==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-11 3V1Q . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H P80; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOTROPIC MULV-RELATED VIRUS VP35; . AUTHOR D.ZHOU,A.WLODAWER . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 11.5 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 . 2 1.3 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 . 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 . 5 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 29.3 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+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 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 500 A A 0 0 138 0, 0.0 8,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 118.2 18.8 29.9 -9.1 2 501 A E - 0 0 51 6,-1.1 2,-0.3 8,-0.4 3,-0.2 -0.403 360.0-146.1 -76.2 157.9 16.3 28.1 -11.3 3 502 A T S S+ 0 0 128 1,-0.1 92,-0.1 -2,-0.1 3,-0.1 -0.938 75.0 19.8-130.4 162.0 13.8 30.1 -13.5 4 503 A H S S+ 0 0 112 -2,-0.3 91,-3.0 1,-0.2 -1,-0.1 0.762 102.8 128.4 48.5 29.9 10.2 29.5 -14.6 5 504 A G - 0 0 23 89,-0.2 89,-0.2 -3,-0.2 -1,-0.2 -0.193 66.8-128.4 -94.9-172.6 10.4 27.1 -11.7 6 505 A T S S+ 0 0 39 86,-0.5 -1,-0.1 1,-0.4 87,-0.1 0.799 97.8 37.4-102.6 -62.1 8.2 26.6 -8.7 7 506 A R S > S- 0 0 15 85,-0.4 3,-1.7 1,-0.2 -1,-0.4 -0.838 78.2-152.8 -92.4 114.8 10.5 26.8 -5.7 8 507 A P T 3 S+ 0 0 89 0, 0.0 -6,-1.1 0, 0.0 -1,-0.2 0.853 90.1 46.5 -64.3 -34.0 13.1 29.4 -6.6 9 508 A D T 3 S+ 0 0 63 -8,-0.2 111,-0.3 -3,-0.1 2,-0.2 0.295 83.3 122.7 -87.4 6.9 15.9 28.0 -4.5 10 509 A L < - 0 0 2 -3,-1.7 -8,-0.4 109,-0.1 2,-0.3 -0.540 44.8-165.2 -67.8 135.2 15.4 24.4 -5.6 11 510 A T B -a 121 0A 32 109,-1.9 111,-2.3 -2,-0.2 4,-0.1 -0.744 26.4-143.1-121.1 163.6 18.5 22.9 -7.2 12 511 A D S S+ 0 0 75 -2,-0.3 112,-0.3 109,-0.2 109,-0.1 0.156 78.6 67.6-100.3 7.5 19.3 19.9 -9.3 13 512 A Q S S- 0 0 129 110,-0.1 -2,-0.1 0, 0.0 109,-0.0 -0.957 96.4 -80.1-129.8 156.1 22.7 18.9 -7.9 14 513 A P - 0 0 72 0, 0.0 66,-0.1 0, 0.0 -2,-0.1 -0.245 40.1-134.3 -57.1 128.9 23.7 17.6 -4.5 15 514 A I > - 0 0 25 1,-0.1 3,-1.5 -4,-0.1 106,-0.1 -0.691 11.7-135.1 -84.2 136.7 24.0 20.2 -1.7 16 515 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.848 101.5 46.5 -60.8 -37.8 27.2 19.8 0.3 17 516 A D T 3 S+ 0 0 86 62,-0.0 61,-0.2 -3,-0.0 -2,-0.0 0.165 78.1 145.9 -91.1 7.9 25.4 20.2 3.7 18 517 A A < - 0 0 26 -3,-1.5 61,-0.2 1,-0.1 3,-0.1 -0.222 37.8-158.3 -54.0 137.9 22.4 17.9 3.1 19 518 A D S S+ 0 0 93 59,-2.4 2,-0.4 1,-0.2 60,-0.2 0.865 79.6 31.4 -77.4 -41.0 21.1 16.0 6.2 20 519 A Y E -b 79 0A 77 58,-2.1 60,-2.6 54,-0.1 2,-0.4 -0.933 56.1-168.8-124.7 143.4 19.4 13.4 4.1 21 520 A T E +b 80 0A 54 -2,-0.4 2,-0.3 58,-0.2 60,-0.2 -0.968 25.9 171.5-125.3 113.4 20.1 11.8 0.7 22 521 A W E -b 81 0A 19 58,-2.5 60,-2.9 -2,-0.4 2,-0.4 -0.851 24.9-145.4-123.2 159.4 17.1 9.7 -0.5 23 522 A Y E -bC 82 42A 7 19,-3.1 19,-2.4 -2,-0.3 2,-0.3 -0.946 17.7-164.8-122.2 139.7 16.1 7.9 -3.6 24 523 A T E +bC 83 41A 0 58,-2.8 60,-0.7 -2,-0.4 2,-0.3 -0.928 9.9 172.3-127.0 150.3 12.5 7.7 -4.8 25 524 A D E - C 0 40A 9 15,-2.0 15,-2.0 -2,-0.3 2,-0.4 -0.977 18.8-157.6-152.2 140.7 10.7 5.5 -7.3 26 525 A G E - C 0 39A 4 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.947 18.9-168.9-100.5 149.5 7.2 4.7 -8.6 27 526 A S E - C 0 38A 16 11,-2.4 11,-2.2 -2,-0.4 2,-0.3 -0.997 7.4-178.0-141.3 141.7 6.6 1.5 -10.3 28 527 A S E + C 0 37A 23 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.986 10.6 156.6-136.4 143.3 3.6 0.3 -12.3 29 528 A F E - C 0 36A 18 7,-2.2 7,-3.7 -2,-0.3 2,-0.4 -0.960 41.2-101.9-158.2 164.4 3.0 -3.1 -14.0 30 529 A L E + C 0 35A 111 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.826 40.9 167.3 -95.6 130.1 0.0 -5.2 -15.1 31 530 A Q E > - C 0 34A 54 3,-2.6 3,-1.2 -2,-0.4 -2,-0.1 -0.938 66.7 -0.8-144.0 131.4 -1.0 -8.2 -12.9 32 531 A E T 3 S- 0 0 174 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.857 131.2 -57.2 63.0 32.4 -4.1 -10.3 -13.1 33 532 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.205 119.8 91.0 88.9 -15.8 -5.3 -8.1 -15.9 34 533 A Q E < S-C 31 0A 98 -3,-1.2 -3,-2.6 -5,-0.0 2,-0.2 -0.859 80.5-103.2-120.9 149.5 -5.1 -4.7 -14.1 35 534 A R E -C 30 0A 101 -2,-0.3 21,-2.3 -5,-0.2 2,-0.3 -0.478 40.4-173.4 -67.8 128.9 -2.5 -2.0 -13.6 36 535 A R E +C 29 0A 47 -7,-3.7 -7,-2.2 -2,-0.2 2,-0.3 -0.907 4.1 178.5-122.8 155.4 -0.8 -2.1 -10.2 37 536 A A E -CD 28 53A 1 16,-0.7 16,-2.9 -2,-0.3 2,-0.3 -0.967 13.3-176.4-152.7 163.7 1.6 0.2 -8.6 38 537 A G E -CD 27 52A 0 -11,-2.2 -11,-2.4 -2,-0.3 2,-0.3 -0.969 11.4-148.1-155.3 172.0 3.7 1.2 -5.6 39 538 A A E -CD 26 51A 0 12,-2.4 12,-2.1 -2,-0.3 2,-0.3 -0.975 13.9-177.9-145.3 151.0 6.1 3.9 -4.4 40 539 A A E -CD 25 50A 0 -15,-2.0 -15,-2.0 -2,-0.3 2,-0.4 -0.998 20.2-157.8-155.9 156.8 9.1 4.1 -2.2 41 540 A V E +CD 24 49A 0 8,-2.4 8,-1.9 -2,-0.3 7,-1.6 -0.995 33.4 157.1-132.3 128.1 11.6 6.4 -0.6 42 541 A T E -CD 23 47A 0 -19,-2.4 -19,-3.1 -2,-0.4 5,-0.2 -0.904 37.1-133.5-144.4 165.6 14.9 4.8 0.5 43 542 A T - 0 0 21 3,-2.1 -21,-0.1 -2,-0.3 98,-0.1 -0.291 58.5 -79.8 -93.1-165.9 18.6 5.4 1.2 44 543 A E S S+ 0 0 68 -23,-0.2 97,-0.1 -2,-0.2 3,-0.1 0.897 126.9 18.1 -59.3 -50.2 21.2 3.1 -0.2 45 544 A T S S+ 0 0 82 1,-0.1 2,-0.4 96,-0.0 -1,-0.1 0.519 117.5 55.4-102.6 -7.9 20.6 0.4 2.4 46 545 A E - 0 0 101 0, 0.0 -3,-2.1 0, 0.0 2,-0.7 -0.976 67.0-126.5-142.6 145.3 17.2 1.0 4.1 47 546 A V E +D 42 0A 69 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.750 22.9 179.0 -89.1 114.3 13.6 1.4 3.2 48 547 A I E S- 0 0 69 -7,-1.6 2,-0.3 -2,-0.7 -6,-0.2 0.900 70.8 -12.8 -78.2 -46.1 12.3 4.6 4.7 49 548 A W E +D 41 0A 36 -8,-1.9 -8,-2.4 2,-0.0 -1,-0.3 -0.966 62.6 170.6-152.2 140.5 8.7 4.3 3.3 50 549 A A E +D 40 0A 22 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.908 7.3 175.7-154.5 139.6 7.0 2.1 0.7 51 550 A R E -D 39 0A 134 -12,-2.1 -12,-2.4 -2,-0.3 99,-0.2 -0.995 30.9-122.5-143.5 142.3 3.4 1.6 -0.2 52 551 A A E -D 38 0A 40 -2,-0.4 -14,-0.3 97,-0.3 98,-0.1 -0.511 33.9-147.1 -69.4 149.0 1.2 -0.1 -2.7 53 552 A L E -D 37 0A 29 -16,-2.9 -16,-0.7 -2,-0.2 3,-0.1 -0.791 29.3 -77.6-119.6 161.3 -1.0 2.3 -4.6 54 553 A P > - 0 0 97 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.170 58.0 -85.9 -64.8 151.4 -4.6 1.7 -5.9 55 554 A A T 3 S+ 0 0 47 1,-0.2 -19,-0.2 -19,-0.1 3,-0.1 -0.238 114.8 35.5 -52.9 138.7 -5.2 -0.3 -9.1 56 555 A G T 3 S+ 0 0 47 -21,-2.3 -1,-0.2 1,-0.3 -20,-0.2 0.069 78.4 142.0 104.5 -20.8 -4.9 1.9 -12.2 57 556 A T < - 0 0 3 -3,-2.0 -1,-0.3 -22,-0.3 2,-0.1 -0.305 45.6-135.4 -63.5 124.4 -2.2 4.1 -10.9 58 557 A S > - 0 0 38 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.390 19.3-113.1 -73.9 159.6 0.3 4.9 -13.7 59 558 A A H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.889 118.2 55.9 -50.8 -43.8 4.0 4.8 -13.3 60 559 A Q H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 109.8 43.2 -60.2 -49.1 4.0 8.6 -13.7 61 560 A R H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 110.9 54.9 -67.5 -36.8 1.6 9.1 -10.9 62 561 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.883 108.0 51.7 -60.9 -37.3 3.4 6.6 -8.7 63 562 A E H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.903 108.2 49.4 -69.8 -42.4 6.6 8.6 -9.3 64 563 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.954 112.1 50.0 -56.2 -49.7 5.0 12.0 -8.3 65 564 A I H X S+ 0 0 40 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.902 109.1 50.4 -56.9 -44.1 3.7 10.3 -5.1 66 565 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.943 114.1 44.2 -60.7 -48.4 7.1 8.8 -4.1 67 566 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.889 112.0 53.0 -66.5 -38.9 8.8 12.2 -4.5 68 567 A T H X S+ 0 0 11 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.924 107.6 51.8 -63.7 -40.2 6.0 14.0 -2.7 69 568 A Q H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.895 107.8 51.8 -65.5 -38.1 6.3 11.6 0.3 70 569 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.901 108.0 51.2 -64.5 -38.9 10.0 12.2 0.5 71 570 A L H < S+ 0 0 0 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.901 110.3 50.6 -63.5 -41.3 9.6 16.0 0.6 72 571 A K H >< S+ 0 0 108 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.933 109.8 48.2 -60.1 -47.4 7.0 15.7 3.4 73 572 A M H 3< S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.677 110.2 54.1 -70.1 -18.8 9.2 13.5 5.6 74 573 A A T >< S+ 0 0 0 -4,-0.9 3,-2.6 -3,-0.3 44,-0.5 0.170 76.4 147.2 -95.9 8.9 12.1 15.9 5.1 75 574 A E T < S+ 0 0 120 -3,-1.7 3,-0.1 1,-0.3 41,-0.1 -0.286 75.3 7.6 -52.5 129.9 10.1 18.9 6.3 76 575 A G T 3 S+ 0 0 34 40,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.410 115.2 96.3 79.9 -0.4 12.4 21.4 8.0 77 576 A K S < S- 0 0 86 -3,-2.6 41,-1.9 42,-0.1 42,-0.8 -0.721 81.7-103.9-116.5 165.2 15.5 19.4 7.0 78 577 A K E - e 0 119A 48 -2,-0.2 -59,-2.4 40,-0.2 -58,-2.1 -0.842 45.3-170.3 -94.8 119.3 18.0 19.7 4.1 79 578 A L E -be 20 120A 0 40,-2.3 42,-1.9 -2,-0.6 2,-0.5 -0.894 28.2-168.6-123.7 130.7 17.4 17.0 1.5 80 579 A N E -be 21 121A 9 -60,-2.6 -58,-2.5 -2,-0.4 2,-0.4 -0.987 27.7-177.5-105.2 121.5 19.1 15.7 -1.6 81 580 A V E -be 22 122A 0 40,-2.3 42,-2.8 -2,-0.5 2,-0.4 -0.987 12.6-154.7-132.9 130.2 16.6 13.5 -3.3 82 581 A Y E -be 23 123A 13 -60,-2.9 -58,-2.8 -2,-0.4 2,-0.3 -0.836 10.3-178.6-104.4 136.6 17.0 11.4 -6.5 83 582 A T E -be 24 124A 0 40,-2.2 42,-1.5 -2,-0.4 -58,-0.1 -0.980 24.1-154.1-125.6 145.2 14.4 10.3 -8.9 84 583 A D S S+ 0 0 29 -60,-0.7 2,-0.7 -2,-0.3 43,-0.3 0.473 73.2 100.2 -86.4 -0.3 14.9 8.1 -12.1 85 584 A S > - 0 0 15 -61,-0.2 4,-2.2 1,-0.2 5,-0.1 -0.753 54.1-168.5 -97.7 114.8 11.7 9.8 -13.5 86 585 A R H > S+ 0 0 181 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.811 93.0 56.2 -64.4 -30.7 12.2 12.6 -16.0 87 586 A Y H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 108.5 42.9 -71.1 -46.5 8.5 13.3 -15.6 88 587 A A H > S+ 0 0 0 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.897 115.3 52.9 -60.9 -38.6 8.7 13.8 -11.8 89 588 A F H X S+ 0 0 42 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.964 112.5 42.3 -60.5 -54.7 11.9 15.8 -12.3 90 589 A A H X S+ 0 0 46 -4,-2.6 4,-3.5 2,-0.2 -1,-0.2 0.894 112.5 53.9 -57.6 -48.7 10.3 18.1 -14.8 91 590 A T H < S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.899 114.6 42.0 -54.1 -44.6 7.1 18.4 -12.8 92 591 A A H < S+ 0 0 0 -4,-2.4 -86,-0.5 -5,-0.2 -85,-0.4 0.912 123.6 37.3 -64.4 -45.4 9.2 19.5 -9.7 93 592 A H H < S+ 0 0 9 -4,-2.8 2,-0.5 -5,-0.2 -87,-0.3 0.815 109.7 56.8 -84.9 -34.1 11.5 21.7 -11.6 94 593 A V S < S- 0 0 82 -4,-3.5 2,-0.3 -5,-0.2 -89,-0.2 -0.882 70.4-137.1-113.6 129.4 9.4 23.4 -14.3 95 594 A H - 0 0 72 -91,-3.0 2,-0.4 -2,-0.5 -3,-0.1 -0.611 18.4-155.4 -82.4 136.9 6.3 25.5 -13.7 96 606 A S - 0 0 58 -2,-0.3 4,-0.1 -5,-0.1 -92,-0.0 -0.941 10.9-159.5-118.1 137.6 3.5 24.9 -16.1 97 607 A E + 0 0 156 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.649 63.1 92.3 -89.9 -18.9 0.8 27.4 -16.9 98 608 A G S S- 0 0 49 1,-0.1 2,-0.1 0, 0.0 -2,-0.1 -0.582 87.9-102.0 -83.2 142.2 -1.8 25.1 -18.2 99 609 A R - 0 0 238 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.407 54.7-100.4 -59.0 128.3 -4.6 23.6 -16.1 100 610 A E - 0 0 71 1,-0.2 4,-0.2 -2,-0.1 -1,-0.1 -0.324 34.4-171.0 -68.4 123.1 -3.4 20.1 -15.5 101 611 A I S S+ 0 0 178 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.717 74.9 29.5 -82.1 -20.6 -5.1 17.5 -17.7 102 612 A K S S+ 0 0 96 1,-0.1 -1,-0.2 2,-0.1 5,-0.1 -0.998 124.2 6.6-142.2 140.9 -3.6 14.5 -15.9 103 613 A N S > S+ 0 0 13 -2,-0.3 4,-2.9 -3,-0.1 5,-0.3 0.775 70.1 157.9 65.0 26.5 -2.5 13.9 -12.3 104 614 A K H > S+ 0 0 132 1,-0.2 4,-2.4 -4,-0.2 5,-0.2 0.906 71.9 45.4 -52.6 -42.9 -3.8 17.2 -11.2 105 615 A N H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 113.8 46.3 -68.4 -41.6 -4.1 16.1 -7.6 106 616 A E H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 114.5 48.8 -69.8 -39.5 -0.7 14.5 -7.4 107 617 A I H X S+ 0 0 8 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.927 110.6 50.6 -63.1 -47.0 1.0 17.4 -9.1 108 618 A L H X S+ 0 0 108 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.916 112.5 46.9 -57.7 -45.6 -0.7 19.9 -6.8 109 619 A A H X S+ 0 0 43 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.878 111.6 50.3 -65.9 -35.1 0.4 17.9 -3.8 110 620 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.942 108.9 53.0 -66.3 -44.5 4.0 17.6 -5.1 111 621 A L H < S+ 0 0 37 -4,-2.8 4,-0.4 1,-0.2 3,-0.3 0.885 110.5 45.9 -60.4 -39.6 4.1 21.4 -5.7 112 622 A K H >< S+ 0 0 155 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.893 110.8 53.7 -67.5 -40.6 3.0 22.2 -2.0 113 623 A A H >< S+ 0 0 3 -4,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.716 88.9 77.7 -71.0 -21.2 5.4 19.7 -0.6 114 624 A L T 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.803 93.3 54.3 -51.7 -32.9 8.4 21.4 -2.5 115 625 A F T < S+ 0 0 115 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.512 89.5 79.2 -86.2 -4.1 8.3 24.1 0.2 116 626 A L S < S+ 0 0 55 -3,-1.7 -40,-2.9 -4,-0.1 -1,-0.2 0.912 73.9 76.9 -70.0 -48.0 8.6 21.7 3.2 117 627 A P S S- 0 0 2 0, 0.0 -39,-0.2 0, 0.0 -42,-0.2 -0.359 78.5-132.4 -66.6 149.3 12.3 20.9 3.3 118 628 A K S S+ 0 0 122 -41,-1.9 2,-0.3 -44,-0.5 -40,-0.2 0.930 94.9 3.8 -65.0 -47.4 14.6 23.6 4.7 119 629 A R E S- e 0 78A 118 -42,-0.8 -40,-2.3 2,-0.0 2,-0.3 -0.966 81.5-171.2-131.9 152.0 16.9 23.2 1.6 120 630 A L E - e 0 79A 2 -111,-0.3 -109,-1.9 -2,-0.3 2,-0.4 -0.988 21.5-179.2-151.6 141.4 16.3 20.9 -1.4 121 631 A S E -ae 11 80A 0 -42,-1.9 -40,-2.3 -2,-0.3 2,-0.5 -0.994 12.4-161.6-130.9 131.9 17.8 19.5 -4.5 122 632 A I E - e 0 81A 0 -111,-2.3 2,-0.4 -2,-0.4 -40,-0.2 -0.984 20.3-172.2-110.9 115.7 15.8 17.2 -6.7 123 633 A I E - e 0 82A 15 -42,-2.8 -40,-2.2 -2,-0.5 2,-0.6 -0.886 19.3-139.4-116.5 136.7 18.3 15.3 -8.9 124 634 A H E + e 0 83A 35 -2,-0.4 -40,-0.2 -112,-0.3 -42,-0.1 -0.845 25.5 176.6 -98.0 124.7 17.6 13.0 -11.7 125 635 A C - 0 0 4 -42,-1.5 2,-0.1 -2,-0.6 -2,-0.0 -0.818 36.1 -93.8-117.2 159.2 19.8 9.9 -11.9 126 636 A P - 0 0 71 0, 0.0 3,-0.3 0, 0.0 13,-0.1 -0.439 39.3-132.3 -71.1 147.5 19.7 7.0 -14.4 127 637 A G S S+ 0 0 16 -43,-0.3 13,-0.1 1,-0.2 9,-0.0 -0.294 77.3 35.9 -89.1 178.1 17.6 3.9 -13.6 128 638 A H S S+ 0 0 168 1,-0.2 2,-0.2 11,-0.1 -1,-0.2 0.662 77.5 168.3 54.2 29.5 18.5 0.1 -13.8 129 639 A Q - 0 0 90 -3,-0.3 -1,-0.2 7,-0.2 11,-0.1 -0.485 33.2-157.2 -84.8 140.1 22.2 0.6 -12.8 130 640 A K + 0 0 202 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.516 55.4 111.0 -90.5 -8.0 24.6 -2.2 -11.9 131 641 A G - 0 0 36 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.025 67.7-137.6 -62.8 165.2 27.2 -0.2 -9.8 132 642 A N + 0 0 141 4,-0.1 -1,-0.1 5,-0.0 -2,-0.0 0.157 67.2 130.0 -95.8 7.3 27.9 -0.3 -6.1 133 643 A S S > S- 0 0 66 1,-0.1 4,-2.6 4,-0.0 5,-0.3 -0.303 75.9-110.9 -53.4 144.6 28.0 3.5 -6.4 134 644 A A H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.927 118.2 45.0 -49.7 -49.8 25.9 5.2 -3.8 135 645 A E H > S+ 0 0 78 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.880 110.7 53.8 -64.3 -39.6 23.4 6.4 -6.4 136 646 A A H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.946 113.4 42.1 -59.2 -50.2 23.3 3.1 -8.2 137 647 A R H X S+ 0 0 81 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.832 114.4 53.7 -68.0 -32.9 22.4 1.3 -4.9 138 648 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.988 112.1 41.5 -64.9 -56.8 20.0 4.1 -3.9 139 649 A N H X S+ 0 0 2 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.891 115.3 51.0 -59.4 -41.5 18.0 3.9 -7.1 140 650 A R H X S+ 0 0 77 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.915 110.3 50.9 -59.1 -41.8 18.1 0.1 -7.2 141 651 A M H X S+ 0 0 46 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.837 111.4 46.4 -66.6 -38.6 16.9 0.0 -3.6 142 652 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.894 112.5 50.1 -73.1 -42.3 14.0 2.4 -4.3 143 653 A D H X S+ 0 0 41 -4,-2.6 4,-2.0 -5,-0.2 5,-0.2 0.928 113.1 47.2 -59.9 -40.8 12.9 0.5 -7.4 144 654 A Q H X S+ 0 0 120 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.897 112.2 47.6 -72.3 -40.6 13.0 -2.8 -5.5 145 655 A A H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.868 112.8 49.1 -66.9 -39.7 11.0 -1.6 -2.5 146 656 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.911 114.7 44.3 -68.2 -39.8 8.3 0.1 -4.7 147 657 A R H X S+ 0 0 123 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.907 113.8 51.5 -73.2 -38.7 7.9 -3.1 -6.8 148 658 A E H X S+ 0 0 107 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.925 108.4 50.3 -62.3 -46.2 7.9 -5.2 -3.8 149 659 A A H X S+ 0 0 20 -4,-2.6 4,-1.7 1,-0.2 -97,-0.3 0.920 113.4 45.6 -57.4 -45.6 5.2 -3.2 -2.0 150 660 A A H X S+ 0 0 3 -4,-2.0 4,-2.1 -99,-0.2 -2,-0.2 0.925 113.7 50.5 -64.8 -41.7 3.0 -3.3 -5.1 151 661 A M H X S+ 0 0 45 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.943 108.5 50.1 -62.4 -48.6 3.6 -7.1 -5.5 152 662 A K H < S+ 0 0 124 -4,-2.9 5,-0.4 1,-0.2 4,-0.2 0.874 111.8 48.3 -61.9 -36.3 2.8 -8.0 -1.9 153 663 A A H >< S+ 0 0 52 -4,-1.7 3,-0.5 -5,-0.2 -1,-0.2 0.896 110.9 49.0 -73.1 -39.6 -0.5 -6.1 -1.9 154 664 A V H 3< S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.982 112.0 48.0 -62.0 -51.2 -1.7 -7.5 -5.2 155 665 A L T 3< S- 0 0 114 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.595 115.3-124.8 -64.6 -6.9 -0.9 -11.1 -4.0 156 666 A E < 0 0 176 -3,-0.5 -3,-0.2 -4,-0.2 -1,-0.1 0.181 360.0 360.0 78.5 -16.0 -2.8 -10.0 -0.8 157 667 A T 0 0 146 -5,-0.4 -2,-0.1 -6,-0.2 -1,-0.1 -0.892 360.0 360.0-171.4 360.0 0.2 -10.9 1.5