0 -0.286 25.3-179.6 -65.0 145.3 156.8 142.7 -29.3 496 84 C V + 0 0 55 -30,-0.0 2,-0.3 -25,-0.0 3,-0.0 0.332 58.2 83.1-126.5 0.6 159.6 141.9 -27.0 497 85 C T S > S- 0 0 27 1,-0.1 4,-2.8 -31,-0.1 5,-0.2 -0.717 83.2-119.8-103.9 158.6 160.3 138.4 -28.1 498 86 C L H > S+ 0 0 117 -2,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.890 116.3 42.0 -62.0 -44.4 162.5 137.4 -31.0 499 87 C W H > S+ 0 0 171 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.880 112.0 55.7 -72.6 -36.1 159.7 135.6 -32.8 500 88 C G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.967 110.9 44.9 -57.8 -50.1 157.3 138.4 -31.9 501 89 C R H X S+ 0 0 133 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.908 106.7 58.5 -59.7 -44.6 159.6 140.9 -33.6 502 90 C C H X S+ 0 0 51 -4,-2.3 4,-2.4 1,-0.3 5,-0.2 0.969 107.0 47.9 -50.8 -54.1 160.1 138.7 -36.6 503 91 C V H X S+ 0 0 25 -4,-2.6 4,-3.4 1,-0.2 -1,-0.3 0.904 110.0 54.5 -52.3 -40.2 156.4 138.8 -37.1 504 92 C A H X S+ 0 0 3 -4,-1.9 4,-3.7 1,-0.2 5,-0.3 0.956 105.7 50.8 -58.1 -51.0 156.7 142.6 -36.6 505 93 C V H X S+ 0 0 80 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.904 113.5 46.3 -55.1 -41.2 159.3 142.8 -39.4 506 94 C V H X S+ 0 0 88 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.917 113.7 46.4 -70.6 -41.1 157.0 140.9 -41.7 507 95 C V H X S+ 0 0 1 -4,-3.4 4,-3.3 -5,-0.2 -2,-0.2 0.964 114.2 49.9 -63.1 -46.9 154.0 142.9 -40.9 508 96 C M H X S+ 0 0 87 -4,-3.7 4,-3.1 -5,-0.2 -2,-0.2 0.930 113.7 44.9 -51.8 -53.7 156.0 146.1 -41.3 509 97 C V H X S+ 0 0 74 -4,-2.7 4,-1.6 -5,-0.3 5,-0.3 0.880 114.1 47.2 -63.6 -41.8 157.4 145.0 -44.6 510 98 C A H X S+ 0 0 18 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.960 112.6 51.7 -65.0 -48.3 154.1 143.8 -46.0 511 99 C G H X S+ 0 0 0 -4,-3.3 4,-1.6 -5,-0.3 5,-0.3 0.961 115.6 40.3 -51.3 -57.8 152.5 147.0 -44.8 512 100 C I H X S+ 0 0 99 -4,-3.1 4,-1.9 1,-0.2 5,-0.4 0.971 114.4 49.7 -55.1 -79.1 155.1 149.2 -46.5 513 101 C T H X S+ 0 0 84 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.755 110.6 53.0 -23.0 -59.4 155.4 147.2 -49.8 514 102 C S H >X S+ 0 0 11 -4,-2.6 3,-2.1 -5,-0.3 4,-2.0 0.956 109.2 43.2 -47.5 -70.4 151.7 147.1 -50.3 515 103 C F H 3X S+ 0 0 106 -4,-1.6 4,-2.5 1,-0.3 -1,-0.2 0.843 113.4 54.8 -47.6 -38.4 150.8 150.8 -50.0 516 104 C G H 3X S+ 0 0 41 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.3 0.793 105.2 53.6 -66.3 -28.0 153.8 151.6 -52.1 517 105 C L H X S+ 0 0 53 -4,-2.9 4,-1.9 1,-0.3 3,-0.5 0.938 114.3 46.9 -49.7 -51.9 153.1 152.6 -58.0 521 109 C A H 3X S+ 0 0 2 -4,-3.6 4,-2.1 1,-0.3 -1,-0.3 0.891 108.1 55.3 -59.8 -40.4 149.8 151.5 -59.5 522 110 C L H 3X S+ 0 0 62 -4,-3.4 4,-2.0 -5,-0.2 -1,-0.3 0.856 107.1 53.2 -60.7 -32.1 148.4 154.9 -59.1 523 111 C A H <>S+ 0 0 67 -4,-1.5 3,-1.6 1,-0.2 5,-0.8 0.939 108.3 53.2 -48.4 -52.4 149.7 160.2 -72.9 532 120 C E H ><5S+ 0 0 137 -4,-1.8 3,-2.8 1,-0.3 -1,-0.2 0.927 106.1 50.0 -50.8 -51.1 146.1 160.1 -73.9 533 121 C R H 3<5S+ 0 0 192 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.679 108.3 57.3 -63.1 -13.7 145.6 163.8 -73.1 534 122 C R T <<5S- 0 0 173 -3,-1.6 -1,-0.3 -4,-1.0 -2,-0.2 0.260 118.6-115.8 -97.0 7.3 148.8 164.2 -75.2 535 123 C G T < 5 0 0 73 -3,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.955 360.0 360.0 56.7 55.6 147.1 162.5 -78.1 536 124 C H < 0 0 196 -5,-0.8 -4,-0.2 -4,-0.1 -5,-0.1 0.333 360.0 360.0-144.0 360.0 149.3 159.5 -78.3