==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 04-JAN-08 2JZE . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR A.CHATTERJEE,M.A.JOHNSON,P.SERRANO,B.PEDRINI,J.JOSEPH, . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL 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 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 -4 A G 0 0 97 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.4 -1.4 16.1 6.3 2 -3 A S + 0 0 98 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.448 360.0 97.5-149.6 -28.0 -2.6 13.7 9.0 3 -2 A H - 0 0 180 1,-0.1 2,-0.1 106,-0.0 107,-0.1 -0.040 54.8-144.8 -67.8 172.8 -5.9 12.1 7.8 4 -1 A M + 0 0 68 105,-0.1 106,-0.2 106,-0.0 -1,-0.1 -0.330 42.7 103.9-118.1-163.6 -6.5 8.8 6.0 5 527 A G S S- 0 0 34 104,-1.4 106,-0.2 -2,-0.1 118,-0.0 0.010 73.7 -49.4 96.9 157.5 -9.0 7.7 3.3 6 528 A T + 0 0 13 104,-0.2 2,-0.2 113,-0.1 106,-0.2 -0.232 54.9 169.8 -65.7 147.7 -8.6 7.0 -0.5 7 529 A V - 0 0 32 104,-1.7 106,-0.5 2,-0.1 2,-0.4 -0.769 39.9-113.7-138.7-178.0 -6.8 9.5 -2.8 8 530 A S + 0 0 51 -2,-0.2 2,-0.2 104,-0.2 104,-0.1 -0.742 58.3 144.9-124.0 76.4 -5.6 9.4 -6.5 9 531 A W - 0 0 77 -2,-0.4 104,-0.2 104,-0.1 2,-0.2 -0.682 40.0-132.0-105.6 168.6 -1.8 9.6 -6.1 10 532 A N > - 0 0 73 -2,-0.2 4,-2.4 102,-0.1 5,-0.2 -0.564 40.4 -89.1-107.5 176.6 1.0 8.1 -8.0 11 533 A L H > S+ 0 0 44 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.894 126.0 56.6 -54.7 -43.2 4.1 6.2 -6.7 12 534 A R H > S+ 0 0 202 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.920 109.1 43.9 -52.8 -54.2 6.0 9.5 -6.5 13 535 A E H > S+ 0 0 109 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.899 113.7 50.5 -67.6 -40.7 3.4 11.1 -4.2 14 536 A M H X S+ 0 0 11 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.952 113.7 45.6 -55.4 -52.6 3.1 8.0 -2.0 15 537 A L H X S+ 0 0 18 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.891 115.3 47.2 -58.7 -45.7 6.9 7.8 -1.7 16 538 A A H X S+ 0 0 48 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.947 114.9 45.4 -61.6 -52.1 7.2 11.6 -0.9 17 539 A H H X S+ 0 0 38 -4,-2.8 4,-3.2 1,-0.2 6,-0.3 0.897 111.2 52.9 -58.7 -50.6 4.3 11.5 1.6 18 540 A A H X S+ 0 0 1 -4,-2.9 4,-1.2 -5,-0.2 5,-0.4 0.906 109.8 49.5 -55.1 -45.2 5.7 8.4 3.3 19 541 A E H < S+ 0 0 100 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.950 116.4 40.8 -55.1 -55.2 9.1 10.1 3.7 20 542 A E H < S+ 0 0 163 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.935 121.9 39.9 -64.4 -49.2 7.6 13.2 5.2 21 543 A T H < S- 0 0 37 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.604 96.3-137.2 -75.0 -13.9 5.0 11.5 7.4 22 544 A R < + 0 0 203 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.529 55.4 148.9 58.7 8.7 7.5 8.7 8.4 23 545 A K - 0 0 32 -5,-0.4 34,-0.5 -6,-0.3 -1,-0.2 -0.312 53.6 -96.2 -71.8 158.4 4.4 6.4 7.9 24 546 A L E -ab 57 81A 1 56,-1.9 58,-1.0 -3,-0.1 34,-0.2 -0.361 32.7-160.7 -74.1 151.0 4.8 2.9 6.6 25 547 A M E -a 58 0A 2 32,-2.3 34,-1.7 56,-0.2 2,-0.2 -0.930 5.8-152.2-135.3 108.2 4.4 2.0 2.9 26 548 A P E -a 59 0A 1 0, 0.0 2,-0.4 0, 0.0 58,-0.2 -0.633 11.1-165.7 -81.1 147.9 3.6 -1.6 1.7 27 549 A I E -a 60 0A 5 32,-2.0 34,-2.3 -2,-0.2 2,-0.9 -0.995 22.0-132.7-137.6 121.9 4.8 -2.8 -1.8 28 550 A C E > -a 61 0A 6 -2,-0.4 3,-1.6 32,-0.2 6,-0.2 -0.696 17.5-155.5 -74.6 107.3 3.7 -5.8 -3.8 29 551 A M T 3 S+ 0 0 31 32,-2.1 6,-0.2 -2,-0.9 -1,-0.2 0.786 86.8 73.3 -53.6 -37.0 7.2 -7.3 -4.9 30 552 A D T 3 S+ 0 0 103 31,-0.5 2,-2.1 1,-0.2 -1,-0.3 0.810 80.0 77.9 -46.7 -37.7 5.4 -9.0 -7.8 31 553 A V X> + 0 0 46 -3,-1.6 4,-1.9 1,-0.2 3,-1.9 -0.503 61.3 175.6 -81.7 77.8 5.1 -5.6 -9.5 32 554 A R H 3> S+ 0 0 206 -2,-2.1 4,-2.9 1,-0.3 -1,-0.2 0.754 73.6 69.4 -61.5 -21.4 8.7 -5.4 -10.6 33 555 A A H 3> S+ 0 0 77 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.824 106.1 39.6 -61.7 -34.7 7.8 -2.1 -12.4 34 556 A I H <> S+ 0 0 27 -3,-1.9 4,-2.5 -6,-0.2 5,-0.2 0.863 112.3 57.6 -78.1 -42.0 7.4 -0.6 -8.8 35 557 A M H X S+ 0 0 13 -4,-1.9 4,-3.4 -6,-0.2 5,-0.3 0.948 106.5 48.0 -53.8 -52.9 10.5 -2.6 -7.6 36 558 A A H X S+ 0 0 44 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.915 111.2 51.2 -54.4 -49.8 12.7 -1.0 -10.3 37 559 A T H X S+ 0 0 68 -4,-1.1 4,-1.3 -5,-0.2 -1,-0.2 0.916 117.6 37.7 -51.8 -51.6 11.4 2.5 -9.4 38 560 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 3,-0.2 0.961 115.3 53.1 -69.9 -49.8 12.1 2.1 -5.7 39 561 A Q H < S+ 0 0 88 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.767 104.3 57.9 -58.1 -32.8 15.4 0.2 -6.1 40 562 A R H < S+ 0 0 213 -4,-2.3 3,-0.4 -5,-0.3 -1,-0.2 0.968 118.7 29.8 -60.0 -54.4 16.7 3.0 -8.4 41 563 A K H < S+ 0 0 134 -4,-1.3 2,-1.3 1,-0.3 3,-0.2 0.988 129.7 38.9 -68.0 -60.9 16.3 5.6 -5.7 42 564 A Y S < S+ 0 0 13 -4,-3.0 -1,-0.3 1,-0.2 3,-0.1 -0.668 73.5 145.6 -93.4 76.5 16.8 3.3 -2.6 43 565 A K + 0 0 171 -2,-1.3 -1,-0.2 -3,-0.4 -2,-0.1 0.862 57.3 67.6 -87.5 -35.8 19.6 1.1 -4.0 44 566 A G S S+ 0 0 48 -3,-0.2 2,-0.5 2,-0.1 -1,-0.2 0.702 88.1 83.8 -64.0 -17.9 21.7 0.4 -0.9 45 567 A I S S- 0 0 13 -6,-0.1 2,-0.5 9,-0.1 9,-0.1 -0.738 76.2-143.2 -79.1 129.3 18.8 -1.6 0.5 46 568 A K - 0 0 154 -2,-0.5 2,-0.1 1,-0.0 -2,-0.1 -0.812 33.9-108.4 -80.2 129.4 18.6 -5.2 -0.7 47 569 A I + 0 0 43 -2,-0.5 2,-0.3 -4,-0.1 -1,-0.0 -0.456 46.5 178.4 -57.8 133.5 14.9 -6.0 -1.2 48 570 A Q - 0 0 96 2,-0.2 2,-0.4 -2,-0.1 12,-0.3 -0.940 36.5-104.9-130.3 154.8 13.7 -8.4 1.5 49 571 A E S S+ 0 0 140 -2,-0.3 2,-0.2 10,-0.1 12,-0.2 -0.696 90.7 17.8 -76.0 126.1 10.3 -9.9 2.2 50 572 A G E S+C 60 0A 21 10,-2.5 10,-1.5 -2,-0.4 -2,-0.2 -0.637 113.4 0.3 107.7-168.0 8.8 -8.0 5.2 51 573 A I E +C 59 0A 74 8,-0.2 2,-0.4 -2,-0.2 8,-0.2 -0.409 54.8 179.8 -59.4 123.8 9.6 -4.7 7.0 52 574 A V E -C 58 0A 9 6,-1.6 6,-1.9 -2,-0.2 2,-1.0 -0.828 6.6-170.4-128.5 87.6 12.5 -2.9 5.4 53 575 A D E +C 57 0A 106 -2,-0.4 4,-0.2 4,-0.3 2,-0.2 -0.751 34.6 133.9 -75.1 99.6 13.1 0.4 7.3 54 576 A Y S S- 0 0 102 2,-1.9 2,-2.3 -2,-1.0 -9,-0.1 -0.709 87.3 -40.8-152.0 101.2 15.6 2.1 4.9 55 577 A G S S+ 0 0 67 -2,-0.2 2,-0.3 2,-0.1 -2,-0.1 -0.468 141.5 37.7 77.0 -68.6 14.9 5.8 4.2 56 578 A V S S- 0 0 2 -2,-2.3 -2,-1.9 -4,-0.1 2,-1.7 -0.836 97.4-112.7-109.6 147.2 11.2 5.0 3.9 57 579 A R E -aC 24 53A 81 -34,-0.5 -32,-2.3 -2,-0.3 -4,-0.3 -0.623 50.6-174.4 -82.9 78.6 9.5 2.5 6.2 58 580 A F E -aC 25 52A 0 -6,-1.9 -6,-1.6 -2,-1.7 2,-0.2 -0.342 25.9-162.8 -77.4 161.5 8.7 -0.1 3.6 59 581 A F E -aC 26 51A 16 -34,-1.7 -32,-2.0 -8,-0.2 2,-0.3 -0.731 13.9-167.4-140.5 87.7 6.8 -3.4 3.8 60 582 A F E -aC 27 50A 1 -10,-1.5 -10,-2.5 -12,-0.3 2,-0.3 -0.584 14.7-178.8 -72.7 136.6 7.5 -5.6 0.8 61 583 A Y E -a 28 0A 10 -34,-2.3 -32,-2.1 -2,-0.3 -31,-0.5 -0.970 28.9-112.3-144.1 161.7 5.1 -8.5 0.4 62 584 A T > - 0 0 33 -2,-0.3 3,-1.5 -34,-0.2 8,-0.1 -0.696 17.2-141.3 -95.4 128.6 4.4 -11.6 -1.7 63 585 A S T 3 S+ 0 0 31 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.661 98.3 70.3 -68.6 -16.3 1.2 -11.7 -3.9 64 586 A K T 3 S+ 0 0 191 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.748 78.5 94.6 -71.4 -24.5 0.8 -15.4 -3.0 65 587 A E S < S- 0 0 57 -3,-1.5 2,-0.0 1,-0.1 -4,-0.0 -0.459 93.4-100.4 -62.9 143.4 -0.1 -14.5 0.6 66 588 A P > - 0 0 77 0, 0.0 4,-2.7 0, 0.0 5,-0.3 -0.382 23.6-125.2 -55.2 136.3 -3.8 -14.2 1.2 67 589 A V H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 114.4 57.6 -46.1 -44.2 -5.0 -10.6 1.2 68 590 A A H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 109.0 40.0 -51.0 -58.7 -6.3 -11.6 4.6 69 591 A S H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 115.1 51.9 -63.1 -46.5 -3.0 -12.7 6.1 70 592 A I H X S+ 0 0 3 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.899 110.2 49.2 -62.8 -37.8 -1.0 -9.9 4.6 71 593 A I H >X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.3 3,-1.7 0.962 107.0 55.9 -59.9 -54.3 -3.5 -7.3 6.0 72 594 A T H 3X S+ 0 0 79 -4,-2.3 4,-2.3 1,-0.3 -2,-0.2 0.841 100.9 58.8 -46.2 -39.2 -3.2 -9.0 9.5 73 595 A K H 3X S+ 0 0 79 -4,-1.9 4,-0.6 1,-0.2 -1,-0.3 0.773 110.2 42.4 -68.2 -24.8 0.6 -8.5 9.3 74 596 A L H S+ 0 0 2 -3,-1.7 4,-1.8 -4,-0.8 5,-0.6 0.824 111.1 56.7 -80.2 -37.9 -0.0 -4.7 9.0 75 597 A N H <5S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.861 101.8 55.8 -62.6 -39.1 -2.8 -4.9 11.7 76 598 A S H <5S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 110.6 44.6 -56.7 -44.7 -0.3 -6.4 14.2 77 599 A L H <5S- 0 0 69 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.800 90.7-157.5 -70.9 -32.8 2.0 -3.4 13.7 78 600 A N T <5 + 0 0 103 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.575 38.3 151.2 64.6 12.5 -1.0 -1.1 13.9 79 601 A E < - 0 0 62 -5,-0.6 -1,-0.2 28,-0.1 2,-0.2 -0.469 52.1-107.9 -78.8 145.1 1.1 1.5 12.0 80 602 A P - 0 0 32 0, 0.0 -56,-1.9 0, 0.0 29,-0.2 -0.476 45.1-166.9 -70.7 143.8 -0.5 4.1 9.7 81 603 A L E -bd 24 109A 4 27,-1.1 29,-2.4 -58,-0.2 2,-0.3 -0.705 26.2-155.8-125.7 172.3 0.1 3.4 6.0 82 604 A V E + d 0 110A 1 -58,-1.0 2,-0.3 27,-0.2 29,-0.2 -0.925 44.0 108.7-145.4 125.5 -0.1 4.8 2.4 83 605 A T - 0 0 15 27,-1.7 -56,-0.1 -2,-0.3 29,-0.1 -0.943 65.5 -83.1-165.1-173.0 -0.5 2.5 -0.6 84 606 A M S S- 0 0 66 27,-0.3 29,-0.1 -2,-0.3 4,-0.1 -0.654 77.3 -57.0 -94.7 167.7 -3.0 1.3 -3.4 85 607 A P - 0 0 1 0, 0.0 3,-0.5 0, 0.0 5,-0.3 -0.094 46.6-141.1 -62.9 140.3 -5.5 -1.5 -2.4 86 608 A I S S+ 0 0 4 1,-0.3 2,-0.7 12,-0.2 13,-0.1 0.855 96.1 40.0 -76.4 -39.7 -3.8 -4.6 -1.2 87 609 A G S S+ 0 0 0 11,-0.3 -1,-0.3 4,-0.1 14,-0.2 -0.796 95.4 98.5-105.9 79.1 -6.0 -7.2 -2.8 88 610 A Y S > >S- 0 0 54 -2,-0.7 3,-2.9 -3,-0.5 5,-2.8 -0.280 103.4 -27.0-125.0-140.5 -6.6 -5.5 -6.2 89 611 A V G > 5S+ 0 0 110 3,-0.3 3,-1.6 1,-0.3 -3,-0.1 0.849 134.5 69.0 -38.1 -40.7 -4.8 -6.2 -9.5 90 612 A T G 3 5S+ 0 0 15 -5,-0.3 -1,-0.3 1,-0.3 -60,-0.1 0.426 115.0 25.6 -61.1 -6.8 -1.9 -7.4 -7.1 91 613 A H G < 5S- 0 0 42 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.171 117.9-104.5-132.7 5.2 -4.3 -10.3 -6.2 92 614 A G T < 5S+ 0 0 70 -3,-1.6 -3,-0.3 -4,-0.4 2,-0.2 0.716 76.5 148.9 66.8 22.6 -6.3 -10.3 -9.5 93 615 A F < - 0 0 62 -5,-2.8 -1,-0.2 1,-0.1 2,-0.2 -0.533 49.1-120.5 -90.7 155.5 -9.2 -8.7 -7.5 94 616 A N > - 0 0 83 -2,-0.2 4,-2.9 -6,-0.1 5,-0.1 -0.502 33.2-107.6 -82.9 159.3 -11.8 -6.2 -8.6 95 617 A L H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.795 119.2 50.8 -64.0 -32.2 -12.0 -2.8 -6.9 96 618 A E H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.971 113.5 42.2 -70.3 -56.0 -15.2 -3.8 -5.0 97 619 A E H > S+ 0 0 74 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.881 112.6 58.2 -55.0 -40.4 -13.7 -7.1 -3.6 98 620 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -11,-0.3 0.943 109.2 42.0 -55.0 -54.0 -10.5 -5.1 -3.0 99 621 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.948 115.8 50.3 -59.4 -50.5 -12.3 -2.6 -0.7 100 622 A R H >< S+ 0 0 122 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.929 114.9 42.4 -52.1 -55.2 -14.3 -5.4 1.0 101 623 A C H >< S+ 0 0 32 -4,-3.3 3,-0.9 1,-0.2 -1,-0.2 0.830 113.0 53.9 -62.8 -36.3 -11.2 -7.5 1.7 102 624 A M H >< S+ 0 0 10 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 0.711 88.2 76.5 -80.0 -15.4 -9.2 -4.5 2.8 103 625 A R T << S+ 0 0 125 -4,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.812 79.8 75.1 -59.0 -27.3 -11.8 -3.4 5.4 104 626 A S T < S+ 0 0 71 -3,-0.9 -1,-0.3 -4,-0.5 2,-0.3 0.507 73.7 105.6 -63.1 -6.8 -10.3 -6.3 7.5 105 627 A L < - 0 0 24 -3,-2.1 -33,-0.1 1,-0.1 4,-0.1 -0.604 52.1-171.2 -71.4 140.4 -7.4 -3.9 8.0 106 628 A K + 0 0 160 -2,-0.3 -1,-0.1 -35,-0.2 -2,-0.1 0.231 59.4 87.0-119.8 5.6 -7.4 -2.4 11.6 107 629 A A S S- 0 0 9 -28,-0.1 2,-0.6 -27,-0.0 -28,-0.1 -0.822 87.8-106.8-104.9 149.0 -4.6 0.1 11.1 108 630 A P + 0 0 61 0, 0.0 -27,-1.1 0, 0.0 2,-0.3 -0.662 53.1 166.0 -83.8 115.2 -5.4 3.7 9.7 109 631 A A E -d 81 0A 15 -2,-0.6 -104,-1.4 -29,-0.2 2,-0.4 -0.902 40.8-123.9-135.1 151.7 -4.1 4.0 6.1 110 632 A V E -d 82 0A 7 -29,-2.4 -27,-1.7 -2,-0.3 2,-0.3 -0.777 31.6-163.3 -82.0 134.7 -4.3 6.0 2.9 111 633 A V - 0 0 7 -2,-0.4 -104,-1.7 -106,-0.2 -27,-0.3 -0.757 3.5-155.5-108.1 164.9 -5.5 3.9 -0.1 112 634 A S - 0 0 3 -2,-0.3 2,-0.2 -106,-0.2 -104,-0.2 -0.812 8.2-165.3-129.4 176.4 -5.1 5.0 -3.8 113 635 A V - 0 0 12 -106,-0.5 -104,-0.1 -2,-0.3 6,-0.1 -0.823 39.7 -99.9-145.9-179.8 -6.7 4.2 -7.2 114 636 A S S S+ 0 0 110 -2,-0.2 -106,-0.1 1,-0.1 3,-0.1 0.590 101.4 16.3 -85.7 -9.2 -5.7 4.9 -10.9 115 637 A S S > S- 0 0 58 -108,-0.1 3,-0.7 1,-0.1 4,-0.5 -0.983 76.2-111.9-158.9 156.4 -7.9 8.0 -11.3 116 638 A P T >> S+ 0 0 82 0, 0.0 3,-1.3 0, 0.0 4,-0.8 0.858 113.9 58.8 -64.0 -34.4 -9.7 10.6 -9.2 117 639 A D H 3> S+ 0 0 139 1,-0.3 4,-0.9 2,-0.2 3,-0.1 0.815 101.0 56.7 -67.7 -24.0 -13.2 9.4 -10.3 118 640 A A H <> S+ 0 0 22 -3,-0.7 4,-2.6 1,-0.2 -1,-0.3 0.672 92.7 72.6 -77.4 -16.0 -12.4 5.9 -8.9 119 641 A V H <> S+ 0 0 19 -3,-1.3 4,-2.9 -4,-0.5 5,-0.2 0.974 98.4 44.0 -62.7 -57.4 -11.7 7.5 -5.5 120 642 A T H X S+ 0 0 107 -4,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.850 113.5 53.5 -58.2 -37.8 -15.4 8.2 -4.7 121 643 A T H X S+ 0 0 63 -4,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.972 112.9 41.2 -60.0 -57.2 -16.3 4.7 -6.1 122 644 A Y H >X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 3,-0.6 0.891 113.7 52.4 -61.8 -42.6 -13.9 2.8 -3.8 123 645 A N H 3X S+ 0 0 53 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.882 100.8 63.8 -60.6 -41.3 -14.7 5.0 -0.8 124 646 A G H 3X S+ 0 0 37 -4,-2.0 4,-2.1 -5,-0.2 5,-0.5 0.866 104.4 45.7 -42.6 -45.7 -18.4 4.2 -1.5 125 647 A Y H << S+ 0 0 68 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.829 104.6 61.3 -74.5 -32.2 -17.4 0.5 -0.7 126 648 A L H < S+ 0 0 49 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.738 111.5 40.0 -68.0 -25.9 -15.5 1.5 2.4 127 649 A T H < S- 0 0 77 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.917 85.5-167.6 -70.0 -52.8 -18.8 2.9 3.8 128 650 A S < 0 0 75 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 0.998 360.0 360.0 43.7 73.4 -20.8 -0.0 2.5 129 651 A S 0 0 157 -5,-0.5 -1,-0.1 0, 0.0 -3,-0.0 -0.402 360.0 360.0 48.9 360.0 -24.0 2.0 3.2