*HEADER   POLYSACCHARIDE DEGRADATION              10-FEB-97   1ACZ    
*TITLE    GLUCOAMYLASE, GRANULAR STARCH-BINDING DOMAIN COMPLEX WITH   
*TITLE   2 CYCLODEXTRIN, NMR, 5 STRUCTURES                            
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: GLUCOAMYLASE;                                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: STARCH-BINDING DOMAIN, RESIDUES 509 - 616;       
*COMPND  5 SYNONYM: 1,4-ALPHA-D-GLUCAN GLUCOHYDROLASE;                
*COMPND  6 EC: 3.2.1.3;                                               
*COMPND  7 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER;                    
*SOURCE  3 STRAIN: AB4.1;                                             
*SOURCE  4 EXPRESSION_SYSTEM: ASPERGILLUS NIGER;                      
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: PIGF;                           
*SOURCE  6 EXPRESSION_SYSTEM_GENE: GLAA                               
*KEYWDS   HYDROLASE, STARCH BINDING DOMAIN, GLYCOSIDASE,              
*KEYWDS  2 POLYSACCHARIDE DEGRADATION, GLYCOPROTEIN, ALTERNATIVE      
*KEYWDS  3 SPLICING, SIGNAL                                           
*EXPDTA   NMR, 5 STRUCTURES                                           
*AUTHOR   K.SORIMACHI,M.-F.LE GAL-COEFFET,G.WILLIAMSON,D.B.ARCHER,    
*AUTHOR  2 M.P.WILLIAMSON                                             
*REVDAT  1   07-JUL-97 1ACZ    0                                      

!
!NMR restraints file (X-PLOR format)
!
!Starch binding domain of glucoamylase from Aspergillus niger bound to 2 molecules
! of beta-cyclodextrin
!NMR, 310 K
!
!----------------------------------------------------------------------------------
!
!Distance constraints
!
assign (resid 513 and name   ha )(resid 514 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 513 and name hg2# )(resid 514 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 514 and name   ha )(resid 515 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 514 and name  hb# )(resid 515 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 515 and name   ha )(resid 516 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 515 and name hg1# )(resid 516 and name   hn ) 5.00 3.10 0.80 !u 1
assign (resid 516 and name   ha )(resid 517 and name   hn ) 2.60 0.70 0.40 ! 4
assign (resid 516 and name  hb# )(resid 517 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 517 and name   ha )(resid 518 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 517 and name hg1# )(resid 518 and name   hn ) 3.60 1.70 0.80 !u 2
assign (resid 517 and name hg2# )(resid 518 and name   hn ) 3.60 1.70 0.80 !d 2
assign (resid 518 and name   ha )(resid 519 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 518 and name hg2# )(resid 519 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 519 and name   ha )(resid 520 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 519 and name  hb# )(resid 520 and name   hn ) 5.00 3.10 0.80 !d,u_ol 1
assign (resid 520 and name   ha )(resid 521 and name   hn ) 3.60 1.70 0.80 !ol 2
assign (resid 520 and name  hb1 )(resid 521 and name   hn ) 5.00 3.10 0.80 !d&u,ol 1
assign (resid 520 and name  hb2 )(resid 521 and name   hn ) 5.00 3.10 0.80 !d&u,ol 1
assign (resid 521 and name   ha )(resid 522 and name   hn ) 3.60 1.70 0.80 !ol 2
assign (resid 521 and name  hd# )(resid 522 and name   hn ) 3.60 1.70 0.80 !d 2
assign (resid 522 and name   ha )(resid 523 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 522 and name hg2# )(resid 523 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 523 and name   ha )(resid 524 and name   hn ) 2.40 0.50 0.30 ! 5
assign (resid 523 and name  hb# )(resid 524 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 524 and name   ha )(resid 525 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 524 and name   hb )(resid 525 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 524 and name hg2# )(resid 525 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 525 and name   ha )(resid 526 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 525 and name   hb )(resid 526 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 525 and name hg2# )(resid 526 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 526 and name   ha )(resid 527 and name   hn ) 2.60 0.70 0.40 ! 4
assign (resid 526 and name   hb )(resid 527 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 526 and name hg2# )(resid 527 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 527 and name   ha )(resid 528 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 529 and name   ha )(resid 530 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 529 and name  hb1 )(resid 530 and name   hn ) 5.00 3.10 0.80 !d 1
assign (resid 530 and name   ha )(resid 531 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 530 and name  hb# )(resid 531 and name   hn ) 5.00 3.10 0.80 !u1,d2 1
assign (resid 531 and name   ha )(resid 532 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 531 and name   hb )(resid 532 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 531 and name hg1# )(resid 532 and name   hn ) 5.00 3.10 0.80 !d,200ms 1
assign (resid 531 and name hg2# )(resid 532 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 531 and name  hd# )(resid 532 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 532 and name   ha )(resid 533 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 532 and name  hb# )(resid 533 and name   hn ) 5.00 3.10 0.80 !u&d,200ms 1
assign (resid 533 and name   ha )(resid 534 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 533 and name  hd# )(resid 534 and name   hn ) 3.60 1.70 0.80 !d2,(200ms_u3,d5) 2
assign (resid 534 and name   ha )(resid 535 and name   hn ) 3.00 1.10 0.50 !poss.ol 3
assign (resid 534 and name   hb )(resid 535 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 534 and name hg1# )(resid 535 and name   hn ) 5.00 3.10 0.80 !u,ol 1
assign (resid 534 and name hg2# )(resid 535 and name   hn ) 5.00 3.10 0.80 !u,ol 1
assign (resid 535 and name  ha# )(resid 536 and name   hn ) 3.60 1.70 0.80 !d&u 2
assign (resid 536 and name   ha )(resid 537 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 537 and name   ha )(resid 538 and name   hn ) 3.00 1.10 0.50 !poss.ol 3
assign (resid 537 and name   hb )(resid 538 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 537 and name hg2# )(resid 538 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 538 and name   ha )(resid 539 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 538 and name  hb# )(resid 539 and name   hn ) 5.00 3.10 0.80 !200ms,degen 1
assign (resid 539 and name   ha )(resid 540 and name   hn ) 5.00 3.10 0.80 !ol,200ms 1
assign (resid 540 and name   ha )(resid 541 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 540 and name  hb# )(resid 541 and name   hn ) 5.00 3.10 0.80 !u&d,ol 1
assign (resid 540 and name   hg )(resid 541 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 540 and name  hd# )(resid 541 and name   hn ) 5.00 3.10 0.80 !d&u,200ms 1
assign (resid 542 and name   ha )(resid 543 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 542 and name  hb# )(resid 543 and name   hn ) 5.00 3.10 0.80 !d&u,200ms 1
assign (resid 543 and name   ha )(resid 544 and name   hn ) 5.00 3.10 0.80 !ol,200ms 1
assign (resid 544 and name   ha )(resid 545 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 544 and name  hb1 )(resid 545 and name   hn ) 5.00 3.10 0.80 !u 1
assign (resid 544 and name  hg# )(resid 545 and name   hn ) 5.00 3.10 0.80 !ol,degen 1
assign (resid 545 and name   ha )(resid 546 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 545 and name hg2# )(resid 546 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 546 and name   ha )(resid 547 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 547 and name   ha )(resid 548 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 547 and name  hb# )(resid 548 and name   hn ) 5.00 3.10 0.80 !d&u,200ms 1
assign (resid 548 and name  ha# )(resid 549 and name   hn ) 5.00 3.10 0.80 !u,d_ol 1
assign (resid 549 and name   ha )(resid 550 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 550 and name   ha )(resid 551 and name   hn ) 2.60 0.70 0.40 ! 4
assign (resid 550 and name  hb# )(resid 551 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 551 and name   ha )(resid 552 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 552 and name   ha )(resid 553 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 553 and name  hb# )(resid 554 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 554 and name   ha )(resid 555 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 554 and name  hb# )(resid 555 and name   hn ) 5.00 3.10 0.80 !u,ol,200ms 1
assign (resid 555 and name   ha )(resid 556 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 555 and name  hb# )(resid 556 and name   hn ) 5.00 3.10 0.80 !200ms,degen 1
assign (resid 555 and name  hg# )(resid 556 and name   hn ) 5.00 3.10 0.80 !200ms,u&d 1
assign (resid 555 and name  hd# )(resid 556 and name   hn ) 5.00 3.10 0.80 !200ms,u&d 1
assign (resid 556 and name   ha )(resid 557 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 557 and name   ha )(resid 558 and name   hn ) 2.60 0.70 0.40 ! 4
assign (resid 557 and name   hb )(resid 558 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 557 and name hg2# )(resid 558 and name   hn ) 2.60 0.70 0.40 ! 4
assign (resid 558 and name   ha )(resid 559 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 558 and name  hb# )(resid 559 and name   hn ) 5.00 3.10 0.80 !degen 1
assign (resid 559 and name   ha )(resid 560 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 559 and name  hb# )(resid 560 and name   hn ) 5.00 3.10 0.80 !d&u,200ms 1
assign (resid 561 and name  hb# )(resid 562 and name   hn ) 5.00 3.10 0.80 !d,ol 1
assign (resid 562 and name   ha )(resid 563 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 562 and name   hg )(resid 563 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 562 and name  hd# )(resid 563 and name   hn ) 3.60 1.70 0.80 !d&u 2
assign (resid 563 and name   ha )(resid 564 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 563 and name  hb# )(resid 564 and name   hn ) 5.00 3.10 0.80 !d1,u1_200ms 1
assign (resid 564 and name   ha )(resid 565 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 564 and name  hb1 )(resid 565 and name   hn ) 5.00 3.10 0.80 !u 1
assign (resid 564 and name  hb2 )(resid 565 and name   hn ) 5.00 3.10 0.80 !d 1
assign (resid 565 and name   ha )(resid 566 and name   hn ) 2.60 0.70 0.40 ! 4
assign (resid 565 and name hg2# )(resid 566 and name   hn ) 3.00 1.10 0.50 !d 3
assign (resid 566 and name   ha )(resid 567 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 566 and name hg2# )(resid 567 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 567 and name   ha )(resid 568 and name   hn ) 3.60 1.70 0.80 !ol 2
assign (resid 567 and name   hb )(resid 568 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 567 and name  hg# )(resid 568 and name   hn ) 3.60 1.70 0.80 !degen 2
assign (resid 568 and name   ha )(resid 569 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 568 and name   hb )(resid 569 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 568 and name hg2# )(resid 569 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 570 and name   ha )(resid 571 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 570 and name  hb# )(resid 571 and name   hn ) 5.00 3.10 0.80 !u3,d1 1
assign (resid 571 and name   ha )(resid 572 and name   hn ) 3.60 1.70 0.80 !2sets 2
assign (resid 572 and name  ha# )(resid 573 and name   hn ) 5.00 3.10 0.80 !d&u_ambig 1
assign (resid 573 and name   ha )(resid 574 and name   hn ) 2.60 0.70 0.40 !1set? 4
assign (resid 573 and name  hb# )(resid 574 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 573 and name  hg# )(resid 574 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 574 and name   ha )(resid 575 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 574 and name  hb# )(resid 575 and name   hn ) 5.00 3.10 0.80 !d&u_200ms 1
assign (resid 575 and name   ha )(resid 576 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 575 and name  hb# )(resid 576 and name   hn ) 5.00 3.10 0.80 !one_beta? 1
assign (resid 576 and name   ha )(resid 577 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 577 and name   ha )(resid 578 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 577 and name  hb# )(resid 578 and name   hn ) 5.00 3.10 0.80 !one_beta?,ol 1
assign (resid 578 and name   ha )(resid 579 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 579 and name   ha )(resid 580 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 579 and name  hb# )(resid 580 and name   hn ) 5.00 3.10 0.80 !d&u 1
assign (resid 580 and name   ha )(resid 581 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 580 and name   hb )(resid 581 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 581 and name   ha )(resid 582 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 582 and name   ha )(resid 583 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 582 and name hg2# )(resid 583 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 583 and name   ha )(resid 584 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 584 and name   ha )(resid 585 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 585 and name   ha )(resid 586 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 586 and name   ha )(resid 587 and name   hn ) 5.00 3.10 0.80 !200ms 1
assign (resid 586 and name  hb# )(resid 587 and name   hn ) 5.00 3.10 0.80 !d&u,200ms 1
assign (resid 587 and name   ha )(resid 588 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 587 and name  hb# )(resid 588 and name   hn ) 5.00 3.10 0.80 !degen 1
assign (resid 588 and name   ha )(resid 589 and name   hn ) 3.60 1.70 0.80 !ol 2
assign (resid 588 and name hg1# )(resid 589 and name   hn ) 3.60 1.70 0.80 !u 2
assign (resid 589 and name   ha )(resid 590 and name   hn ) 3.60 1.70 0.80 !ol 2
assign (resid 590 and name   ha )(resid 591 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 592 and name   ha )(resid 593 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 594 and name   ha )(resid 595 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 594 and name  hb# )(resid 595 and name   hn ) 5.00 3.10 0.80 !both,u_ol 1
assign (resid 594 and name  hg# )(resid 595 and name   hn ) 5.00 3.10 0.80 !both 1
assign (resid 594 and name  hd# )(resid 595 and name   hn ) 5.00 3.10 0.80 !both 1
assign (resid 595 and name   ha )(resid 596 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 597 and name   ha )(resid 598 and name   hn ) 3.00 1.10 0.50 !ol 3
assign (resid 598 and name   ha )(resid 599 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 599 and name   ha )(resid 600 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 599 and name hg2# )(resid 600 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 601 and name   ha )(resid 602 and name   hn ) 2.40 0.50 0.30 ! 5
assign (resid 601 and name  hb# )(resid 602 and name   hn ) 3.60 1.70 0.80 !d3,u2 2
assign (resid 606 and name   ha )(resid 607 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 606 and name hg2# )(resid 607 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 608 and name   ha )(resid 609 and name   hn ) 3.60 1.70 0.80 !ol 2
assign (resid 608 and name   hb )(resid 609 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 608 and name hg2# )(resid 609 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 609 and name   ha )(resid 610 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 609 and name  hb# )(resid 610 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 610 and name   ha )(resid 611 and name   hn ) 3.00 1.10 0.50 !ol 3
assign (resid 610 and name hg2# )(resid 611 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 611 and name   ha )(resid 612 and name   hn ) 3.00 1.10 0.50 !ol 3
assign (resid 611 and name hg1# )(resid 612 and name   hn ) 3.60 1.70 0.80 !d 2
assign (resid 612 and name   ha )(resid 613 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 612 and name   hb )(resid 613 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 612 and name hg2# )(resid 613 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 613 and name   ha )(resid 614 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 614 and name   ha )(resid 615 and name   hn ) 5.00 3.10 0.80 !ol,200ms 1
assign (resid 615 and name   ha )(resid 616 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 533 and name  hd# )(resid 540 and name  hd# ) 3.00 1.10 0.50 !u-u 3
assign (resid 533 and name  hd# )(resid 540 and name  hd# ) 3.00 1.10 0.50 !d-u 3
assign (resid 533 and name  hd# )(resid 540 and name  hd# ) 2.40 0.50 0.30 !u-d 5
assign (resid 533 and name  hd# )(resid 540 and name  hd# ) 3.00 1.10 0.50 !d-d 3
assign (resid 517 and name hg1# )(resid 611 and name hg2# ) 2.40 0.50 0.30 !u-u 5
assign (resid 517 and name hg2# )(resid 611 and name hg2# ) 3.00 1.10 0.50 !d-u 3
assign (resid 517 and name hg1# )(resid 611 and name hg1# ) 2.40 0.50 0.30 !u-d 5
assign (resid 517 and name hg2# )(resid 611 and name hg1# ) 3.00 1.10 0.50 !d-d 3
assign (resid 521 and name  hd# )(resid 523 and name  hb# ) 2.40 0.50 0.30 !u 5
assign (resid 521 and name  hd# )(resid 523 and name  hb# ) 2.60 0.70 0.40 !d 4
assign (resid 521 and name  hd# )(resid 531 and name hg2# ) 2.40 0.50 0.30 !u 5
assign (resid 521 and name  hd# )(resid 531 and name hg2# ) 3.00 1.10 0.50 !d 3
assign (resid 521 and name  hd# )(resid 531 and name  hd# ) 2.60 0.70 0.40 !u 4
assign (resid 521 and name  hd# )(resid 531 and name  hd# ) 3.00 1.10 0.50 !d 3
assign (resid 540 and name  hd# )(resid 569 and name  hd# ) 3.00 1.10 0.50 !u-u 3
assign (resid 540 and name  hd# )(resid 569 and name  hd# ) 2.40 0.50 0.30 !d-d 5
assign (resid 540 and name  hd# )(resid 569 and name  hd# ) 2.40 0.50 0.30 !u-d 5
assign (resid 540 and name  hd# )(resid 569 and name  hd# ) 2.60 0.70 0.40 !d-u 4
assign (resid 540 and name  hd# )(resid 569 and name  hb# ) 2.60 0.70 0.40 !u-u 4
assign (resid 540 and name  hd# )(resid 569 and name  hb# ) 3.60 1.70 0.80 !d-u 2
assign (resid 580 and name hg2# )(resid 588 and name hg1# ) 2.60 0.70 0.40 !u 4
assign (resid 580 and name  hd# )(resid 588 and name hg1# ) 2.60 0.70 0.40 !u 4
assign (resid 582 and name  hd# )(resid 588 and name hg1# ) 2.40 0.50 0.30 !u 5
assign (resid 523 and name  hb# )(resid 531 and name  hd# ) 3.00 1.10 0.50 ! 3
assign (resid 533 and name  hd# )(resid 549 and name   hb ) 3.60 1.70 0.80 !u 2
assign (resid 533 and name  hd# )(resid 551 and name  hd# ) 3.60 1.70 0.80 !u-u 2
assign (resid 533 and name  hd# )(resid 551 and name  hd# ) 3.00 1.10 0.50 !d-d 3
assign (resid 533 and name  hd# )(resid 551 and name  hd# ) 3.00 1.10 0.50 !u-d 3
assign (resid 533 and name  hd# )(resid 551 and name  hd# ) 3.60 1.70 0.80 !d-u 2
assign (resid 534 and name hg2# )(resid 580 and name hg2# ) 2.60 0.70 0.40 !u 4
assign (resid 534 and name hg1# )(resid 580 and name hg2# ) 2.40 0.50 0.30 !d 5
assign (resid 537 and name hg1# )(resid 569 and name  hd# ) 2.40 0.50 0.30 !d-u 5
assign (resid 551 and name   hn )(resid 552 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 514 and name   hn )(resid 515 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 523 and name   hn )(resid 563 and name  hd1 ) 3.00 1.10 0.50 ! 3
assign (resid 513 and name   hn )(resid 514 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 563 and name  hd1 )(resid 563 and name  he1 ) 5.00 3.10 0.80 ! 1
assign (resid 552 and name   hn )(resid 553 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 538 and name   hn )(resid 539 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 518 and name   hn )(resid 519 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 519 and name   hn )(resid 520 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 520 and name   hn )(resid 521 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 521 and name   hn )(resid 522 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 613 and name   hn )(resid 614 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 583 and name   hn )(resid 584 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 532 and name   hn )(resid 533 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 522 and name   hn )(resid 523 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 549 and name   hn )(resid 550 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 612 and name   hn )(resid 613 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 611 and name   hn )(resid 612 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 610 and name   hn )(resid 611 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 614 and name   hn )(resid 615 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 523 and name   hn )(resid 524 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 592 and name   hn )(resid 593 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 588 and name   hn )(resid 589 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 554 and name   hn )(resid 555 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 553 and name   hn )(resid 554 and name   hn ) 3.60 1.70 0.80 ! 2
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assign (resid 587 and name   hn )(resid 588 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 528 and name   hn )(resid 529 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 598 and name  he# )(resid 599 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 556 and name   hn )(resid 556 and name  he# ) 3.60 1.70 0.80 ! 2
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assign (resid 556 and name  he# )(resid 563 and name  hd1 ) 5.00 3.10 0.80 ! 1
assign (resid 532 and name  hd# )(resid 551 and name   hn ) 3.00 1.10 0.50 !poss_ol_531(5_b4) 3
assign (resid 564 and name   ha )(resid 564 and name  hd# ) 2.60 0.70 0.40 ! 4
assign (resid 564 and name   ha )(resid 564 and name  he# ) 5.00 3.10 0.80 ! 1
assign (resid 527 and name   hn )(resid 528 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 543 and name   hn )(resid 544 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 548 and name   hn )(resid 549 and name   hn ) 3.00 1.10 0.50 ! 3
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assign (resid 556 and name  hd# )(resid 557 and name   hn ) 3.00 1.10 0.50 ! 3
assign (resid 554 and name   hn )(resid 564 and name  he# ) 5.00 3.10 0.80 ! 1
assign (resid 532 and name  hd# )(resid 534 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 598 and name   hn )(resid 599 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 564 and name   hn )(resid 564 and name  hd# ) 2.60 0.70 0.40 ! 4
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assign (resid 564 and name  hd# )(resid 565 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 564 and name  he# )(resid 565 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 532 and name  hd# )(resid 550 and name   hn ) 2.40 0.50 0.30 ! 5
assign (resid 599 and name   hn )(resid 600 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 577 and name   hn )(resid 577 and name  hd# ) 5.00 3.10 0.80 ! 1
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assign (resid 537 and name   hn )(resid 538 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 519 and name   hn )(resid 519 and name  hd# ) 2.40 0.50 0.30 ! 5
assign (resid 519 and name   hn )(resid 519 and name  he# ) 5.00 3.10 0.80 ! 1
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assign (resid 556 and name  he# )(resid 563 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 555 and name   hn )(resid 556 and name  hd# ) 5.00 3.10 0.80 ! 1
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assign (resid 610 and name   ha )(resid 611 and name   hb ) 3.60 1.70 0.80 !ol 2
assign (resid 533 and name  hb# )(resid 577 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 612 and name hg2# )(resid 613 and name   ha ) 3.60 1.70 0.80 !ol 2
assign (resid 533 and name  hb# )(resid 579 and name   ha ) 5.00 3.10 0.80 !u 1
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assign (resid 533 and name   hg )(resid 577 and name   ha ) 5.00 3.10 0.80 !ol 1
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assign (resid 530 and name   ha )(resid 531 and name hg2# ) 3.60 1.70 0.80 !ol 2
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assign (resid 530 and name   ha )(resid 531 and name  hd# ) 5.00 3.10 0.80 ! 1
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assign (resid 536 and name   hn )(resid 543 and name  he1 ) 5.00 3.10 0.80 ! 1
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assign (resid 551 and name   hg )(resid 566 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 531 and name   ha )(resid 532 and name  hd# ) 3.00 1.10 0.50 ! 3
assign (resid 545 and name   ha )(resid 547 and name   hn ) 3.60 1.70 0.80 ! 2
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assign (resid 534 and name   hb )(resid 544 and name   hn ) 5.00 3.10 0.80 ! 1
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assign (resid 534 and name hg1# )(resid 544 and name   hn ) 3.60 1.70 0.80 !d 2
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assign (resid 534 and name hg1# )(resid 543 and name   hn ) 3.00 1.10 0.50 !d 3
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assign (resid 580 and name hg2# )(resid 590 and name  hd1 ) 3.00 1.10 0.50 !ol 3
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assign (resid 531 and name  hd# )(resid 615 and name  hz3 ) 3.60 1.70 0.80 ! 2
assign (resid 519 and name  hd# )(resid 611 and name hg1# ) 2.40 0.50 0.30 !d 5
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assign (resid 517 and name hg1# )(resid 598 and name  hd# ) 2.40 0.50 0.30 !u 5
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assign (resid 540 and name  hd# )(resid 577 and name  he# ) 3.60 1.70 0.80 !u4,d2 2
assign (resid 519 and name  hd# )(resid 521 and name  hd# ) 5.00 3.10 0.80 !u,d_ol 1
assign (resid 580 and name  hd# )(resid 590 and name  hz3 ) 5.00 3.10 0.80 ! 1
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assign (resid 569 and name  hd# )(resid 577 and name  he# ) 5.00 3.10 0.80 !u 1
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assign (resid 519 and name  hd# )(resid 549 and name hg2# ) 5.00 3.10 0.80 !ol 1
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assign (resid 531 and name  hd# )(resid 581 and name   ha ) 3.00 1.10 0.50 ! 3
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assign (resid 580 and name hg2# )(resid 590 and name   ha ) 2.40 0.50 0.30 ! 5
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assign (resid 534 and name   hb )(resid 548 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 534 and name hg1# )(resid 548 and name   hn ) 5.00 3.10 0.80 !u&d_ol 1
assign (resid 534 and name hg2# )(resid 548 and name   hn ) 5.00 3.10 0.80 !u&d_ol 1
assign (resid 545 and name   ha )(resid 548 and name   hn ) 3.60 1.70 0.80 ! 2
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assign (resid 537 and name  hd# )(resid 539 and name  hb1 ) 5.00 3.10 0.80 !d 1
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assign (resid 569 and name  hd# )(resid 570 and name  hd# ) 2.60 0.70 0.40 !u-u&d 4
assign (resid 545 and name   ha )(resid 580 and name  hd# ) 3.60 1.70 0.80 ! 2
assign (resid 582 and name  hd# )(resid 587 and name  hb# ) 2.60 0.70 0.40 ! 4
assign (resid 553 and name  hb# )(resid 560 and name   ha ) 2.60 0.70 0.40 ! 4
assign (resid 520 and name   ha )(resid 565 and name hg1# ) 2.60 0.70 0.40 !u 4
assign (resid 532 and name   ha )(resid 551 and name  hd# ) 2.60 0.70 0.40 !d 4
assign (resid 518 and name   ha )(resid 566 and name hg2# ) 3.00 1.10 0.50 ! 3
assign (resid 516 and name  hb# )(resid 608 and name   ha ) 3.00 1.10 0.50 ! 3
assign (resid 515 and name hg1# )(resid 608 and name   ha ) 3.00 1.10 0.50 !u 3
assign (resid 531 and name  hd# )(resid 579 and name  he# ) 5.00 3.10 0.80 ! 1
assign (resid 531 and name  hd# )(resid 579 and name   hz ) 5.00 3.10 0.80 !ol 1
assign (resid 519 and name  he# )(resid 567 and name   hb ) 2.60 0.70 0.40 ! 4
assign (resid 519 and name  he# )(resid 567 and name  hg# ) 2.60 0.70 0.40 !u&d,ol 4
assign (resid 517 and name   hb )(resid 519 and name  he# ) 2.60 0.70 0.40 ! 4
assign (resid 517 and name hg2# )(resid 519 and name  he# ) 2.60 0.70 0.40 !d 4
assign (resid 520 and name   ha )(resid 520 and name  hb2 ) 3.60 1.70 0.80 ! 2
assign (resid 520 and name   hn )(resid 520 and name  hb1 ) 3.00 1.10 0.50 ! 3
assign (resid 520 and name   hn )(resid 520 and name  hb2 ) 3.60 1.70 0.80 ! 2
assign (resid 527 and name   ha )(resid 527 and name  hb1 ) 3.60 1.70 0.80 ! 2
assign (resid 527 and name   hn )(resid 527 and name  hb1 ) 3.00 1.10 0.50 ! 3
assign (resid 527 and name   hn )(resid 527 and name  hb2 ) 3.00 1.10 0.50 ! 3
assign (resid 529 and name   ha )(resid 529 and name  hb1 ) 3.60 1.70 0.80 ! 2
assign (resid 529 and name   ha )(resid 529 and name  hb2 ) 3.60 1.70 0.80 ! 2
assign (resid 529 and name   hn )(resid 529 and name  hb2 ) 3.60 1.70 0.80 ! 2
assign (resid 539 and name   ha )(resid 539 and name  hb1 ) 2.60 0.70 0.40 ! 4
assign (resid 539 and name   ha )(resid 539 and name  hb2 ) 3.00 1.10 0.50 ! 3
assign (resid 539 and name   hn )(resid 539 and name  hb1 ) 3.00 1.10 0.50 ! 3
assign (resid 539 and name   hn )(resid 539 and name  hb2 ) 3.00 1.10 0.50 ! 3
assign (resid 544 and name   ha )(resid 544 and name  hb1 ) 2.60 0.70 0.40 ! 4
assign (resid 544 and name   ha )(resid 544 and name  hb2 ) 3.00 1.10 0.50 ! 3
assign (resid 544 and name   hn )(resid 544 and name  hb1 ) 3.00 1.10 0.50 ! 3
assign (resid 544 and name   hn )(resid 544 and name  hb2 ) 3.00 1.10 0.50 ! 3
assign (resid 552 and name   ha )(resid 552 and name  hb1 ) 3.00 1.10 0.50 ! 3
assign (resid 552 and name   ha )(resid 552 and name  hb2 ) 3.00 1.10 0.50 ! 3
assign (resid 552 and name   hn )(resid 552 and name  hb1 ) 3.00 1.10 0.50 ! 3
assign (resid 552 and name   hn )(resid 552 and name  hb2 ) 3.00 1.10 0.50 ! 3
assign (resid 564 and name   ha )(resid 564 and name  hb1 ) 3.00 1.10 0.50 ! 3
assign (resid 564 and name   ha )(resid 564 and name  hb2 ) 3.60 1.70 0.80 ! 2
assign (resid 564 and name   hn )(resid 564 and name  hb2 ) 3.60 1.70 0.80 ! 2
assign (resid 585 and name   ha )(resid 585 and name  hb1 ) 2.40 0.50 0.30 ! 5
assign (resid 585 and name   ha )(resid 585 and name  hb2 ) 2.40 0.50 0.30 ! 5
assign (resid 585 and name   hn )(resid 585 and name  hb1 ) 3.60 1.70 0.80 !ol 2
assign (resid 585 and name   hn )(resid 585 and name  hb2 ) 2.60 0.70 0.40 ! 4
assign (resid 517 and name hg1# )(resid 609 and name   hn ) 3.60 1.70 0.80 !ol 2
assign (resid 517 and name hg2# )(resid 609 and name   hn ) 3.00 1.10 0.50 !ol 3
assign (resid 562 and name  hd# )(resid 563 and name  hd1 ) 3.00 1.10 0.50 !u5,d3 3
assign (resid 523 and name  hb# )(resid 563 and name  hd1 ) 2.40 0.50 0.30 ! 5
assign (resid 523 and name  hb# )(resid 615 and name  hd1 ) 2.40 0.50 0.30 ! 5
assign (resid 562 and name   ha )(resid 563 and name  hd1 ) 5.00 3.10 0.80 ! 1
assign (resid 522 and name   ha )(resid 563 and name  hd1 ) 3.00 1.10 0.50 ! 3
assign (resid 526 and name   ha )(resid 559 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 530 and name   ha )(resid 563 and name  he3 ) 3.00 1.10 0.50 ! 3
assign (resid 530 and name   ha )(resid 563 and name  hz3 ) 5.00 3.10 0.80 !ol 1
assign (resid 530 and name   ha )(resid 563 and name  hh2 ) 5.00 3.10 0.80 !ol 1
assign (resid 530 and name   ha )(resid 563 and name  hz2 ) 5.00 3.10 0.80 !ol 1
assign (resid 579 and name  he# )(resid 580 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 579 and name  hd# )(resid 580 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 579 and name   hz )(resid 580 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 580 and name   ha )(resid 590 and name  hd1 ) 5.00 3.10 0.80 ! 1
assign (resid 531 and name   hn )(resid 563 and name  hz3 ) 2.60 0.70 0.40 ! 4
assign (resid 531 and name   hn )(resid 563 and name  hh2 ) 3.60 1.70 0.80 ! 2
assign (resid 531 and name   hn )(resid 563 and name  hz2 ) 5.00 3.10 0.80 ! 1
assign (resid 615 and name  hd1 )(resid 616 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 531 and name  hd# )(resid 615 and name  he3 ) 3.00 1.10 0.50 !615_ambig_assn 3
assign (resid 531 and name  hd# )(resid 579 and name  hd# ) 5.00 3.10 0.80 !ol 1
assign (resid 531 and name  hd# )(resid 615 and name  hh2 ) 5.00 3.10 0.80 !ol 1
assign (resid 531 and name  hd# )(resid 563 and name  hh2 ) 5.00 3.10 0.80 !ol 1
assign (resid 531 and name  hd# )(resid 563 and name  hz2 ) 5.00 3.10 0.80 !ol 1
assign (resid 582 and name  hd# )(resid 588 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 515 and name hg1# )(resid 608 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 544 and name  hb1 )(resid 547 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 544 and name  hb2 )(resid 547 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 544 and name  hg# )(resid 547 and name   hn ) 3.00 1.10 0.50 !ol 3
assign (resid 522 and name   hn )(resid 614 and name hg2# ) 3.00 1.10 0.50 ! 3
assign (resid 521 and name  hd# )(resid 615 and name  hh2 ) 2.40 0.50 0.30 !u 5
assign (resid 521 and name  hd# )(resid 615 and name  he3 ) 3.00 1.10 0.50 !u,615_ambig 3
assign (resid 533 and name  hd# )(resid 577 and name  hd# ) 3.00 1.10 0.50 !d_ol 3
assign (resid 533 and name  hd# )(resid 577 and name  hd# ) 3.60 1.70 0.80 !u 2
assign (resid 562 and name  hd# )(resid 564 and name  hd# ) 2.60 0.70 0.40 !u&d_5_ol 4
assign (resid 562 and name  hd# )(resid 564 and name  he# ) 5.00 3.10 0.80 !u3,d_ol_1 1
assign (resid 553 and name  hb# )(resid 560 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 534 and name   ha )(resid 540 and name  hd# ) 3.60 1.70 0.80 !u&d 2
assign (resid 521 and name  hd# )(resid 522 and name   ha ) 5.00 3.10 0.80 !d 1
assign (resid 531 and name   ha )(resid 580 and name hg1# ) 3.60 1.70 0.80 ! 2
assign (resid 552 and name  hb1 )(resid 560 and name   ha ) 3.60 1.70 0.80 ! 2
assign (resid 515 and name hg1# )(resid 608 and name   ha ) 2.40 0.50 0.30 ! 5
assign (resid 515 and name hg2# )(resid 608 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 534 and name   ha )(resid 540 and name  hb# ) 5.00 3.10 0.80 !d1,u_ol_1 1
assign (resid 520 and name  hb1 )(resid 612 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 520 and name  hb2 )(resid 612 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 613 and name   ha )(resid 614 and name hg2# ) 3.00 1.10 0.50 !poss_562g_BCD 3
assign (resid 579 and name   ha )(resid 580 and name hg1# ) 3.00 1.10 0.50 ! 3
assign (resid 521 and name  hd# )(resid 615 and name   ha ) 3.00 1.10 0.50 !d 3
assign (resid 534 and name hg1# )(resid 543 and name   ha ) 3.00 1.10 0.50 ! 3
assign (resid 534 and name hg2# )(resid 543 and name   ha ) 3.60 1.70 0.80 !ol 2
assign (resid 518 and name   ha )(resid 519 and name  hd# ) 2.60 0.70 0.40 ! 4
assign (resid 563 and name   ha )(resid 564 and name  hd# ) 3.60 1.70 0.80 ! 2
assign (resid 543 and name  hh2 )(resid 576 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 543 and name  hh2 )(resid 577 and name   ha ) 5.00 3.10 0.80 !poss_ol 1
assign (resid 543 and name  hz2 )(resid 576 and name   ha ) 3.60 1.70 0.80 ! 2
assign (resid 543 and name  hz2 )(resid 577 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 574 and name   ha )(resid 577 and name  hd# ) 5.00 3.10 0.80 ! 1
assign (resid 537 and name   ha )(resid 541 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 555 and name  he# )(resid 564 and name  hd# ) 2.60 0.70 0.40 ! 4
assign (resid 555 and name  he# )(resid 564 and name  he# ) 2.40 0.50 0.30 ! 5
assign (resid 555 and name  hg# )(resid 564 and name  hd# ) 3.60 1.70 0.80 ! 2
assign (resid 555 and name  hg# )(resid 564 and name  he# ) 3.00 1.10 0.50 ! 3
assign (resid 555 and name  hb# )(resid 564 and name  hd# ) 5.00 3.10 0.80 !ol 1
assign (resid 555 and name  hb# )(resid 564 and name  he# ) 5.00 3.10 0.80 !ol 1
assign (resid 516 and name   hn )(resid 517 and name hg2# ) 3.60 1.70 0.80 ! 2
assign (resid 516 and name   hn )(resid 608 and name hg2# ) 3.60 1.70 0.80 ! 2
assign (resid 551 and name  hd# )(resid 564 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 534 and name   ha )(resid 543 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 531 and name   hn )(resid 563 and name  hh2 ) 3.60 1.70 0.80 ! 2
assign (resid 531 and name   hn )(resid 563 and name  hz2 ) 5.00 3.10 0.80 ! 1
assign (resid 531 and name   hn )(resid 563 and name  hz3 ) 2.60 0.70 0.40 ! 4
assign (resid 521 and name  hd# )(resid 615 and name  hd1 ) 5.00 3.10 0.80 !d2,u1 1
assign (resid 552 and name   hn )(resid 566 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 549 and name hg2# )(resid 550 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 611 and name   hb )(resid 612 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 525 and name   hn )(resid 563 and name  he1 ) 5.00 3.10 0.80 ! 1
assign (resid 524 and name   ha )(resid 563 and name  he1 ) 3.00 1.10 0.50 ! 3
assign (resid 563 and name  hb# )(resid 563 and name  he1 ) 5.00 3.10 0.80 !d_only 1
assign (resid 524 and name hg2# )(resid 563 and name  he1 ) 2.40 0.50 0.30 ! 5
assign (resid 556 and name  hd# )(resid 563 and name  he1 ) 5.00 3.10 0.80 ! 1
assign (resid 556 and name  he# )(resid 563 and name  he1 ) 5.00 3.10 0.80 ! 1
assign (resid 563 and name   hn )(resid 563 and name  hz2 ) 5.00 3.10 0.80 ! 1
assign (resid 531 and name hg2# )(resid 579 and name  hd# ) 5.00 3.10 0.80 !ol 1
assign (resid 532 and name  hd# )(resid 549 and name  hd# ) 5.00 3.10 0.80 !ol 1
assign (resid 532 and name  hd# )(resid 549 and name hg2# ) 5.00 3.10 0.80 !ol 1
assign (resid 532 and name  hd# )(resid 580 and name hg1# ) 5.00 3.10 0.80 !ol 1
assign (resid 532 and name  hd# )(resid 580 and name hg2# ) 5.00 3.10 0.80 !ol 1
assign (resid 532 and name  hd# )(resid 582 and name hg2# ) 5.00 3.10 0.80 !ol 1
assign (resid 532 and name   ha )(resid 551 and name  hd# ) 3.00 1.10 0.50 !d_only 3
assign (resid 535 and name  ha# )(resid 543 and name  hz3 ) 5.00 3.10 0.80 ! 1
assign (resid 537 and name hg1# )(resid 575 and name  hd# ) 2.40 0.50 0.30 !d_only 5
assign (resid 537 and name hg2# )(resid 575 and name  hd# ) 2.40 0.50 0.30 ! 5
assign (resid 537 and name  hd# )(resid 575 and name  hd# ) 2.40 0.50 0.30 ! 5
assign (resid 543 and name  hh2 )(resid 576 and name  hb# ) 5.00 3.10 0.80 !ol 1
assign (resid 555 and name  hd# )(resid 564 and name  hd# ) 5.00 3.10 0.80 !d&u,ol 1
assign (resid 555 and name  hd# )(resid 564 and name  he# ) 5.00 3.10 0.80 !d&u,ol 1
assign (resid 543 and name   ha )(resid 590 and name  hz3 ) 5.00 3.10 0.80 ! 1
assign (resid 543 and name  hb# )(resid 590 and name  hz3 ) 5.00 3.10 0.80 ! 1
assign (resid 543 and name   ha )(resid 590 and name  hh2 ) 3.60 1.70 0.80 ! 2
assign (resid 543 and name  hb# )(resid 590 and name  hh2 ) 3.00 1.10 0.50 ! 3
assign (resid 514 and name  hb# )(resid 568 and name hg2# ) 2.40 0.50 0.30 ! 5
assign (resid 515 and name   ha )(resid 600 and name hg1# ) 3.60 1.70 0.80 !poss_ol 2
assign (resid 515 and name   ha )(resid 600 and name hg2# ) 3.60 1.70 0.80 !poss_ol 2
assign (resid 515 and name   hb )(resid 600 and name hg1# ) 2.60 0.70 0.40 ! 4
assign (resid 515 and name hg1# )(resid 598 and name  he# ) 3.00 1.10 0.50 ! 3
assign (resid 515 and name hg1# )(resid 600 and name hg1# ) 2.60 0.70 0.40 !ol 4
assign (resid 515 and name hg1# )(resid 600 and name hg2# ) 2.40 0.50 0.30 ! 5
assign (resid 515 and name hg1# )(resid 569 and name  hb# ) 2.60 0.70 0.40 ! 4
assign (resid 515 and name hg1# )(resid 609 and name   hn ) 2.60 0.70 0.40 !ol 4
assign (resid 516 and name  hb# )(resid 566 and name hg2# ) 2.60 0.70 0.40 !ol 4
assign (resid 516 and name  hb# )(resid 568 and name hg2# ) 3.60 1.70 0.80 !ol 2
assign (resid 517 and name   hn )(resid 569 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 537 and name  hd# )(resid 569 and name  hd# ) 5.00 3.10 0.80 !u4,d1,ol 1
assign (resid 545 and name hg2# )(resid 590 and name  hd1 ) 3.00 1.10 0.50 !ambig_red_by_2 3
assign (resid 545 and name hg2# )(resid 590 and name  hz2 ) 2.60 0.70 0.40 !ambig,ol 4
assign (resid 575 and name   ha )(resid 575 and name  hd# ) 5.00 3.10 0.80 !ol 1
assign (resid 575 and name  hb# )(resid 575 and name  hd# ) 5.00 3.10 0.80 !ol 1
assign (resid 598 and name   hn )(resid 598 and name  hd# ) 3.00 1.10 0.50 ! 3
assign (resid 575 and name   ha )(resid 577 and name  hd# ) 5.00 3.10 0.80 !ol 1
assign (resid 575 and name  hb# )(resid 577 and name  hd# ) 5.00 3.10 0.80 !ol 1
assign (resid 548 and name   hn )(resid 549 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 548 and name   hn )(resid 549 and name hg1# ) 5.00 3.10 0.80 ! 1
assign (resid 533 and name   hn )(resid 549 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 524 and name   hn )(resid 531 and name  hd# ) 5.00 3.10 0.80 ! 1
assign (resid 591 and name   ha )(resid 615 and name  hz2 ) 3.60 1.70 0.80 !poss_ambig 2
assign (resid 591 and name  hb# )(resid 615 and name  hz2 ) 3.60 1.70 0.80 !d 2
assign (resid 589 and name  hb# )(resid 615 and name  hz2 ) 3.60 1.70 0.80 !u2,d4 2
assign (resid 589 and name  hg# )(resid 615 and name  hz2 ) 3.00 1.10 0.50 ! 3
assign (resid 540 and name  hd# )(resid 549 and name  hd# ) 2.60 0.70 0.40 !u_d_ol 4
assign (resid 540 and name  hd# )(resid 549 and name hg2# ) 2.60 0.70 0.40 !u_d_ol 4
assign (resid 563 and name  hd1 )(resid 563 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 535 and name   hn )(resid 540 and name  hd# ) 5.00 3.10 0.80 !u&d,ol 1
assign (resid 535 and name   hn )(resid 540 and name   hg ) 5.00 3.10 0.80 !ol 1
assign (resid 535 and name   hn )(resid 540 and name  hb# ) 5.00 3.10 0.80 !u&d,ol 1
assign (resid 583 and name   ha )(resid 585 and name   hn ) 5.00 3.10 0.80 !wk_split 1
assign (resid 583 and name  hb# )(resid 585 and name   hn ) 5.00 3.10 0.80 !d_u? 1
assign (resid 583 and name  hg# )(resid 585 and name   hn ) 3.60 1.70 0.80 !d_u? 2
assign (resid 583 and name   hn )(resid 585 and name   hn ) 5.00 3.10 0.80 !wk_poss? 1
assign (resid 584 and name   hn )(resid 587 and name   hn ) 5.00 3.10 0.80 !poss_v.wk 1
assign (resid 584 and name   hn )(resid 586 and name   hn ) 5.00 3.10 0.80 !poss_v.wk 1
assign (resid 519 and name   hn )(resid 567 and name   hn ) 5.00 3.10 0.80 !wk 1
assign (resid 544 and name   hn )(resid 547 and name  hb# ) 5.00 3.10 0.80 !u1,d2_ol 1
assign (resid 537 and name   ha )(resid 538 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 537 and name   ha )(resid 540 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 533 and name   hn )(resid 549 and name   hb ) 3.60 1.70 0.80 ! 2
assign (resid 530 and name   hn )(resid 582 and name  hd# ) 3.00 1.10 0.50 ! 3
assign (resid 521 and name  hd# )(resid 616 and name   hn ) 5.00 3.10 0.80 !d_only 1
assign (resid 556 and name  hd# )(resid 560 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 555 and name  hb# )(resid 562 and name  hd# ) 5.00 3.10 0.80 !all_ol 1
assign (resid 555 and name  hg# )(resid 562 and name  hd# ) 5.00 3.10 0.80 !delta_u_only 1
assign (resid 555 and name  hd# )(resid 562 and name  hd# ) 5.00 3.10 0.80 !all_ol 1
assign (resid 556 and name  hd# )(resid 561 and name  hd# ) 2.60 0.70 0.40 ! 4
assign (resid 556 and name  hd# )(resid 561 and name  hg# ) 5.00 3.10 0.80 ! 1
assign (resid 561 and name  hd# )(resid 563 and name  hd1 ) 5.00 3.10 0.80 !ol 1
assign (resid 598 and name  hd# )(resid 600 and name  hg# ) 5.00 3.10 0.80 !ol_gamma_d_only 1
assign (resid 598 and name  he# )(resid 600 and name  hg# ) 5.00 3.10 0.80 !ol_gamma_d_only 1
assign (resid 561 and name  hd# )(resid 562 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 561 and name  hg# )(resid 562 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 598 and name  hd# )(resid 609 and name  hb# ) 5.00 3.10 0.80 !ol 1
assign (resid 598 and name  he# )(resid 609 and name  hb# ) 5.00 3.10 0.80 !ol 1
assign (resid 585 and name   hn )(resid 587 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 524 and name hg2# )(resid 561 and name  hg# ) 5.00 3.10 0.80 !ol 1
assign (resid 524 and name hg2# )(resid 561 and name  hb# ) 5.00 3.10 0.80 !both 1
assign (resid 524 and name   ha )(resid 561 and name  hg# ) 5.00 3.10 0.80 !wk 1
assign (resid 524 and name   ha )(resid 561 and name  hb# ) 5.00 3.10 0.80 !d_only 1
assign (resid 525 and name   hn )(resid 562 and name  hd# ) 5.00 3.10 0.80 !poss_ol_u3,d? 1
assign (resid 561 and name  hb# )(resid 563 and name  he1 ) 3.60 1.70 0.80 !d_only 2
assign (resid 561 and name  hg# )(resid 563 and name  he1 ) 5.00 3.10 0.80 ! 1
assign (resid 525 and name   hn )(resid 561 and name  hb# ) 5.00 3.10 0.80 !d_only 1
assign (resid 525 and name   hn )(resid 561 and name  hg# ) 5.00 3.10 0.80 ! 1
assign (resid 591 and name  hb# )(resid 594 and name  hd# ) 5.00 3.10 0.80 !hb_d_only,ol 1
assign (resid 560 and name   hn )(resid 561 and name  hd# ) 5.00 3.10 0.80 !ol 1
assign (resid 553 and name  hb# )(resid 556 and name  hd# ) 3.00 1.10 0.50 !ambig 3
assign (resid 556 and name  hd# )(resid 562 and name  hd# ) 3.00 1.10 0.50 !562_u,ambig 3
assign (resid 537 and name hg2# )(resid 540 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 537 and name  hd# )(resid 540 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 541 and name   hn )(resid 547 and name  hb# ) 5.00 3.10 0.80 !d3_u_ol_1 1
assign (resid 583 and name   hn )(resid 588 and name  hg# ) 5.00 3.10 0.80 !both_ol 1 
assign (resid 523 and name   hn )(resid 561 and name  hb# ) 5.00 3.10 0.80 !both 1
assign (resid 525 and name   hn )(resid 556 and name  hd# ) 5.00 3.10 0.80 ! 1
assign (resid 538 and name   ha )(resid 542 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 600 and name hg2# )(resid 607 and name   ha ) 5.00 3.10 0.80 !back 1
assign (resid 591 and name  hb# )(resid 615 and name  hh2 ) 5.00 3.10 0.80 !d_only,back 1
assign (resid 591 and name  hb# )(resid 615 and name  hd1 ) 5.00 3.10 0.80 !d_only,back 1
assign (resid 572 and name  ha# )(resid 601 and name  ha# ) 5.00 3.10 0.80 !only_572(d),back 1
assign (resid 509 and name  hb# )(resid 510 and name   hn ) 5.00 3.10 0.80 !back 1
assign (resid 509 and name  hb# )(resid 511 and name   hn ) 5.00 3.10 0.80 !back 1
assign (resid 515 and name   hn )(resid 570 and name   ha ) 5.00 3.10 0.80 !back 1
assign (resid 539 and name he2# )(resid 567 and name  hg# ) 5.00 3.10 0.80 !u_back 1 
assign (resid 594 and name  hd# )(resid 616 and name   hn ) 5.00 3.10 0.80 !u_back 1
assign (resid 594 and name  hg# )(resid 616 and name   hn ) 5.00 3.10 0.80 !both_back 1
assign (resid 527 and name  hd# )(resid 561 and name  hg# ) 5.00 3.10 0.80 !back 1
assign (resid 527 and name  he# )(resid 561 and name  hg# ) 5.00 3.10 0.80 !back 1
assign (resid 527 and name   hn )(resid 584 and name  hb# ) 5.00 3.10 0.80 !u_back 1
assign (resid 514 and name   hn )(resid 570 and name  hb# ) 5.00 3.10 0.80 !back 1
assign (resid 583 and name   hn )(resid 587 and name  hb# ) 5.00 3.10 0.80 !back 1
assign (resid 526 and name hg2# )(resid 586 and name   hn ) 5.00 3.10 0.80 !back 1
assign (resid 529 and name   ha )(resid 583 and name  hb# ) 5.00 3.10 0.80 !back 1
!x_strand.tbl for SBD/bCD complex
!
!set message=off echo=off end
!
!checked 09/05/96
!
!strand 1 & 4
assign (resid 514 and name   ha )(resid 571 and name   hn ) 3.60 1.70 0.80 !2sets 2
assign (resid 516 and name   ha )(resid 569 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 516 and name   ha )(resid 568 and name   ha ) 5.00 3.10 0.80 !v.wk 1
assign (resid 517 and name   hn )(resid 568 and name   ha ) 3.60 1.70 0.80 ! 2
assign (resid 517 and name   hn )(resid 567 and name   hn ) 5.00 3.10 0.80 !320K 1
assign (resid 518 and name   ha )(resid 567 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 518 and name   ha )(resid 566 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 519 and name   hn )(resid 566 and name   ha ) 3.60 1.70 0.80 ! 2
assign (resid 519 and name   hn )(resid 565 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 520 and name   ha )(resid 565 and name   hn ) 5.00 3.10 0.80 !wk 1
assign (resid 520 and name   ha )(resid 564 and name   ha ) 3.60 1.70 0.80 ! 2
assign (resid 521 and name   hn )(resid 564 and name   ha ) 3.60 1.70 0.80 ! 2
assign (resid 521 and name   hn )(resid 563 and name   hn ) 5.00 3.10 0.80 !diag 1
assign (resid 522 and name   ha )(resid 563 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 523 and name   hn )(resid 563 and name   hn ) 5.00 3.10 0.80 ! 1
!strand 1 & 8
assign (resid 516 and name   hn )(resid 608 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 517 and name   ha )(resid 609 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 517 and name   ha )(resid 610 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 518 and name   hn )(resid 609 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 518 and name   hn )(resid 610 and name   ha ) 3.60 1.70 0.80 ! 2
assign (resid 518 and name   hn )(resid 611 and name   hn ) 5.00 3.10 0.80 !320K 1
assign (resid 519 and name   ha )(resid 611 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 520 and name   hn )(resid 611 and name   hn ) 5.00 3.10 0.80 !diag,320K 1
assign (resid 520 and name   hn )(resid 612 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 520 and name   hn )(resid 613 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 521 and name   ha )(resid 613 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 521 and name   ha )(resid 614 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 522 and name   hn )(resid 614 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 522 and name   hn )(resid 615 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 523 and name   ha )(resid 615 and name   hn ) 5.00 3.10 0.80 !ol 1
!strand 2 & 3
assign (resid 531 and name   hn )(resid 551 and name   hn ) 5.00 3.10 0.80 !ol_with_below 1
assign (resid 532 and name   ha )(resid 551 and name   hn ) 5.00 3.10 0.80 !ol_with_above 1
assign (resid 532 and name   ha )(resid 550 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 533 and name   hn )(resid 551 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 533 and name   hn )(resid 550 and name   ha ) 3.60 1.70 0.80 ! 2
assign (resid 533 and name   hn )(resid 549 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 534 and name   ha )(resid 549 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 534 and name   ha )(resid 548 and name  ha# ) 3.60 1.70 0.80 !d_only 2 
!strand 2 & 5
assign (resid 530 and name   hn )(resid 583 and name   ha ) 5.00 3.10 0.80 !wk 1
assign (resid 530 and name   hn )(resid 582 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 531 and name   ha )(resid 582 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 531 and name   ha )(resid 581 and name   ha ) 5.00 3.10 0.80 !320K 1
assign (resid 532 and name   hn )(resid 581 and name   ha ) 5.00 3.10 0.80 !wk 1
assign (resid 532 and name   hn )(resid 580 and name   hn ) 5.00 3.10 0.80 !same_hn 1
assign (resid 533 and name   ha )(resid 580 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 533 and name   ha )(resid 579 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 534 and name   hn )(resid 579 and name   ha ) 5.00 3.10 0.80 ! 1
assign (resid 534 and name   hn )(resid 578 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 535 and name  ha# )(resid 578 and name   hn ) 5.00 3.10 0.80 !both 1
assign (resid 535 and name  ha# )(resid 577 and name   ha ) 5.00 3.10 0.80 !both 1
assign (resid 536 and name   hn )(resid 577 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 536 and name   hn )(resid 576 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 537 and name   ha )(resid 576 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 537 and name   ha )(resid 575 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 538 and name   hn )(resid 575 and name   ha ) 5.00 3.10 0.80 !ol 1
!strand 3 & 4
assign (resid 552 and name   hn )(resid 564 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 552 and name   hn )(resid 565 and name   ha ) 3.60 1.70 0.80 !ol 2
!strand 5 & 6
assign (resid 582 and name   ha )(resid 589 and name   hn ) 3.60 1.70 0.80 !ol 2
assign (resid 581 and name   hn )(resid 589 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 581 and name   hn )(resid 590 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 580 and name   ha )(resid 590 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 580 and name   ha )(resid 591 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 579 and name   hn )(resid 591 and name   hn ) 5.00 3.10 0.80 !320K 1
!strand 5 & 7
assign (resid 577 and name   hn )(resid 596 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 577 and name   hn )(resid 597 and name   ha ) 5.00 3.10 0.80 !same_ha 1
assign (resid 576 and name   ha )(resid 597 and name   ha ) 3.60 1.70 0.80 !ol 2
assign (resid 576 and name   ha )(resid 598 and name   hn ) 3.60 1.70 0.80 ! 2
assign (resid 575 and name   hn )(resid 597 and name   ha ) 3.60 1.70 0.80 ! 2
assign (resid 575 and name   hn )(resid 598 and name   hn ) 5.00 3.10 0.80 ! 1
assign (resid 575 and name   hn )(resid 599 and name   ha ) 5.00 3.10 0.80 !ol 1
assign (resid 574 and name   ha )(resid 599 and name   ha ) 3.00 1.10 0.50 ! 3
assign (resid 574 and name   ha )(resid 600 and name   hn ) 5.00 3.10 0.80 !ol 1
assign (resid 573 and name   hn )(resid 600 and name   hn ) 5.00 3.10 0.80 !ol 1
!
!set message=on echo=on end
!
!h_bond.tbl for SBD/bCD complex
!
!set message=off echo=off end
!
!checked 09/05/96
!deduced from NH exchange and x_strand NOEs
!"nif" = constraint not in free SBD
!
!strands 1 & 4
assign (resid  513 and name O    )(resid  571 and name N    )   3.3 0.8 0.2
assign (resid  513 and name O    )(resid  571 and name HN   )   2.3 0.5 0.2
assign (resid  515 and name N    )(resid  569 and name O    )   3.3 0.8 0.2
assign (resid  515 and name HN   )(resid  569 and name O    )   2.3 0.5 0.2
assign (resid  515 and name O    )(resid  569 and name N    )   3.3 0.8 0.2
assign (resid  515 and name O    )(resid  569 and name HN   )   2.3 0.5 0.2
assign (resid  517 and name N    )(resid  567 and name O    )   3.3 0.8 0.2
assign (resid  517 and name HN   )(resid  567 and name O    )   2.3 0.5 0.2
assign (resid  517 and name O    )(resid  567 and name N    )   3.3 0.8 0.2
assign (resid  517 and name O    )(resid  567 and name HN   )   2.3 0.5 0.2
assign (resid  519 and name N    )(resid  565 and name O    )   3.3 0.8 0.2
assign (resid  519 and name HN   )(resid  565 and name O    )   2.3 0.5 0.2
assign (resid  519 and name O    )(resid  565 and name N    )   3.3 0.8 0.2
assign (resid  519 and name O    )(resid  565 and name HN   )   2.3 0.5 0.2
assign (resid  521 and name N    )(resid  563 and name O    )   3.3 0.8 0.2
assign (resid  521 and name HN   )(resid  563 and name O    )   2.3 0.5 0.2
!assign (resid  521 and name O    )(resid  563 and name N    )   3.3 0.8 0.2 !see next
!assign (resid  521 and name O    )(resid  563 and name HN   )   2.3 0.5 0.2 !2 lines
assign (resid  560 and name O    )(resid  563 and name N    )   3.3 0.8 0.2 !These 2 lines now
assign (resid  560 and name O    )(resid  563 and name HN   )   2.3 0.5 0.2 !replace above 2.
assign (resid  523 and name N    )(resid  561 and name O    )   3.3 0.8 0.2
assign (resid  523 and name HN   )(resid  561 and name O    )   2.3 0.5 0.2
!strands 1 & 8
assign (resid  516 and name N    )(resid  607 and name O    )   3.3 0.8 0.2
assign (resid  516 and name HN   )(resid  607 and name O    )   2.3 0.5 0.2
assign (resid  516 and name O    )(resid  609 and name N    )   3.3 0.8 0.2
assign (resid  516 and name O    )(resid  609 and name HN   )   2.3 0.5 0.2
assign (resid  518 and name N    )(resid  609 and name O    )   3.3 0.8 0.2
assign (resid  518 and name HN   )(resid  609 and name O    )   2.3 0.5 0.2
assign (resid  518 and name O    )(resid  611 and name N    )   3.3 0.8 0.2
assign (resid  518 and name O    )(resid  611 and name HN   )   2.3 0.5 0.2
assign (resid  520 and name N    )(resid  611 and name O    )   3.3 0.8 0.2
assign (resid  520 and name HN   )(resid  611 and name O    )   2.3 0.5 0.2
assign (resid  520 and name O    )(resid  613 and name N    )   3.3 0.8 0.2
assign (resid  520 and name O    )(resid  613 and name HN   )   2.3 0.5 0.2
assign (resid  522 and name N    )(resid  613 and name O    )   3.3 0.8 0.2
assign (resid  522 and name HN   )(resid  613 and name O    )   2.3 0.5 0.2
assign (resid  522 and name O    )(resid  615 and name N    )   3.3 0.8 0.2
assign (resid  522 and name O    )(resid  615 and name HN   )   2.3 0.5 0.2
!strands 2 & 3
assign (resid  531 and name O    )(resid  551 and name N    )   3.3 0.8 0.2
assign (resid  531 and name O    )(resid  551 and name HN   )   2.3 0.5 0.2
assign (resid  533 and name N    )(resid  549 and name O    )   3.3 0.8 0.2
assign (resid  533 and name HN   )(resid  549 and name O    )   2.3 0.5 0.2
assign (resid  533 and name O    )(resid  549 and name N    )   3.3 0.8 0.2
assign (resid  533 and name O    )(resid  549 and name HN   )   2.3 0.5 0.2
!strands 2 & 5
assign (resid  530 and name N    )(resid  582 and name O    )   3.3 0.8 0.2
assign (resid  530 and name HN   )(resid  582 and name O    )   2.3 0.5 0.2
assign (resid  530 and name O    )(resid  582 and name N    )   3.3 0.8 0.2
assign (resid  530 and name O    )(resid  582 and name HN   )   2.3 0.5 0.2
assign (resid  532 and name N    )(resid  580 and name O    )   3.3 0.8 0.2
assign (resid  532 and name HN   )(resid  580 and name O    )   2.3 0.5 0.2
assign (resid  532 and name O    )(resid  580 and name N    )   3.3 0.8 0.2
assign (resid  532 and name O    )(resid  580 and name HN   )   2.3 0.5 0.2
assign (resid  534 and name N    )(resid  578 and name O    )   3.3 0.8 0.2
assign (resid  534 and name HN   )(resid  578 and name O    )   2.3 0.5 0.2
assign (resid  534 and name O    )(resid  578 and name N    )   3.3 0.8 0.2
assign (resid  534 and name O    )(resid  578 and name HN   )   2.3 0.5 0.2
assign (resid  536 and name N    )(resid  576 and name O    )   3.3 0.8 0.2
assign (resid  536 and name HN   )(resid  576 and name O    )   2.3 0.5 0.2
assign (resid  536 and name O    )(resid  576 and name N    )   3.3 0.8 0.2 !nif
assign (resid  536 and name O    )(resid  576 and name HN   )   2.3 0.5 0.2 !nif
!strands 3 & 4
assign (resid  552 and name N    )(resid  564 and name O    )   3.3 0.8 0.2
assign (resid  552 and name HN   )(resid  564 and name O    )   2.3 0.5 0.2
assign (resid  552 and name O    )(resid  564 and name N    )   3.3 0.8 0.2 !nif
assign (resid  552 and name O    )(resid  564 and name HN   )   2.3 0.5 0.2 !nif
!strands 5 & 6
assign (resid  579 and name N    )(resid  591 and name O    )   3.3 0.8 0.2 !nif
assign (resid  579 and name HN   )(resid  591 and name O    )   2.3 0.5 0.2 !nif
assign (resid  579 and name O    )(resid  591 and name N    )   3.3 0.8 0.2
assign (resid  579 and name O    )(resid  591 and name HN   )   2.3 0.5 0.2
assign (resid  581 and name N    )(resid  589 and name O    )   3.3 0.8 0.2
assign (resid  581 and name HN   )(resid  589 and name O    )   2.3 0.5 0.2
assign (resid  581 and name O    )(resid  589 and name N    )   3.3 0.8 0.2
assign (resid  581 and name O    )(resid  589 and name HN   )   2.3 0.5 0.2
!strands 5 & 7
assign (resid  573 and name N    )(resid  600 and name O    )   3.3 0.8 0.2
assign (resid  573 and name HN   )(resid  600 and name O    )   2.3 0.5 0.2
assign (resid  573 and name O    )(resid  600 and name N    )   3.3 0.8 0.2
assign (resid  573 and name O    )(resid  600 and name HN   )   2.3 0.5 0.2
assign (resid  575 and name N    )(resid  598 and name O    )   3.3 0.8 0.2
assign (resid  575 and name HN   )(resid  598 and name O    )   2.3 0.5 0.2
assign (resid  575 and name O    )(resid  598 and name N    )   3.3 0.8 0.2
assign (resid  575 and name O    )(resid  598 and name HN   )   2.3 0.5 0.2
assign (resid  577 and name N    )(resid  596 and name O    )   3.3 0.8 0.2
assign (resid  577 and name HN   )(resid  596 and name O    )   2.3 0.5 0.2
assign (resid  577 and name O    )(resid  596 and name N    )   3.3 0.8 0.2
assign (resid  577 and name O    )(resid  596 and name HN   )   2.3 0.5 0.2
!
!others identified after calculation
assign (resid  531 and name N    )(resid  551 and name O    )   3.3 0.8 0.2
assign (resid  531 and name HN   )(resid  551 and name O    )   2.3 0.5 0.2
!
assign (resid  537 and name N    )(resid  540 and name O    )   3.3 0.8 0.2
assign (resid  537 and name HN   )(resid  540 and name O    )   2.3 0.5 0.2
assign (resid  537 and name O    )(resid  540 and name N    )   3.3 0.8 0.2
assign (resid  537 and name O    )(resid  540 and name HN   )   2.3 0.5 0.2
assign (resid  541 and name N    )(resid  547 and name O    )   3.3 0.8 0.2
assign (resid  541 and name HN   )(resid  547 and name O    )   2.3 0.5 0.2
!
assign (resid  583 and name N    )(resid  587 and name O    )   3.3 0.8 0.2
assign (resid  583 and name HN   )(resid  587 and name O    )   2.3 0.5 0.2
!
!set message=on echo=on end
!
!multi.tbl
!for SBD/bCD complex
!for ambiguous NOEs
!
assign  (resid 519 and name  hd#)
       ((resid 537 and name  hd#) or (resid 540 and name  hd#)) 5.00 3.10 0.80 !540_d 1
assign  (resid 519 and name  he#)
       ((resid 537 and name  hd#) or (resid 540 and name  hd#)) 5.00 3.10 0.80 !540_d,ol 1
assign  (resid 519 and name   hz)
       ((resid 537 and name  hd#) or (resid 540 and name  hd#)) 5.00 3.10 0.80 !540_d,ol 1
assign  (resid 531 and name  hd#)
       ((resid 531 and name   ha) or (resid 524 and name   ha)) 5.00 3.10 0.80 ! 1
assign  (resid 531 and name  hd#)
       ((resid 581 and name   ha) or (resid 582 and name   ha)) 3.00 1.10 0.50 ! 3
assign  (resid 532 and name  hd#)
       ((resid 580 and name  hd#) or (resid 582 and name  hd#)) 2.60 0.70 0.40 !ol 4
assign  (resid 536 and name   hn)
       ((resid 537 and name  hd#) or (resid 540 and name  hd#)) 3.60 1.70 0.80 !540_d,ol 2
assign  (resid 564 and name  hd#)
       ((resid 551 and name   ha) or (resid 555 and name   ha)) 3.00 1.10 0.50 ! 3
assign  (resid 564 and name  he#)
       ((resid 551 and name   ha) or (resid 555 and name   ha)) 3.00 1.10 0.50 ! 3
assign  (resid 544 and name   hn)
       ((resid 534 and name   ha) or (resid 547 and name   ha)) 5.00 3.10 0.80 ! 1
assign  (resid 590 and name  hd1)
       ((resid 543 and name  hb#) or (resid 592 and name  hb#)) 5.00 3.10 0.80 !ol 1
assign  (resid 615 and name  hd1)
       ((resid 531 and name   ha) or (resid 614 and name   ha)) 5.00 3.10 0.80 !ol 1
assign  (resid 598 and name  he#)
       ((resid 515 and name   ha) or (resid 612 and name   hb)) 5.00 3.10 0.80 !ol 1
!inter1.tbl
!intermolecular NOEs between SBD and bCD
!BCD1 for site 1, BCD2 for site 2
!
!SITE 1-------------------------------------------
!
assign (resid 543 and name  hd1 )
       ((segid BCD1 and resid 1 and name H5) or
        (segid BCD1 and resid 2 and name H5) or
        (segid BCD1 and resid 3 and name H5) or
        (segid BCD1 and resid 4 and name H5) or
        (segid BCD1 and resid 5 and name H5) or
        (segid BCD1 and resid 6 and name H5) or
        (segid BCD1 and resid 7 and name H5) or
        (segid BCD1 and resid 1 and name H61) or
        (segid BCD1 and resid 2 and name H61) or
        (segid BCD1 and resid 3 and name H61) or
        (segid BCD1 and resid 4 and name H61) or
        (segid BCD1 and resid 5 and name H61) or
        (segid BCD1 and resid 6 and name H61) or
        (segid BCD1 and resid 7 and name H61) or
        (segid BCD1 and resid 1 and name H62) or
        (segid BCD1 and resid 2 and name H62) or
        (segid BCD1 and resid 3 and name H62) or
        (segid BCD1 and resid 4 and name H62) or
        (segid BCD1 and resid 5 and name H62) or
        (segid BCD1 and resid 6 and name H62) or
        (segid BCD1 and resid 7 and name H62))    2.40 0.50 0.30 ! 5
assign (resid 543 and name  hd1 )
       ((segid BCD1 and resid 1 and name H3) or
        (segid BCD1 and resid 2 and name H3) or
        (segid BCD1 and resid 3 and name H3) or
        (segid BCD1 and resid 4 and name H3) or
        (segid BCD1 and resid 5 and name H3) or
        (segid BCD1 and resid 6 and name H3) or
        (segid BCD1 and resid 7 and name H3))     2.40 0.50 0.30 ! 5
assign (resid 543 and name  he1 )
       ((segid BCD1 and resid 1 and name H5) or
        (segid BCD1 and resid 2 and name H5) or
        (segid BCD1 and resid 3 and name H5) or
        (segid BCD1 and resid 4 and name H5) or
        (segid BCD1 and resid 5 and name H5) or
        (segid BCD1 and resid 6 and name H5) or
        (segid BCD1 and resid 7 and name H5) or
        (segid BCD1 and resid 1 and name H61) or
        (segid BCD1 and resid 2 and name H61) or
        (segid BCD1 and resid 3 and name H61) or
        (segid BCD1 and resid 4 and name H61) or
        (segid BCD1 and resid 5 and name H61) or
        (segid BCD1 and resid 6 and name H61) or
        (segid BCD1 and resid 7 and name H61) or
        (segid BCD1 and resid 1 and name H62) or
        (segid BCD1 and resid 2 and name H62) or
        (segid BCD1 and resid 3 and name H62) or
        (segid BCD1 and resid 4 and name H62) or
        (segid BCD1 and resid 5 and name H62) or
        (segid BCD1 and resid 6 and name H62) or
        (segid BCD1 and resid 7 and name H62))    5.00 3.10 0.80 ! 1
assign (resid 543 and name  he1 )
       ((segid BCD1 and resid 1 and name H3) or
        (segid BCD1 and resid 2 and name H3) or
        (segid BCD1 and resid 3 and name H3) or
        (segid BCD1 and resid 4 and name H3) or
        (segid BCD1 and resid 5 and name H3) or
        (segid BCD1 and resid 6 and name H3) or
        (segid BCD1 and resid 7 and name H3))     5.00 3.10 0.80 ! 1
assign (resid 590 and name  he1 )
       ((segid BCD1 and resid 1 and name H5) or
        (segid BCD1 and resid 2 and name H5) or
        (segid BCD1 and resid 3 and name H5) or
        (segid BCD1 and resid 4 and name H5) or
        (segid BCD1 and resid 5 and name H5) or
        (segid BCD1 and resid 6 and name H5) or
        (segid BCD1 and resid 7 and name H5) or
        (segid BCD1 and resid 1 and name H61) or
        (segid BCD1 and resid 2 and name H61) or
        (segid BCD1 and resid 3 and name H61) or
        (segid BCD1 and resid 4 and name H61) or
        (segid BCD1 and resid 5 and name H61) or
        (segid BCD1 and resid 6 and name H61) or
        (segid BCD1 and resid 7 and name H61) or
        (segid BCD1 and resid 1 and name H62) or
        (segid BCD1 and resid 2 and name H62) or
        (segid BCD1 and resid 3 and name H62) or
        (segid BCD1 and resid 4 and name H62) or
        (segid BCD1 and resid 5 and name H62) or
        (segid BCD1 and resid 6 and name H62) or
        (segid BCD1 and resid 7 and name H62))    3.00 1.10 0.50 ! 3
assign (resid 590 and name  he1 ) (segid BCD1 and resid 1 and name H3) 3.60 1.70 0.80 ! 2
!      ((segid BCD1 and resid 1 and name H3) or
!       (segid BCD1 and resid 2 and name H3) or
!       (segid BCD1 and resid 3 and name H3) or
!       (segid BCD1 and resid 4 and name H3) or
!       (segid BCD1 and resid 5 and name H3) or
!       (segid BCD1 and resid 6 and name H3) or
!       (segid BCD1 and resid 7 and name H3))     3.60 1.70 0.80 ! 2
!
!SITE 2---------------------------------------------------------------
!
assign (resid 523 and name  hn  )
       ((segid BCD2 and resid 1 and name H2) or
        (segid BCD2 and resid 2 and name H2) or
        (segid BCD2 and resid 3 and name H2) or
        (segid BCD2 and resid 4 and name H2) or
        (segid BCD2 and resid 5 and name H2) or
        (segid BCD2 and resid 6 and name H2) or
        (segid BCD2 and resid 7 and name H2))     5.00 3.10 0.80 ! 1
assign (resid 523 and name  hn  )
       ((segid BCD2 and resid 1 and name H3) or
        (segid BCD2 and resid 2 and name H3) or
        (segid BCD2 and resid 3 and name H3) or
        (segid BCD2 and resid 4 and name H3) or
        (segid BCD2 and resid 5 and name H3) or
        (segid BCD2 and resid 6 and name H3) or
        (segid BCD2 and resid 7 and name H3))     5.00 3.10 0.80 ! 1
assign (resid 526 and name  hn  )
       ((segid BCD2 and resid 1 and name H5) or
        (segid BCD2 and resid 2 and name H5) or
        (segid BCD2 and resid 3 and name H5) or
        (segid BCD2 and resid 4 and name H5) or
        (segid BCD2 and resid 5 and name H5) or
        (segid BCD2 and resid 6 and name H5) or
        (segid BCD2 and resid 7 and name H5) or
        (segid BCD2 and resid 1 and name H61) or
        (segid BCD2 and resid 2 and name H61) or
        (segid BCD2 and resid 3 and name H61) or
        (segid BCD2 and resid 4 and name H61) or
        (segid BCD2 and resid 5 and name H61) or
        (segid BCD2 and resid 6 and name H61) or
        (segid BCD2 and resid 7 and name H61) or
        (segid BCD2 and resid 1 and name H62) or
        (segid BCD2 and resid 2 and name H62) or
        (segid BCD2 and resid 3 and name H62) or
        (segid BCD2 and resid 4 and name H62) or
        (segid BCD2 and resid 5 and name H62) or
        (segid BCD2 and resid 6 and name H62) or
        (segid BCD2 and resid 7 and name H62))    5.00 3.10 0.80 ! 1
assign (resid 527 and name  hn  )
       ((segid BCD2 and resid 1 and name H5) or
        (segid BCD2 and resid 2 and name H5) or
        (segid BCD2 and resid 3 and name H5) or
        (segid BCD2 and resid 4 and name H5) or
        (segid BCD2 and resid 5 and name H5) or
        (segid BCD2 and resid 6 and name H5) or
        (segid BCD2 and resid 7 and name H5) or
        (segid BCD2 and resid 1 and name H61) or
        (segid BCD2 and resid 2 and name H61) or
        (segid BCD2 and resid 3 and name H61) or
        (segid BCD2 and resid 4 and name H61) or
        (segid BCD2 and resid 5 and name H61) or
        (segid BCD2 and resid 6 and name H61) or
        (segid BCD2 and resid 7 and name H61) or
        (segid BCD2 and resid 1 and name H62) or
        (segid BCD2 and resid 2 and name H62) or
        (segid BCD2 and resid 3 and name H62) or
        (segid BCD2 and resid 4 and name H62) or
        (segid BCD2 and resid 5 and name H62) or
        (segid BCD2 and resid 6 and name H62) or
        (segid BCD2 and resid 7 and name H62))    3.00 1.10 0.50 ! 3
assign (resid 527 and name  hb# )
       ((segid BCD2 and resid 1 and name H5) or
        (segid BCD2 and resid 2 and name H5) or
        (segid BCD2 and resid 3 and name H5) or
        (segid BCD2 and resid 4 and name H5) or
        (segid BCD2 and resid 5 and name H5) or
        (segid BCD2 and resid 6 and name H5) or
        (segid BCD2 and resid 7 and name H5) or
        (segid BCD2 and resid 1 and name H61) or
        (segid BCD2 and resid 2 and name H61) or
        (segid BCD2 and resid 3 and name H61) or
        (segid BCD2 and resid 4 and name H61) or
        (segid BCD2 and resid 5 and name H61) or
        (segid BCD2 and resid 6 and name H61) or
        (segid BCD2 and resid 7 and name H61) or
        (segid BCD2 and resid 1 and name H62) or
        (segid BCD2 and resid 2 and name H62) or
        (segid BCD2 and resid 3 and name H62) or
        (segid BCD2 and resid 4 and name H62) or
        (segid BCD2 and resid 5 and name H62) or
        (segid BCD2 and resid 6 and name H62) or
        (segid BCD2 and resid 7 and name H62))    5.00 3.10 0.80 ! 1 (check SS of beta later)
assign (resid 527 and name  hd# )
       ((segid BCD2 and resid 1 and name H5) or
        (segid BCD2 and resid 2 and name H5) or
        (segid BCD2 and resid 3 and name H5) or
        (segid BCD2 and resid 4 and name H5) or
        (segid BCD2 and resid 5 and name H5) or
        (segid BCD2 and resid 6 and name H5) or
        (segid BCD2 and resid 7 and name H5) or
        (segid BCD2 and resid 1 and name H61) or
        (segid BCD2 and resid 2 and name H61) or
        (segid BCD2 and resid 3 and name H61) or
        (segid BCD2 and resid 4 and name H61) or
        (segid BCD2 and resid 5 and name H61) or
        (segid BCD2 and resid 6 and name H61) or
        (segid BCD2 and resid 7 and name H61) or
        (segid BCD2 and resid 1 and name H62) or
        (segid BCD2 and resid 2 and name H62) or
        (segid BCD2 and resid 3 and name H62) or
        (segid BCD2 and resid 4 and name H62) or
        (segid BCD2 and resid 5 and name H62) or
        (segid BCD2 and resid 6 and name H62) or
        (segid BCD2 and resid 7 and name H62))    2.40 0.50 0.30 ! 5
assign (resid 527 and name  hd# )
       ((segid BCD2 and resid 1 and name H3) or
        (segid BCD2 and resid 2 and name H3) or
        (segid BCD2 and resid 3 and name H3) or
        (segid BCD2 and resid 4 and name H3) or
        (segid BCD2 and resid 5 and name H3) or
        (segid BCD2 and resid 6 and name H3) or
        (segid BCD2 and resid 7 and name H3))     2.40 0.50 0.30 ! 5
assign (resid 527 and name  he# )
       ((segid BCD2 and resid 1 and name H5) or
        (segid BCD2 and resid 2 and name H5) or
        (segid BCD2 and resid 3 and name H5) or
        (segid BCD2 and resid 4 and name H5) or
        (segid BCD2 and resid 5 and name H5) or
        (segid BCD2 and resid 6 and name H5) or
        (segid BCD2 and resid 7 and name H5) or
        (segid BCD2 and resid 1 and name H61) or
        (segid BCD2 and resid 2 and name H61) or
        (segid BCD2 and resid 3 and name H61) or
        (segid BCD2 and resid 4 and name H61) or
        (segid BCD2 and resid 5 and name H61) or
        (segid BCD2 and resid 6 and name H61) or
        (segid BCD2 and resid 7 and name H61) or
        (segid BCD2 and resid 1 and name H62) or
        (segid BCD2 and resid 2 and name H62) or
        (segid BCD2 and resid 3 and name H62) or
        (segid BCD2 and resid 4 and name H62) or
        (segid BCD2 and resid 5 and name H62) or
        (segid BCD2 and resid 6 and name H62) or
        (segid BCD2 and resid 7 and name H62))    2.40 0.50 0.30 ! 5
assign (resid 527 and name  he# )
       ((segid BCD2 and resid 1 and name H3) or
        (segid BCD2 and resid 2 and name H3) or
        (segid BCD2 and resid 3 and name H3) or
        (segid BCD2 and resid 4 and name H3) or
        (segid BCD2 and resid 5 and name H3) or
        (segid BCD2 and resid 6 and name H3) or
        (segid BCD2 and resid 7 and name H3))     2.40 0.50 0.30 ! 5
assign (resid 553 and name  hb# )
       ((segid BCD2 and resid 1 and name H5) or
        (segid BCD2 and resid 2 and name H5) or
        (segid BCD2 and resid 3 and name H5) or
        (segid BCD2 and resid 4 and name H5) or
        (segid BCD2 and resid 5 and name H5) or
        (segid BCD2 and resid 6 and name H5) or
        (segid BCD2 and resid 7 and name H5) or
        (segid BCD2 and resid 1 and name H61) or
        (segid BCD2 and resid 2 and name H61) or
        (segid BCD2 and resid 3 and name H61) or
        (segid BCD2 and resid 4 and name H61) or
        (segid BCD2 and resid 5 and name H61) or
        (segid BCD2 and resid 6 and name H61) or
        (segid BCD2 and resid 7 and name H61) or
        (segid BCD2 and resid 1 and name H62) or
        (segid BCD2 and resid 2 and name H62) or
        (segid BCD2 and resid 3 and name H62) or
        (segid BCD2 and resid 4 and name H62) or
        (segid BCD2 and resid 5 and name H62) or
        (segid BCD2 and resid 6 and name H62) or
        (segid BCD2 and resid 7 and name H62))    2.60 0.70 0.40 !poss_ol_red_by_1 4
assign (resid 553 and name  hb# ) (segid BCD2 and resid 1 and name H3) 2.60 0.70 0.40 ! 4
!      ((segid BCD2 and resid 1 and name H3) or
!       (segid BCD2 and resid 2 and name H3) or
!       (segid BCD2 and resid 3 and name H3) or
!       (segid BCD2 and resid 4 and name H3) or
!       (segid BCD2 and resid 5 and name H3) or
!       (segid BCD2 and resid 6 and name H3) or
!       (segid BCD2 and resid 7 and name H3))     2.60 0.70 0.40 ! 4
assign (resid 556 and name  hd# )
       ((segid BCD2 and resid 1 and name H5) or
        (segid BCD2 and resid 2 and name H5) or
        (segid BCD2 and resid 3 and name H5) or
        (segid BCD2 and resid 4 and name H5) or
        (segid BCD2 and resid 5 and name H5) or
        (segid BCD2 and resid 6 and name H5) or
        (segid BCD2 and resid 7 and name H5) or
        (segid BCD2 and resid 1 and name H61) or
        (segid BCD2 and resid 2 and name H61) or
        (segid BCD2 and resid 3 and name H61) or
        (segid BCD2 and resid 4 and name H61) or
        (segid BCD2 and resid 5 and name H61) or
        (segid BCD2 and resid 6 and name H61) or
        (segid BCD2 and resid 7 and name H61) or
        (segid BCD2 and resid 1 and name H62) or
        (segid BCD2 and resid 2 and name H62) or
        (segid BCD2 and resid 3 and name H62) or
        (segid BCD2 and resid 4 and name H62) or
        (segid BCD2 and resid 5 and name H62) or
        (segid BCD2 and resid 6 and name H62) or
        (segid BCD2 and resid 7 and name H62))    3.00 1.10 0.50 ! 3
assign (resid 556 and name  hd# )
       ((segid BCD2 and resid 1 and name H3) or
        (segid BCD2 and resid 2 and name H3) or
        (segid BCD2 and resid 3 and name H3) or
        (segid BCD2 and resid 4 and name H3) or
        (segid BCD2 and resid 5 and name H3) or
        (segid BCD2 and resid 6 and name H3) or
        (segid BCD2 and resid 7 and name H3))     5.00 3.10 0.80 ! 1
assign (resid 556 and name  he# )
       ((segid BCD2 and resid 1 and name H5) or
        (segid BCD2 and resid 2 and name H5) or
        (segid BCD2 and resid 3 and name H5) or
        (segid BCD2 and resid 4 and name H5) or
        (segid BCD2 and resid 5 and name H5) or
        (segid BCD2 and resid 6 and name H5) or
        (segid BCD2 and resid 7 and name H5) or
        (segid BCD2 and resid 1 and name H61) or
        (segid BCD2 and resid 2 and name H61) or
        (segid BCD2 and resid 3 and name H61) or
        (segid BCD2 and resid 4 and name H61) or
        (segid BCD2 and resid 5 and name H61) or
        (segid BCD2 and resid 6 and name H61) or
        (segid BCD2 and resid 7 and name H61) or
        (segid BCD2 and resid 1 and name H62) or
        (segid BCD2 and resid 2 and name H62) or
        (segid BCD2 and resid 3 and name H62) or
        (segid BCD2 and resid 4 and name H62) or
        (segid BCD2 and resid 5 and name H62) or
        (segid BCD2 and resid 6 and name H62) or
        (segid BCD2 and resid 7 and name H62))    2.60 0.70 0.40 !ol 4
assign (resid 556 and name  he# )
       ((segid BCD2 and resid 1 and name H3) or
        (segid BCD2 and resid 2 and name H3) or
        (segid BCD2 and resid 3 and name H3) or
        (segid BCD2 and resid 4 and name H3) or
        (segid BCD2 and resid 5 and name H3) or
        (segid BCD2 and resid 6 and name H3) or
        (segid BCD2 and resid 7 and name H3))     2.60 0.70 0.40 !ol 4
assign (resid 562 and name   hg )
       ((segid BCD2 and resid 1 and name H1) or
        (segid BCD2 and resid 2 and name H1) or
        (segid BCD2 and resid 3 and name H1) or
        (segid BCD2 and resid 4 and name H1) or
        (segid BCD2 and resid 5 and name H1) or
        (segid BCD2 and resid 6 and name H1) or
        (segid BCD2 and resid 7 and name H1))     3.00 1.10 0.50 ! 3
!
!dihedral.tbl
!for SBD/bCD complex
!
!"!" = not used due to pk ol
!"!!" = not measured/can't measure (ol); free SBD values in ( )
! 
!set message=off echo=off end
!
restraints dihedral reset
!
!phi restraints----------------------------------------------OK 200696----------
!J >= 8.0, -120 +/- 40
!7.0 <= J < 8.0, -120 +/- 50
!J <= 5.5, -65 +/- 25
!
!!assign (resid 512 and name C)  (resid 513 and name N)
!!       (resid 513 and name CA) (resid 513 and name C) 1.0 -65.0 25.0 2 !(T513) (2.45)
assign (resid 513 and name C)  (resid 514 and name N)
       (resid 514 and name CA) (resid 514 and name C) 1.0 -120.0 40.0 2 !A514 10.3
assign (resid 514 and name C)  (resid 515 and name N)
       (resid 515 and name CA) (resid 515 and name C) 1.0 -120.0 40.0 2 !V515 9.5 (10.59) ol
assign (resid 515 and name C)  (resid 516 and name N)
       (resid 516 and name CA) (resid 516 and name C) 1.0 -120.0 40.0 2 !A516 >8.0
assign (resid 516 and name C)  (resid 517 and name N)
       (resid 517 and name CA) (resid 517 and name C) 1.0 -120.0 40.0 2 !V517 14.5
assign (resid 517 and name C)  (resid 518 and name N)
       (resid 518 and name CA) (resid 518 and name C) 1.0 -120.0 40.0 2 !T518 >8.0 
assign (resid 518 and name C)  (resid 519 and name N)
       (resid 519 and name CA) (resid 519 and name C) 1.0 -120.0 40.0 2 !F519 10.8 (10.80) poor fit
assign (resid 519 and name C)  (resid 520 and name N)
       (resid 520 and name CA) (resid 520 and name C) 1.0 -120.0 40.0 2 !D520 11.1
assign (resid 520 and name C)  (resid 521 and name N)
       (resid 521 and name CA) (resid 521 and name C) 1.0 -120.0 40.0 2 !L521 large, wk pk
!assign (resid 521 and name C)  (resid 522 and name N)
!       (resid 522 and name CA) (resid 522 and name C) 1.0 -120.0 40.0 2 !T522 9.5 ol T568
assign (resid 522 and name C)  (resid 523 and name N)
       (resid 523 and name CA) (resid 523 and name C) 1.0 -120.0 40.0 2 !A523 9.7 
!assign (resid 523 and name C)  (resid 524 and name N)
!       (resid 524 and name CA) (resid 524 and name C) 1.0 -65.0 25.0 2 !T524 (5.22) ol F575,T612
!!assign (resid 529 and name C)  (resid 530 and name N)
!!       (resid 530 and name CA) (resid 530 and name C) 1.0 -120.0 40.0 2 !N530 (10.63)
assign (resid 530 and name C)  (resid 531 and name N)
       (resid 531 and name CA) (resid 531 and name C) 1.0 -120.0 40.0 2 !I531 lge,br (1.35)
assign (resid 531 and name C)  (resid 532 and name N)
       (resid 532 and name CA) (resid 532 and name C) 1.0 -120.0 40.0 2 !Y532 13.3 (11.20)
assign (resid 532 and name C)  (resid 533 and name N)
       (resid 533 and name CA) (resid 533 and name C) 1.0 -120.0 40.0 2 !L533 13.0 wk
assign (resid 533 and name C)  (resid 534 and name N)
       (resid 534 and name CA) (resid 534 and name C) 1.0 -120.0 40.0 2 !V534 11.7 (8.94)
assign (resid 535 and name C)  (resid 536 and name N)
       (resid 536 and name CA) (resid 536 and name C) 1.0 -120.0 40.0 2 !S536 9.3
assign (resid 536 and name C)  (resid 537 and name N)
       (resid 537 and name CA) (resid 537 and name C) 1.0 -120.0 40.0 2 !I537 8.9 (9.37)
assign (resid 537 and name C)  (resid 538 and name N)
       (resid 538 and name CA) (resid 538 and name C) 1.0 -65.0 25.0 2 !S538 2.4
assign (resid 538 and name C)  (resid 539 and name N)
       (resid 539 and name CA) (resid 539 and name C) 1.0 -65.0 25.0 2 !Q539 4.6 single value
!assign (resid 539 and name C)  (resid 540 and name N)
!       (resid 540 and name CA) (resid 540 and name C) 1.0 -120.0 40.0 2 !L540 12.5 ol E573
!assign (resid 540 and name C)  (resid 541 and name N)
!       (resid 541 and name CA) (resid 541 and name C) 1.0 maybe add later; G541 alpha_3.94ppm = 3.5Hz, alpha_3.65ppm = 8.4Hz
assign (resid 542 and name C)  (resid 543 and name N)
       (resid 543 and name CA) (resid 543 and name C) 1.0 -120.0 50.0 2 !W543 7.5
assign (resid 544 and name C)  (resid 545 and name N)
       (resid 545 and name CA) (resid 545 and name C) 1.0 -65.0 25.0 2 !T545 4.2
assign (resid 545 and name C)  (resid 546 and name N)
       (resid 546 and name CA) (resid 546 and name C) 1.0 -65.0 25.0 2 !S546 3.3
assign (resid 546 and name C)  (resid 547 and name N)
       (resid 547 and name CA) (resid 547 and name C) 1.0 -120.0 40.0 2 !D547 11.3 (10.59)
assign (resid 547 and name C)  (resid 548 and name N)
       (resid 548 and name CA) (resid 548 and name C) 1.0 -65.0 25.0 2 !G548 4.6 & 2.5
assign (resid 548 and name C)  (resid 549 and name N)
       (resid 549 and name CA) (resid 549 and name C) 1.0 -120.0 40.0 2 !I549 12.6 (9.96)
assign (resid 549 and name C)  (resid 550 and name N)
       (resid 550 and name CA) (resid 550 and name C) 1.0 -65.0 25.0 2 !A550 2.5
assign (resid 551 and name C)  (resid 552 and name N)
       (resid 552 and name CA) (resid 552 and name C) 1.0 -120.0 40.0 2 !S552 11.3 (10.97)
assign (resid 552 and name C)  (resid 553 and name N)
       (resid 553 and name CA) (resid 553 and name C) 1.0 -120.0 40.0 2 !A553 9.6 (10.30)
assign (resid 553 and name C)  (resid 554 and name N)
       (resid 554 and name CA) (resid 554 and name C) 1.0 -65.0 25.0 2 !D554 4.9
!!assign (resid 554 and name C)  (resid 555 and name N)
!!       (resid 555 and name CA) (resid 555 and name C) 1.0 -120.0 40.0 2 !K555 (10.13)
assign (resid 556 and name C)  (resid 557 and name N)
       (resid 557 and name CA) (resid 557 and name C) 1.0 -120.0 40.0 2 !T557 10.0 (8.44)
assign (resid 557 and name C)  (resid 558 and name N)
       (resid 558 and name CA) (resid 558 and name C) 1.0 -65.0 25.0 2 !S558 sml
assign (resid 558 and name C)  (resid 559 and name N)
       (resid 559 and name CA) (resid 559 and name C) 1.0 -120.0 40.0 2 !S559 8.6
!!assign (resid 559 and name C)  (resid 560 and name N)
!!       (resid 560 and name CA) (resid 560 and name C) 1.0 -120.0 40.0 2 !D560 (9.45)
!!assign (resid 561 and name C)  (resid 562 and name N)
!!       (resid 562 and name CA) (resid 562 and name C) 1.0 -120.0 40.0 2 !L562 (9.67)
!!assign (resid 562 and name C)  (resid 563 and name N)
!!       (resid 563 and name CA) (resid 563 and name C) 1.0 -120.0 40.0 2 !W563 (14.01)
assign (resid 563 and name C)  (resid 564 and name N)
       (resid 564 and name CA) (resid 564 and name C) 1.0 -120.0 40.0 2 !Y564 11.5 single value
assign (resid 565 and name C)  (resid 566 and name N)
       (resid 566 and name CA) (resid 566 and name C) 1.0 -120.0 40.0 2 !T566 large
assign (resid 566 and name C)  (resid 567 and name N)
       (resid 567 and name CA) (resid 567 and name C) 1.0 -120.0 40.0 2 !V567 11.4 (11.05)
assign (resid 568 and name C)  (resid 569 and name N)
       (resid 569 and name CA) (resid 569 and name C) 1.0 -120.0 40.0 2 !L569 13.8
assign (resid 570 and name C)  (resid 571 and name N)
       (resid 571 and name CA) (resid 571 and name C) 1.0 -120.0 40.0 2 !A571 large
assign (resid 572 and name C)  (resid 573 and name N)
       (resid 573 and name CA) (resid 573 and name C) 1.0 -120.0 40.0 2 !E573 11.0
assign (resid 573 and name C)  (resid 574 and name N)
       (resid 574 and name CA) (resid 574 and name C) 1.0 -120.0 40.0 2 !S574 10.4 (9.67)
assign (resid 574 and name C)  (resid 575 and name N)
       (resid 575 and name CA) (resid 575 and name C) 1.0 -120.0 40.0 2 !F575 9.4
assign (resid 575 and name C)  (resid 576 and name N)
       (resid 576 and name CA) (resid 576 and name C) 1.0 -120.0 40.0 2 !E576 large single value
assign (resid 576 and name C)  (resid 577 and name N)
       (resid 577 and name CA) (resid 577 and name C) 1.0 -120.0 40.0 2 !Y577 10.0 (8.61)
assign (resid 580 and name C)  (resid 581 and name N)
       (resid 581 and name CA) (resid 581 and name C) 1.0 -120.0 40.0 2 !R581 12.2 (12.12)
assign (resid 581 and name C)  (resid 582 and name N)
       (resid 582 and name CA) (resid 582 and name C) 1.0 -120.0 40.0 2 !I582 12.0
assign (resid 583 and name C)  (resid 584 and name N)
       (resid 584 and name CA) (resid 584 and name C) 1.0 -65.0 25.0 2 !S584 1.6
assign (resid 584 and name C)  (resid 585 and name N)
       (resid 585 and name CA) (resid 585 and name C) 1.0 -120.0 40.0 2 !D585 10.2
!!assign (resid 585 and name C)  (resid 586 and name N)
!!       (resid 586 and name CA) (resid 586 and name C) 1.0 -65.0 25.0 2 !D586 (3.38)
assign (resid 586 and name C)  (resid 587 and name N)
       (resid 587 and name CA) (resid 587 and name C) 1.0 -120.0 50.0 2 !S587 7.4 (7.67)
assign (resid 587 and name C)  (resid 588 and name N)
       (resid 588 and name CA) (resid 588 and name C) 1.0 -120.0 40.0 2 !V588 large (10.80)
assign (resid 588 and name C)  (resid 589 and name N)
       (resid 589 and name CA) (resid 589 and name C) 1.0 -120.0 40.0 2 !E589 12.9 (10.46) poor fit
!!assign (resid 589 and name C)  (resid 590 and name N)
!!       (resid 590 and name CA) (resid 590 and name C) 1.0 -120.0 40.0 2 !W590 (8.44)
assign (resid 592 and name C)  (resid 593 and name N)
       (resid 593 and name CA) (resid 593 and name C) 1.0 -65.0 25.0 2 !D593 3.9 (4.39)
assign (resid 595 and name C)  (resid 596 and name N)
       (resid 596 and name CA) (resid 596 and name C) 1.0 -120.0 40.0 2 !R596 9.8
assign (resid 596 and name C)  (resid 597 and name N)
       (resid 597 and name CA) (resid 597 and name C) 1.0 -120.0 40.0 2 !E597 10.8
assign (resid 598 and name C)  (resid 599 and name N)
       (resid 599 and name CA) (resid 599 and name C) 1.0 -120.0 40.0 2 !T599 8.3 (9.29)
!!assign (resid 599 and name C)  (resid 600 and name N)
!!       (resid 600 and name CA) (resid 600 and name C) 1.0 -65.0 25.0 2 !V600 (1.86)
!!assign (resid 607 and name C)  (resid 608 and name N)
!!       (resid 608 and name CA) (resid 608 and name C) 1.0 -120.0 40.0 2 !T608 (12.49)
assign (resid 608 and name C)  (resid 609 and name N)
       (resid 609 and name CA) (resid 609 and name C) 1.0 -120.0 40.0 2 !A609 12.4
assign (resid 609 and name C)  (resid 610 and name N)
       (resid 610 and name CA) (resid 610 and name C) 1.0 -120.0 40.0 2 !T610 12.7
assign (resid 610 and name C)  (resid 611 and name N)
       (resid 611 and name CA) (resid 611 and name C) 1.0 -120.0 40.0 2 !V611 13.1
assign (resid 611 and name C)  (resid 612 and name N)
       (resid 612 and name CA) (resid 612 and name C) 1.0 -120.0 40.0 2 !T612 9.5 (11.65)
assign (resid 612 and name C)  (resid 613 and name N)
       (resid 613 and name CA) (resid 613 and name C) 1.0 -120.0 40.0 2 !D613 12.2 (9.62)
assign (resid 613 and name C)  (resid 614 and name N)
       (resid 614 and name CA) (resid 614 and name C) 1.0 -120.0 40.0 2 !T614 12.9
assign (resid 615 and name C)  (resid 616 and name N)
       (resid 616 and name CA) (resid 616 and name C) 1.0 -120.0 40.0 2 !R616 9.2
!
!chi1 restraints beta-methylenes single predominant rotamers---------------OK 240696----
!
assign (resid 520 and name N)  (resid 520 and name CA)
       (resid 520 and name CB) (resid 520 and name CG) 1.0 -60.0 30.0 2 !D520
assign (resid 527 and name N)  (resid 527 and name CA)
       (resid 527 and name CB) (resid 527 and name CG) 1.0 180.0 30.0 2 !Y527
assign (resid 529 and name N)  (resid 529 and name CA)
       (resid 529 and name CB) (resid 529 and name CG) 1.0 60.0 30.0 2 !E529
assign (resid 539 and name N)  (resid 539 and name CA)
       (resid 539 and name CB) (resid 539 and name CG) 1.0 180.0 30.0 2 !Q539
assign (resid 544 and name N)  (resid 544 and name CA)
       (resid 544 and name CB) (resid 544 and name CG) 1.0 180.0 30.0 2 !E544
assign (resid 552 and name N)  (resid 552 and name CA)
       (resid 552 and name CB) (resid 552 and name OG) 1.0 180.0 30.0 2 !S552
assign (resid 554 and name N)  (resid 554 and name CA)
       (resid 554 and name CB) (resid 554 and name CG) 1.0 60.0 30.0 2 !D554
assign (resid 564 and name N)  (resid 564 and name CA)
       (resid 564 and name CB) (resid 564 and name CG) 1.0 60.0 30.0 2 !Y564
assign (resid 585 and name N)  (resid 585 and name CA)
       (resid 585 and name CB) (resid 585 and name CG) 1.0 60.0 40.0 2 !D585
assign (resid 595 and name N)  (resid 595 and name CA)
       (resid 595 and name CB) (resid 595 and name CG) 1.0 60.0 30.0 2 !N595
!
!chi1 beta-methylenes 60 deg rotamer only can be excluded (not SS assigned)--OK 240696-
!
!assign (resid 556 and name N)  (resid 556 and name CA)
!       (resid 556 and name CB) (resid 556 and name CG) 1.0 -120.0 90.0 2 !Y556
!after prelim calc, above dihedral converged so now constrain to following (171096)------
assign (resid 556 and name N)  (resid 556 and name CA)
       (resid 556 and name CB) (resid 556 and name CG) 1.0 -60.0 40.0 2 !Y556
!
!chi1 valines---------------------------------------------------OK 210696--------------
!
assign (resid 515 and name N)  (resid 515 and name CA)
       (resid 515 and name CB) (resid 515 and name CG1) 1.0 180.0 30.0 2 !g1=0.36, g2=0.73
assign (resid 517 and name N)  (resid 517 and name CA)
       (resid 517 and name CB) (resid 517 and name CG1) 1.0 180.0 30.0 2 !g1=-0.12, g2=0.92
assign (resid 534 and name N)  (resid 534 and name CA)
       (resid 534 and name CB) (resid 534 and name CG1) 1.0 60.0 30.0 2 !g1=0.82, g2=0.69
assign (resid 565 and name N)  (resid 565 and name CA)
       (resid 565 and name CB) (resid 565 and name CG1) 1.0 60.0 30.0 2 !g1=0.74, g2=1.00
assign (resid 567 and name N)  (resid 567 and name CA)
       (resid 567 and name CB) (resid 567 and name CG1) 1.0 180.0 30.0 2 !gg'=0.79,0.80 (not SS assigned)
assign (resid 588 and name N)  (resid 588 and name CA)
       (resid 588 and name CB) (resid 588 and name CG1) 1.0 180.0 30.0 2 !g1=0.35, g2=0.73
assign (resid 600 and name N)  (resid 600 and name CA)
       (resid 600 and name CB) (resid 600 and name CG1) 1.0 180.0 30.0 2 !g1=0.93, g2=1.25
assign (resid 611 and name N)  (resid 611 and name CA)
       (resid 611 and name CB) (resid 611 and name CG1) 1.0 180.0 30.0 2 !g1=0.63, g2=-0.29
!
!chi1 threonines----------------------------------------------OK 210696--------------
!
assign (resid 513 and name N)  (resid 513 and name CA)
       (resid 513 and name CB) (resid 513 and name OG1) 1.0 60.0 30.0 2 !NOEs
assign (resid 525 and name N)  (resid 525 and name CA)
       (resid 525 and name CB) (resid 525 and name OG1) 1.0 180.0 30.0 2 !NOEs & pk shape
assign (resid 526 and name N)  (resid 526 and name CA)
       (resid 526 and name CB) (resid 526 and name OG1) 1.0 180.0 30.0 2 !NOEs
assign (resid 545 and name N)  (resid 545 and name CA)
       (resid 545 and name CB) (resid 545 and name OG1) 1.0 60.0 30.0 2 !NOEs & pk shape
assign (resid 566 and name N)  (resid 566 and name CA)
       (resid 566 and name CB) (resid 566 and name OG1) 1.0 0.0 90.0 2 !60/-60, NOEs
assign (resid 568 and name N)  (resid 568 and name CA)
       (resid 568 and name CB) (resid 568 and name OG1) 1.0 60.0 30.0 2 !NOEs
assign (resid 608 and name N)  (resid 608 and name CA)
       (resid 608 and name CB) (resid 608 and name OG1) 1.0 60.0 30.0 2 !NOEs
assign (resid 610 and name N)  (resid 610 and name CA)
       (resid 610 and name CB) (resid 610 and name OG1) 1.0 60.0 30.0 2 !NOEs
assign (resid 612 and name N)  (resid 612 and name CA)
       (resid 612 and name CB) (resid 612 and name OG1) 1.0 60.0 30.0 2 !NOEs
!
!chi1 constraints added after preliminary calculation---------OK 171096-------------
! where >=70% converge to (chi1 +/- 30) ==> use chi1 +/- 30 deg
! where >=70% converge to (chi1 +/- 35) ==> use chi1 +/- 40 deg
!*chi1 constraints added after calculation--------------------OK 221096------------
!**chi1 constraints added after calculation--------------------OK 281096------------
!***chi1 constraints added after calculation--------------------OK 161196------------
!
assign (resid 519 and name N)  (resid 519 and name CA)
       (resid 519 and name CB) (resid 519 and name CG) 1.0 -60.0 30.0 2 !F519
assign (resid 521 and name N)  (resid 521 and name CA)
       (resid 521 and name CB) (resid 521 and name CG) 1.0 180.0 30.0 2 !L521
assign (resid 522 and name N)  (resid 522 and name CA)
       (resid 522 and name CB) (resid 522 and name OG1) 1.0 -60.0 40.0 2 !T522**
assign (resid 524 and name N)  (resid 524 and name CA)
       (resid 524 and name CB) (resid 524 and name OG1) 1.0 180.0 30.0 2 !T524***
assign (resid 530 and name N)  (resid 530 and name CA)
       (resid 530 and name CB) (resid 530 and name CG) 1.0 180.0 30.0 2 !N530
assign (resid 542 and name N)  (resid 542 and name CA)
       (resid 542 and name CB) (resid 542 and name CG) 1.0 180.0 30.0 2 !D542**
assign (resid 545 and name N)  (resid 545 and name CA)
       (resid 545 and name CB) (resid 545 and name OG1) 1.0 60.0 40.0 2 !T545
assign (resid 547 and name N)  (resid 547 and name CA)
       (resid 547 and name CB) (resid 547 and name CG) 1.0 -60.0 30.0 2 !D547
assign (resid 551 and name N)  (resid 551 and name CA)
       (resid 551 and name CB) (resid 551 and name CG) 1.0 -60.0 30.0 2 !L551
assign (resid 557 and name N)  (resid 557 and name CA)
       (resid 557 and name CB) (resid 557 and name OG1) 1.0 -60.0 30.0 2 !T557*
assign (resid 563 and name N)  (resid 563 and name CA)
       (resid 563 and name CB) (resid 563 and name CG) 1.0 -60.0 30.0 2 !W563
assign (resid 569 and name N)  (resid 569 and name CA)
       (resid 569 and name CB) (resid 569 and name CG) 1.0 180.0 40.0 2 !L569
assign (resid 575 and name N)  (resid 575 and name CA)
       (resid 575 and name CB) (resid 575 and name CG) 1.0 -60.0 30.0 2 !F575
assign (resid 576 and name N)  (resid 576 and name CA)
       (resid 576 and name CB) (resid 576 and name CG) 1.0 -60.0 40.0 2 !E576*
assign (resid 577 and name N)  (resid 577 and name CA)
       (resid 577 and name CB) (resid 577 and name CG) 1.0 -60.0 30.0 2 !Y577*
assign (resid 579 and name N)  (resid 579 and name CA)
       (resid 579 and name CB) (resid 579 and name CG) 1.0 180.0 30.0 2 !F579
assign (resid 581 and name N)  (resid 581 and name CA)
       (resid 581 and name CB) (resid 581 and name CG) 1.0 180.0 30.0 2 !R581***
assign (resid 583 and name N)  (resid 583 and name CA)
       (resid 583 and name CB) (resid 583 and name CG) 1.0 180.0 30.0 2 !E583**
assign (resid 590 and name N)  (resid 590 and name CA)
       (resid 590 and name CB) (resid 590 and name CG) 1.0 -60.0 30.0 2 !W590
assign (resid 591 and name N)  (resid 591 and name CA)
       (resid 591 and name CB) (resid 591 and name CG) 1.0 180.0 40.0 2 !E591*
assign (resid 592 and name N)  (resid 592 and name CA)
       (resid 592 and name CB) (resid 592 and name OG) 1.0 180.0 30.0 2 !S592***
assign (resid 597 and name N)  (resid 597 and name CA)
       (resid 597 and name CB) (resid 597 and name CG) 1.0 60.0 30.0 2 !E597
assign (resid 598 and name N)  (resid 598 and name CA)
       (resid 598 and name CB) (resid 598 and name CG) 1.0 180.0 30.0 2 !Y598
assign (resid 613 and name N)  (resid 613 and name CA)
       (resid 613 and name CB) (resid 613 and name CG) 1.0 -60.0 40.0 2 !D613
!
!chi2 leucine--------------------------------------------------------------------
!
!chi2 aromatics-------------------------------------------------------
!assign (resid 43 and name ca)  (resid 43 and name cb)
!       (resid 43 and name cg) (resid 43 and name cd1) 1.0 90.0 35.0 2
!chi2 leucine---------------------------------------------------------
!assign (resid 12 and name ca) (resid 12 and name cb)
!       (resid 12 and name cg) (resid 12 and name cd1) 1.0 60.0 40.0 2
!chi2 Glu---------------------------------------------------------------
!assign (resid 27 and name ca) (resid 27 and name cb) 
!       (resid 27 and name cg) (resid 27 and name cd) 1.0 180.0 40.0 2
!chi2 ile-------------------------------------------------------------
!assign (resid 6 and name ca) (resid 6 and name cb)
!       (resid 6 and name cg1) (resid 6 and name cd1) 1.0 180.0 40.0 2
!chi2 asp--------------------------------------------------------------
!assign (resid 46 and name ca) (resid 46 and name cb)
!       (resid 46 and name cg) (resid 46 and name od1) 1.0 180.0 30.0 2
end
!set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS 509          1H        CYS 509   1.255 -27.870  -8.737
    2   2H    CYS 509          3H        CYS 509   1.835 -28.272  -7.195
    3   3H    CYS 509          2H        CYS 509   0.384 -28.953  -7.759
    4    HA   CYS 509           HA       CYS 509  -0.732 -26.867  -7.683
    5   1HB   CYS 509          2HB       CYS 509  -0.546 -28.153  -5.563
    6   2HB   CYS 509          1HB       CYS 509   0.928 -27.267  -5.174
    7    H    THR 510           H        THR 510   0.044 -25.198  -9.015
    8    HA   THR 510           HA       THR 510   1.888 -23.301  -7.667
    9    HB   THR 510           HB       THR 510   3.200 -22.989  -9.720
   10    HG1  THR 510           HG1      THR 510   2.713 -24.033 -11.529
   11   1HG2  THR 510          1HG2      THR 510   3.826 -24.754  -8.024
   12   2HG2  THR 510          3HG2      THR 510   3.039 -25.940  -9.065
   13   3HG2  THR 510          2HG2      THR 510   4.445 -25.049  -9.648
   14    H    THR 511           H        THR 511  -1.065 -23.603  -8.583
   15    HA   THR 511           HA       THR 511  -1.412 -21.514 -10.576
   16    HB   THR 511           HB       THR 511  -3.747 -21.976  -8.907
   17    HG1  THR 511           HG1      THR 511  -3.895 -24.168  -9.225
   18   1HG2  THR 511          3HG2      THR 511  -3.627 -21.182 -11.304
   19   2HG2  THR 511          2HG2      THR 511  -3.170 -22.825 -11.754
   20   3HG2  THR 511          1HG2      THR 511  -4.747 -22.516 -11.028
   21    HA   PRO 512           HA       PRO 512  -2.619 -18.898  -6.768
   22   1HB   PRO 512          2HB       PRO 512  -2.263 -20.022  -4.285
   23   2HB   PRO 512          1HB       PRO 512  -3.765 -20.159  -5.215
   24   1HG   PRO 512          2HG       PRO 512  -1.664 -22.217  -4.732
   25   2HG   PRO 512          1HG       PRO 512  -3.386 -22.434  -5.085
   26   1HD   PRO 512          2HD       PRO 512  -1.259 -22.743  -6.928
   27   2HD   PRO 512          1HD       PRO 512  -2.987 -22.645  -7.330
   28    H    THR 513           H        THR 513  -0.474 -18.136  -7.677
   29    HA   THR 513           HA       THR 513   1.756 -18.484  -5.717
   30    HB   THR 513           HB       THR 513   3.225 -17.719  -7.593
   31    HG1  THR 513           HG1      THR 513   2.369 -17.131  -9.429
   32   1HG2  THR 513          2HG2      THR 513   1.571 -20.182  -7.620
   33   2HG2  THR 513          1HG2      THR 513   2.460 -19.830  -9.103
   34   3HG2  THR 513          3HG2      THR 513   3.325 -20.003  -7.575
   35    H    ALA 514           H        ALA 514  -0.653 -16.357  -6.540
   36    HA   ALA 514           HA       ALA 514   0.972 -13.911  -6.180
   37   1HB   ALA 514          2HB       ALA 514  -1.363 -14.463  -7.593
   38   2HB   ALA 514          1HB       ALA 514  -1.926 -13.555  -6.190
   39   3HB   ALA 514          3HB       ALA 514  -0.711 -12.859  -7.262
   40    H    VAL 515           H        VAL 515  -0.231 -12.247  -4.618
   41    HA   VAL 515           HA       VAL 515  -1.065 -13.697  -2.159
   42    HB   VAL 515           HB       VAL 515   0.883 -11.415  -2.221
   43   1HG1  VAL 515          2HG1      VAL 515  -0.796 -11.516  -0.315
   44   2HG1  VAL 515          1HG1      VAL 515  -0.079 -13.056   0.128
   45   3HG1  VAL 515          3HG1      VAL 515   0.903 -11.588   0.159
   46   1HG2  VAL 515          2HG2      VAL 515   1.180 -14.364  -1.652
   47   2HG2  VAL 515          1HG2      VAL 515   1.932 -13.462  -2.965
   48   3HG2  VAL 515          3HG2      VAL 515   2.424 -13.162  -1.299
   49    H    ALA 516           H        ALA 516  -3.240 -13.037  -2.310
   50    HA   ALA 516           HA       ALA 516  -3.859 -10.231  -2.852
   51   1HB   ALA 516          2HB       ALA 516  -5.395 -12.164  -3.440
   52   2HB   ALA 516          1HB       ALA 516  -5.718 -12.335  -1.714
   53   3HB   ALA 516          3HB       ALA 516  -6.168 -10.848  -2.552
   54    H    VAL 517           H        VAL 517  -3.425  -8.725  -1.274
   55    HA   VAL 517           HA       VAL 517  -4.045  -9.568   1.528
   56    HB   VAL 517           HB       VAL 517  -2.227  -7.299   1.318
   57   1HG1  VAL 517          3HG1      VAL 517  -2.838  -8.623   3.335
   58   2HG1  VAL 517          2HG1      VAL 517  -1.931  -9.978   2.665
   59   3HG1  VAL 517          1HG1      VAL 517  -1.093  -8.472   3.079
   60   1HG2  VAL 517          2HG2      VAL 517  -1.436  -8.713  -0.648
   61   2HG2  VAL 517          1HG2      VAL 517  -0.249  -8.354   0.618
   62   3HG2  VAL 517          3HG2      VAL 517  -1.017  -9.942   0.547
   63    H    THR 518           H        THR 518  -5.496  -8.186   2.529
   64    HA   THR 518           HA       THR 518  -6.371  -5.824   0.960
   65    HB   THR 518           HB       THR 518  -8.076  -5.968   3.105
   66    HG1  THR 518           HG1      THR 518  -7.120  -7.861   3.860
   67   1HG2  THR 518          2HG2      THR 518  -8.227  -7.457   0.470
   68   2HG2  THR 518          1HG2      THR 518  -9.604  -7.169   1.534
   69   3HG2  THR 518          3HG2      THR 518  -8.773  -5.809   0.779
   70    H    PHE 519           H        PHE 519  -5.627  -3.872   1.574
   71    HA   PHE 519           HA       PHE 519  -4.627  -3.602   4.371
   72   1HB   PHE 519          2HB       PHE 519  -3.749  -1.634   2.301
   73   2HB   PHE 519          1HB       PHE 519  -2.907  -2.210   3.718
   74    HD1  PHE 519           HD1      PHE 519  -4.231  -3.651   0.476
   75    HD2  PHE 519           HD2      PHE 519  -1.088  -3.513   3.391
   76    HE1  PHE 519           HE1      PHE 519  -2.921  -5.273  -0.862
   77    HE2  PHE 519           HE2      PHE 519   0.224  -5.140   2.052
   78    HZ   PHE 519           HZ       PHE 519  -0.701  -6.015  -0.062
   79    H    ASP 520           H        ASP 520  -5.018  -1.598   5.404
   80    HA   ASP 520           HA       ASP 520  -6.971   0.221   4.156
   81   1HB   ASP 520          2HB       ASP 520  -7.451  -1.577   6.498
   82   2HB   ASP 520          1HB       ASP 520  -8.087   0.059   6.584
   83    H    LEU 521           H        LEU 521  -6.946   2.317   5.314
   84    HA   LEU 521           HA       LEU 521  -5.122   2.654   7.550
   85   1HB   LEU 521          2HB       LEU 521  -3.658   2.455   5.447
   86   2HB   LEU 521          1HB       LEU 521  -4.313   4.034   5.004
   87    HG   LEU 521           HG       LEU 521  -3.107   3.531   7.723
   88   1HD1  LEU 521          2HD1      LEU 521  -1.741   3.435   5.242
   89   2HD1  LEU 521          1HD1      LEU 521  -1.343   4.992   5.961
   90   3HD1  LEU 521          3HD1      LEU 521  -1.023   3.500   6.845
   91   1HD2  LEU 521          2HD2      LEU 521  -3.756   5.945   6.018
   92   2HD2  LEU 521          1HD2      LEU 521  -4.446   5.532   7.590
   93   3HD2  LEU 521          3HD2      LEU 521  -2.757   6.049   7.469
   94    H    THR 522           H        THR 522  -6.106   4.151   8.762
   95    HA   THR 522           HA       THR 522  -7.984   5.983   7.444
   96    HB   THR 522           HB       THR 522  -7.182   6.081  10.351
   97    HG1  THR 522           HG1      THR 522  -9.140   4.446   9.111
   98   1HG2  THR 522          3HG2      THR 522  -8.637   7.876   9.262
   99   2HG2  THR 522          2HG2      THR 522  -9.858   6.621   9.055
  100   3HG2  THR 522          1HG2      THR 522  -9.326   7.075  10.674
  101    H    ALA 523           H        ALA 523  -7.084   7.699   6.329
  102    HA   ALA 523           HA       ALA 523  -5.324   9.455   7.916
  103   1HB   ALA 523          3HB       ALA 523  -4.512   8.289   5.253
  104   2HB   ALA 523          2HB       ALA 523  -3.620   9.558   6.109
  105   3HB   ALA 523          1HB       ALA 523  -3.754   7.946   6.805
  106    H    THR 524           H        THR 524  -7.931   9.353   6.254
  107    HA   THR 524           HA       THR 524  -9.228  10.804   4.924
  108    HB   THR 524           HB       THR 524  -8.565  12.130   7.052
  109    HG1  THR 524           HG1      THR 524  -9.282  14.133   5.712
  110   1HG2  THR 524          3HG2      THR 524  -6.468  12.837   5.199
  111   2HG2  THR 524          2HG2      THR 524  -7.360  14.277   5.694
  112   3HG2  THR 524          1HG2      THR 524  -6.617  13.236   6.909
  113    H    THR 525           H        THR 525  -9.220  12.372   3.052
  114    HA   THR 525           HA       THR 525  -6.553  12.707   1.777
  115    HB   THR 525           HB       THR 525  -7.847  10.558   1.081
  116    HG1  THR 525           HG1      THR 525  -6.509  10.630  -0.510
  117   1HG2  THR 525          2HG2      THR 525  -9.812  12.356   0.494
  118   2HG2  THR 525          1HG2      THR 525  -9.039  12.160  -1.078
  119   3HG2  THR 525          3HG2      THR 525  -9.679  10.763  -0.230
  120    H    THR 526           H        THR 526  -7.647  13.445  -0.779
  121    HA   THR 526           HA       THR 526  -9.493  15.668  -0.316
  122    HB   THR 526           HB       THR 526  -7.515  16.814   0.306
  123    HG1  THR 526           HG1      THR 526  -7.420  18.338  -1.273
  124   1HG2  THR 526          2HG2      THR 526  -6.289  15.029  -1.681
  125   2HG2  THR 526          1HG2      THR 526  -5.663  16.676  -1.735
  126   3HG2  THR 526          3HG2      THR 526  -5.582  15.750  -0.236
  127    H    TYR 527           H        TYR 527 -10.224  13.753  -1.788
  128    HA   TYR 527           HA       TYR 527 -10.681  12.901  -3.943
  129   1HB   TYR 527          2HB       TYR 527 -11.915  15.195  -3.429
  130   2HB   TYR 527          1HB       TYR 527 -10.927  15.763  -4.765
  131    HD1  TYR 527           HD2      TYR 527 -13.384  13.044  -3.838
  132    HD2  TYR 527           HD1      TYR 527 -11.576  15.327  -7.003
  133    HE1  TYR 527           HE2      TYR 527 -14.877  12.009  -5.378
  134    HE2  TYR 527           HE1      TYR 527 -13.163  14.286  -8.603
  135    HH   TYR 527           HH       TYR 527 -15.350  13.188  -8.577
  136    H    GLY 528           H        GLY 528  -7.754  13.454  -3.535
  137   1HA   GLY 528          2HA       GLY 528  -6.896  13.047  -6.226
  138   2HA   GLY 528          1HA       GLY 528  -6.631  14.739  -5.819
  139    H    GLU 529           H        GLU 529  -5.646  11.422  -5.063
  140    HA   GLU 529           HA       GLU 529  -2.953  11.931  -4.636
  141   1HB   GLU 529          2HB       GLU 529  -2.855  11.833  -2.067
  142   2HB   GLU 529          1HB       GLU 529  -3.299  13.375  -2.790
  143   1HG   GLU 529          2HG       GLU 529  -5.685  12.848  -2.444
  144   2HG   GLU 529          1HG       GLU 529  -5.228  11.311  -1.709
  145    H    ASN 530           H        ASN 530  -1.990  10.130  -2.909
  146    HA   ASN 530           HA       ASN 530  -3.748   7.737  -2.861
  147   1HB   ASN 530          2HB       ASN 530  -2.699   7.875  -5.165
  148   2HB   ASN 530          1HB       ASN 530  -1.144   7.616  -4.381
  149   1HD2  ASN 530          2HD2      ASN 530  -2.051   4.257  -3.337
  150   2HD2  ASN 530          1HD2      ASN 530  -1.354   5.631  -2.666
  151    H    ILE 531           H        ILE 531  -3.313   6.430  -1.148
  152    HA   ILE 531           HA       ILE 531  -0.687   6.911   0.269
  153    HB   ILE 531           HB       ILE 531  -3.133   7.124   1.377
  154   1HG1  ILE 531          2HG1      ILE 531  -1.017   5.831   2.999
  155   2HG1  ILE 531          1HG1      ILE 531  -0.872   7.478   2.429
  156   1HG2  ILE 531          1HG2      ILE 531  -2.420   4.222   1.587
  157   2HG2  ILE 531          3HG2      ILE 531  -3.469   5.022   2.750
  158   3HG2  ILE 531          2HG2      ILE 531  -3.926   4.944   1.051
  159   1HD1  ILE 531          1HD1      ILE 531  -3.486   6.798   3.685
  160   2HD1  ILE 531          3HD1      ILE 531  -2.080   6.824   4.781
  161   3HD1  ILE 531          2HD1      ILE 531  -2.494   8.253   3.824
  162    H    TYR 532           H        TYR 532   0.719   5.282  -0.126
  163    HA   TYR 532           HA       TYR 532  -0.302   2.795  -1.336
  164   1HB   TYR 532          2HB       TYR 532   2.086   4.443  -1.435
  165   2HB   TYR 532          1HB       TYR 532   2.375   2.708  -1.547
  166    HD1  TYR 532           HD1      TYR 532   0.424   5.535  -2.927
  167    HD2  TYR 532           HD2      TYR 532   1.792   1.465  -3.384
  168    HE1  TYR 532           HE1      TYR 532  -0.112   5.629  -5.376
  169    HE2  TYR 532           HE2      TYR 532   1.231   1.556  -5.835
  170    HH   TYR 532           HH       TYR 532  -0.023   2.764  -7.389
  171    H    LEU 533           H        LEU 533   1.504   1.058  -1.219
  172    HA   LEU 533           HA       LEU 533   2.293   0.510   1.555
  173   1HB   LEU 533          2HB       LEU 533   0.095  -0.709   0.549
  174   2HB   LEU 533          1HB       LEU 533   1.349  -1.813  -0.013
  175    HG   LEU 533           HG       LEU 533   0.702  -2.649   2.104
  176   1HD1  LEU 533          1HD1      LEU 533   3.152  -2.487   1.777
  177   2HD1  LEU 533          3HD1      LEU 533   3.137  -0.890   2.530
  178   3HD1  LEU 533          2HD1      LEU 533   2.716  -2.316   3.480
  179   1HD2  LEU 533          3HD2      LEU 533   0.539   0.252   2.753
  180   2HD2  LEU 533          2HD2      LEU 533  -0.548  -1.063   3.200
  181   3HD2  LEU 533          1HD2      LEU 533   0.972  -0.845   4.067
  182    H    VAL 534           H        VAL 534   4.447   1.093   0.660
  183    HA   VAL 534           HA       VAL 534   5.489  -0.688  -1.429
  184    HB   VAL 534           HB       VAL 534   5.993   1.870  -0.929
  185   1HG1  VAL 534          1HG1      VAL 534   7.120   1.543   1.198
  186   2HG1  VAL 534          3HG1      VAL 534   8.279   0.503   0.356
  187   3HG1  VAL 534          2HG1      VAL 534   8.169   2.196  -0.075
  188   1HG2  VAL 534          3HG2      VAL 534   7.482  -0.165  -2.285
  189   2HG2  VAL 534          2HG2      VAL 534   7.062   1.450  -2.797
  190   3HG2  VAL 534          1HG2      VAL 534   8.483   1.214  -1.784
  191    H    GLY 535           H        GLY 535   5.715  -2.710  -0.690
  192   1HA   GLY 535          2HA       GLY 535   7.245  -3.230   1.840
  193   2HA   GLY 535          1HA       GLY 535   6.105  -4.382   1.129
  194    H    SER 536           H        SER 536   9.082  -4.793   1.623
  195    HA   SER 536           HA       SER 536  10.516  -4.446  -0.889
  196   1HB   SER 536          2HB       SER 536  11.206  -6.435   1.262
  197   2HB   SER 536          1HB       SER 536  12.260  -5.714   0.059
  198    HG   SER 536           HG       SER 536  10.781  -4.079   1.769
  199    H    ILE 537           H        ILE 537   8.947  -5.465  -2.445
  200    HA   ILE 537           HA       ILE 537   9.892  -8.172  -2.642
  201    HB   ILE 537           HB       ILE 537   7.083  -7.888  -3.428
  202   1HG1  ILE 537          2HG1      ILE 537   8.020  -8.182  -0.569
  203   2HG1  ILE 537          1HG1      ILE 537   7.130  -6.812  -1.202
  204   1HG2  ILE 537          1HG2      ILE 537   8.982  -9.991  -2.552
  205   2HG2  ILE 537          3HG2      ILE 537   7.286 -10.234  -2.130
  206   3HG2  ILE 537          2HG2      ILE 537   7.756 -10.042  -3.820
  207   1HD1  ILE 537          1HD1      ILE 537   6.044  -9.630  -1.277
  208   2HD1  ILE 537          3HD1      ILE 537   5.730  -8.530   0.060
  209   3HD1  ILE 537          2HD1      ILE 537   5.160  -8.131  -1.550
  210    H    SER 538           H        SER 538   9.987  -8.987  -4.704
  211    HA   SER 538           HA       SER 538  10.902  -7.219  -6.653
  212   1HB   SER 538          2HB       SER 538  10.014 -10.000  -6.637
  213   2HB   SER 538          1HB       SER 538   9.676  -9.216  -8.178
  214    HG   SER 538           HG       SER 538  11.777 -10.067  -8.154
  215    H    GLN 539           H        GLN 539   7.564  -8.406  -6.301
  216    HA   GLN 539           HA       GLN 539   6.655  -6.498  -8.370
  217   1HB   GLN 539          2HB       GLN 539   5.800  -8.985  -7.875
  218   2HB   GLN 539          1HB       GLN 539   4.744  -8.126  -6.753
  219   1HG   GLN 539          2HG       GLN 539   4.749  -6.641  -9.171
  220   2HG   GLN 539          1HG       GLN 539   4.519  -8.334  -9.611
  221   1HE2  GLN 539          2HE2      GLN 539   1.799  -7.026  -6.831
  222   2HE2  GLN 539          1HE2      GLN 539   3.457  -6.775  -6.565
  223    H    LEU 540           H        LEU 540   7.038  -6.710  -4.981
  224    HA   LEU 540           HA       LEU 540   5.015  -4.657  -4.436
  225   1HB   LEU 540          2HB       LEU 540   6.014  -6.824  -3.001
  226   2HB   LEU 540          1HB       LEU 540   6.588  -5.415  -2.162
  227    HG   LEU 540           HG       LEU 540   4.100  -6.674  -1.923
  228   1HD1  LEU 540          2HD1      LEU 540   5.708  -4.909  -0.568
  229   2HD1  LEU 540          1HD1      LEU 540   4.253  -3.949  -0.873
  230   3HD1  LEU 540          3HD1      LEU 540   4.135  -5.488  -0.019
  231   1HD2  LEU 540          2HD2      LEU 540   3.429  -5.328  -3.983
  232   2HD2  LEU 540          1HD2      LEU 540   2.445  -5.098  -2.545
  233   3HD2  LEU 540          3HD2      LEU 540   3.643  -3.883  -2.991
  234    H    GLY 541           H        GLY 541   7.441  -3.952  -5.871
  235   1HA   GLY 541          2HA       GLY 541   9.645  -2.875  -5.259
  236   2HA   GLY 541          1HA       GLY 541   8.471  -1.781  -5.962
  237    H    ASP 542           H        ASP 542   9.129  -3.142  -2.781
  238    HA   ASP 542           HA       ASP 542   8.125  -1.164  -1.031
  239   1HB   ASP 542          2HB       ASP 542   9.550  -3.259  -0.608
  240   2HB   ASP 542          1HB       ASP 542  10.839  -2.176  -0.596
  241    H    TRP 543           H        TRP 543  10.816  -0.994  -3.012
  242    HA   TRP 543           HA       TRP 543  11.647   1.523  -1.728
  243   1HB   TRP 543          2HB       TRP 543  13.441  -0.430  -3.118
  244   2HB   TRP 543          1HB       TRP 543  13.841   0.774  -1.892
  245    HD1  TRP 543           HD1      TRP 543  13.260  -2.919  -2.081
  246    HE1  TRP 543           HE1      TRP 543  12.804  -3.872   0.199
  247    HE3  TRP 543           HE3      TRP 543  11.968   1.350   0.469
  248    HZ2  TRP 543           HZ2      TRP 543  11.850  -3.025   2.805
  249    HZ3  TRP 543           HZ3      TRP 543  11.270   1.210   2.845
  250    HH2  TRP 543           HH2      TRP 543  11.196  -0.989   4.002
  251    H    GLU 544           H        GLU 544   9.774   1.421  -3.556
  252    HA   GLU 544           HA       GLU 544  10.257   3.355  -5.457
  253   1HB   GLU 544          2HB       GLU 544  11.714   1.566  -6.548
  254   2HB   GLU 544          1HB       GLU 544  10.253   0.601  -6.723
  255   1HG   GLU 544          2HG       GLU 544   9.262   2.131  -8.210
  256   2HG   GLU 544          1HG       GLU 544  10.370   3.427  -7.753
  257    H    THR 545           H        THR 545   8.184   3.823  -4.572
  258    HA   THR 545           HA       THR 545   6.146   1.988  -4.138
  259    HB   THR 545           HB       THR 545   4.577   3.821  -4.143
  260    HG1  THR 545           HG1      THR 545   6.401   5.413  -5.583
  261   1HG2  THR 545          2HG2      THR 545   6.678   3.964  -2.607
  262   2HG2  THR 545          1HG2      THR 545   7.111   5.339  -3.620
  263   3HG2  THR 545          3HG2      THR 545   5.600   5.351  -2.709
  264    H    SER 546           H        SER 546   7.479   2.837  -7.203
  265    HA   SER 546           HA       SER 546   5.290   2.830  -8.947
  266   1HB   SER 546          2HB       SER 546   7.780   3.040  -9.522
  267   2HB   SER 546          1HB       SER 546   7.831   1.280  -9.489
  268    HG   SER 546           HG       SER 546   6.875   1.262 -11.356
  269    H    ASP 547           H        ASP 547   6.427   0.284  -6.912
  270    HA   ASP 547           HA       ASP 547   4.347  -1.488  -8.050
  271   1HB   ASP 547          2HB       ASP 547   7.206  -2.313  -7.479
  272   2HB   ASP 547          1HB       ASP 547   5.901  -3.417  -7.914
  273    H    GLY 548           H        GLY 548   4.376   0.072  -5.523
  274   1HA   GLY 548          2HA       GLY 548   4.767  -2.002  -3.458
  275   2HA   GLY 548          1HA       GLY 548   4.328  -0.311  -3.164
  276    H    ILE 549           H        ILE 549   2.249  -0.071  -2.526
  277    HA   ILE 549           HA       ILE 549   0.165  -1.444  -4.016
  278    HB   ILE 549           HB       ILE 549  -0.127  -1.815  -1.067
  279   1HG1  ILE 549          2HG1      ILE 549   1.262  -3.847  -2.794
  280   2HG1  ILE 549          1HG1      ILE 549   2.173  -2.682  -1.849
  281   1HG2  ILE 549          2HG2      ILE 549  -1.064  -3.160  -3.586
  282   2HG2  ILE 549          1HG2      ILE 549  -1.152  -3.991  -2.029
  283   3HG2  ILE 549          3HG2      ILE 549  -2.030  -2.476  -2.277
  284   1HD1  ILE 549          1HD1      ILE 549   0.299  -3.659  -0.043
  285   2HD1  ILE 549          3HD1      ILE 549   0.783  -5.085  -0.961
  286   3HD1  ILE 549          2HD1      ILE 549   1.998  -4.123  -0.119
  287    H    ALA 550           H        ALA 550  -0.621   0.444  -4.634
  288    HA   ALA 550           HA       ALA 550  -1.085   2.730  -2.999
  289   1HB   ALA 550          1HB       ALA 550  -1.229   2.103  -5.683
  290   2HB   ALA 550          3HB       ALA 550  -2.907   2.438  -5.255
  291   3HB   ALA 550          2HB       ALA 550  -1.664   3.652  -4.963
  292    H    LEU 551           H        LEU 551  -3.112   3.641  -2.381
  293    HA   LEU 551           HA       LEU 551  -5.432   1.747  -2.028
  294   1HB   LEU 551          2HB       LEU 551  -4.195   3.622   0.013
  295   2HB   LEU 551          1HB       LEU 551  -5.760   2.849   0.226
  296    HG   LEU 551           HG       LEU 551  -4.360   0.673  -0.296
  297   1HD1  LEU 551          2HD1      LEU 551  -2.260   1.909  -0.734
  298   2HD1  LEU 551          1HD1      LEU 551  -2.281   2.475   0.936
  299   3HD1  LEU 551          3HD1      LEU 551  -2.103   0.756   0.590
  300   1HD2  LEU 551          1HD2      LEU 551  -5.609   1.205   1.796
  301   2HD2  LEU 551          3HD2      LEU 551  -4.101   0.349   2.115
  302   3HD2  LEU 551          2HD2      LEU 551  -4.197   2.091   2.373
  303    H    SER 552           H        SER 552  -7.475   2.776  -2.277
  304    HA   SER 552           HA       SER 552  -7.389   5.726  -2.878
  305   1HB   SER 552          2HB       SER 552  -7.368   3.992  -4.910
  306   2HB   SER 552          1HB       SER 552  -9.101   4.074  -4.597
  307    HG   SER 552           HG       SER 552  -8.641   5.703  -6.006
  308    H    ALA 553           H        ALA 553  -9.929   6.189  -3.775
  309    HA   ALA 553           HA       ALA 553 -11.731   5.407  -1.502
  310   1HB   ALA 553          1HB       ALA 553 -11.544   8.026  -3.044
  311   2HB   ALA 553          3HB       ALA 553 -12.923   7.639  -2.015
  312   3HB   ALA 553          2HB       ALA 553 -11.307   7.781  -1.325
  313    H    ASP 554           H        ASP 554 -12.619   3.585  -2.852
  314    HA   ASP 554           HA       ASP 554 -13.931   4.286  -5.384
  315   1HB   ASP 554          2HB       ASP 554 -14.858   2.022  -5.327
  316   2HB   ASP 554          1HB       ASP 554 -13.145   1.951  -4.933
  317    H    LYS 555           H        LYS 555 -14.694   4.072  -2.006
  318    HA   LYS 555           HA       LYS 555 -17.536   4.825  -2.540
  319   1HB   LYS 555          2HB       LYS 555 -16.893   4.301   0.255
  320   2HB   LYS 555          1HB       LYS 555 -18.097   3.518  -0.767
  321   1HG   LYS 555          2HG       LYS 555 -16.313   2.089  -1.744
  322   2HG   LYS 555          1HG       LYS 555 -15.141   2.844  -0.666
  323   1HD   LYS 555          2HD       LYS 555 -16.500   2.065   1.283
  324   2HD   LYS 555          1HD       LYS 555 -17.552   1.205   0.157
  325   1HE   LYS 555          2HE       LYS 555 -14.912   0.486  -0.553
  326   2HE   LYS 555          1HE       LYS 555 -14.984   0.396   1.208
  327   1HZ   LYS 555          1HZ       LYS 555 -17.221  -0.799   0.735
  328   2HZ   LYS 555          3HZ       LYS 555 -16.542  -1.089  -0.792
  329   3HZ   LYS 555          2HZ       LYS 555 -15.761  -1.658   0.605
  330    H    TYR 556           H        TYR 556 -14.738   5.520  -0.472
  331    HA   TYR 556           HA       TYR 556 -15.616   7.909   0.736
  332   1HB   TYR 556          2HB       TYR 556 -13.057   6.527   0.204
  333   2HB   TYR 556          1HB       TYR 556 -12.974   8.223   0.530
  334    HD1  TYR 556           HD2      TYR 556 -15.627   6.184   1.860
  335    HD2  TYR 556           HD1      TYR 556 -11.797   7.976   2.733
  336    HE1  TYR 556           HE2      TYR 556 -15.960   5.739   4.247
  337    HE2  TYR 556           HE1      TYR 556 -12.158   7.567   5.134
  338    HH   TYR 556           HH       TYR 556 -14.428   5.445   6.324
  339    H    THR 557           H        THR 557 -12.958   9.315  -0.486
  340    HA   THR 557           HA       THR 557 -14.414  11.149  -2.191
  341    HB   THR 557           HB       THR 557 -11.467  11.256  -2.393
  342    HG1  THR 557           HG1      THR 557 -11.510  12.092  -0.141
  343   1HG2  THR 557          2HG2      THR 557 -13.738  13.002  -2.204
  344   2HG2  THR 557          1HG2      THR 557 -12.556  13.441  -0.977
  345   3HG2  THR 557          3HG2      THR 557 -12.087  13.396  -2.669
  346    H    SER 558           H        SER 558 -12.245  11.585  -4.089
  347    HA   SER 558           HA       SER 558 -12.715   9.275  -5.898
  348   1HB   SER 558          2HB       SER 558 -13.057  11.086  -7.287
  349   2HB   SER 558          1HB       SER 558 -12.014  12.146  -6.341
  350    HG   SER 558           HG       SER 558 -10.890  11.702  -8.164
  351    H    SER 559           H        SER 559 -10.364  11.030  -4.016
  352    HA   SER 559           HA       SER 559  -8.155   9.517  -5.220
  353   1HB   SER 559          2HB       SER 559  -7.434  11.652  -4.685
  354   2HB   SER 559          1HB       SER 559  -8.368  11.722  -3.195
  355    HG   SER 559           HG       SER 559  -6.916  10.283  -2.276
  356    H    ASP 560           H        ASP 560  -8.901  10.064  -1.734
  357    HA   ASP 560           HA       ASP 560  -9.455   7.300  -1.148
  358   1HB   ASP 560          2HB       ASP 560  -7.115   7.246  -2.219
  359   2HB   ASP 560          1HB       ASP 560  -6.565   7.993  -0.742
  360    HA   PRO 561           HA       PRO 561  -8.812  10.072   2.652
  361   1HB   PRO 561          2HB       PRO 561 -11.410  10.087   3.618
  362   2HB   PRO 561          1HB       PRO 561 -10.687  11.334   2.593
  363   1HG   PRO 561          2HG       PRO 561 -12.699   9.324   1.871
  364   2HG   PRO 561          1HG       PRO 561 -12.241  10.775   1.024
  365   1HD   PRO 561          2HD       PRO 561 -11.410   8.075   0.393
  366   2HD   PRO 561          1HD       PRO 561 -10.950   9.555  -0.451
  367    H    LEU 562           H        LEU 562 -10.543   6.976   2.459
  368    HA   LEU 562           HA       LEU 562  -9.640   6.406   5.247
  369   1HB   LEU 562          2HB       LEU 562 -10.876   4.166   4.968
  370   2HB   LEU 562          1HB       LEU 562 -11.840   5.582   5.265
  371    HG   LEU 562           HG       LEU 562 -12.988   5.284   3.316
  372   1HD1  LEU 562          1HD1      LEU 562 -10.281   5.260   2.152
  373   2HD1  LEU 562          3HD1      LEU 562 -11.445   4.296   1.265
  374   3HD1  LEU 562          2HD1      LEU 562 -11.746   6.008   1.551
  375   1HD2  LEU 562          3HD2      LEU 562 -11.585   2.761   3.894
  376   2HD2  LEU 562          2HD2      LEU 562 -13.307   3.075   3.675
  377   3HD2  LEU 562          1HD2      LEU 562 -12.260   2.878   2.268
  378    H    TRP 563           H        TRP 563  -8.650   6.162   2.156
  379    HA   TRP 563           HA       TRP 563  -7.154   4.732   1.088
  380   1HB   TRP 563          2HB       TRP 563  -5.953   4.658   3.792
  381   2HB   TRP 563          1HB       TRP 563  -5.155   4.658   2.240
  382    HD1  TRP 563           HD1      TRP 563  -7.082   6.945   4.588
  383    HE1  TRP 563           HE1      TRP 563  -6.548   9.422   4.064
  384    HE3  TRP 563           HE3      TRP 563  -4.645   6.346   0.158
  385    HZ2  TRP 563           HZ2      TRP 563  -5.295  10.912   1.933
  386    HZ3  TRP 563           HZ3      TRP 563  -3.899   8.319  -1.104
  387    HH2  TRP 563           HH2      TRP 563  -4.200  10.585  -0.232
  388    H    TYR 564           H        TYR 564  -8.666   3.027   0.698
  389    HA   TYR 564           HA       TYR 564  -8.179   0.636   2.442
  390   1HB   TYR 564          2HB       TYR 564 -10.223  -0.288   1.596
  391   2HB   TYR 564          1HB       TYR 564 -10.573   1.405   1.939
  392    HD1  TYR 564           HD1      TYR 564  -8.647   2.069  -0.592
  393    HD2  TYR 564           HD2      TYR 564 -12.244  -0.141  -0.003
  394    HE1  TYR 564           HE1      TYR 564  -9.153   2.440  -2.870
  395    HE2  TYR 564           HE2      TYR 564 -12.817   0.215  -2.397
  396    HH   TYR 564           HH       TYR 564 -10.607   1.173  -4.670
  397    H    VAL 565           H        VAL 565  -8.386  -1.518   0.812
  398    HA   VAL 565           HA       VAL 565  -7.472  -1.274  -1.840
  399    HB   VAL 565           HB       VAL 565  -5.480  -0.239  -1.252
  400   1HG1  VAL 565          1HG1      VAL 565  -5.788  -0.565   1.199
  401   2HG1  VAL 565          3HG1      VAL 565  -5.217  -2.216   1.024
  402   3HG1  VAL 565          2HG1      VAL 565  -4.132  -0.875   0.689
  403   1HG2  VAL 565          1HG2      VAL 565  -4.869  -3.211  -1.252
  404   2HG2  VAL 565          3HG2      VAL 565  -4.978  -2.167  -2.670
  405   3HG2  VAL 565          2HG2      VAL 565  -3.676  -1.937  -1.504
  406    H    THR 566           H        THR 566  -6.669  -3.164  -2.787
  407    HA   THR 566           HA       THR 566  -6.468  -5.674  -1.301
  408    HB   THR 566           HB       THR 566  -8.756  -5.314  -3.269
  409    HG1  THR 566           HG1      THR 566  -9.897  -5.901  -1.201
  410   1HG2  THR 566          1HG2      THR 566  -7.316  -7.612  -2.422
  411   2HG2  THR 566          3HG2      THR 566  -8.886  -7.665  -1.619
  412   3HG2  THR 566          2HG2      THR 566  -8.799  -7.560  -3.376
  413    H    VAL 567           H        VAL 567  -4.404  -5.690  -2.349
  414    HA   VAL 567           HA       VAL 567  -4.523  -5.962  -5.334
  415    HB   VAL 567           HB       VAL 567  -2.036  -5.302  -3.760
  416   1HG1  VAL 567          1HG1      VAL 567  -2.919  -5.328  -6.597
  417   2HG1  VAL 567          3HG1      VAL 567  -1.904  -3.968  -6.118
  418   3HG1  VAL 567          2HG1      VAL 567  -1.318  -5.618  -5.914
  419   1HG2  VAL 567          2HG2      VAL 567  -4.325  -3.517  -4.565
  420   2HG2  VAL 567          1HG2      VAL 567  -3.423  -3.545  -3.049
  421   3HG2  VAL 567          3HG2      VAL 567  -2.682  -2.879  -4.504
  422    H    THR 568           H        THR 568  -2.503  -7.328  -6.119
  423    HA   THR 568           HA       THR 568  -2.216  -9.690  -4.313
  424    HB   THR 568           HB       THR 568  -2.084 -10.921  -6.664
  425    HG1  THR 568           HG1      THR 568  -3.271  -9.930  -8.199
  426   1HG2  THR 568          2HG2      THR 568  -3.738 -11.241  -4.769
  427   2HG2  THR 568          1HG2      THR 568  -4.758 -10.038  -5.559
  428   3HG2  THR 568          3HG2      THR 568  -4.382 -11.552  -6.382
  429    H    LEU 569           H        LEU 569  -0.144 -10.488  -4.139
  430    HA   LEU 569           HA       LEU 569   1.939  -9.216  -5.856
  431   1HB   LEU 569          2HB       LEU 569   2.256  -8.543  -3.561
  432   2HB   LEU 569          1HB       LEU 569   2.063 -10.205  -2.986
  433    HG   LEU 569           HG       LEU 569   4.110 -10.273  -4.946
  434   1HD1  LEU 569          2HD1      LEU 569   4.064  -7.735  -3.456
  435   2HD1  LEU 569          1HD1      LEU 569   5.580  -8.613  -3.301
  436   3HD1  LEU 569          3HD1      LEU 569   4.981  -8.174  -4.894
  437   1HD2  LEU 569          2HD2      LEU 569   4.116 -10.394  -1.918
  438   2HD2  LEU 569          1HD2      LEU 569   4.015 -11.751  -3.037
  439   3HD2  LEU 569          3HD2      LEU 569   5.509 -10.820  -2.915
  440    HA   PRO 570           HA       PRO 570   2.441 -13.468  -7.189
  441   1HB   PRO 570          2HB       PRO 570   4.322 -12.901  -9.111
  442   2HB   PRO 570          1HB       PRO 570   2.580 -12.681  -9.347
  443   1HG   PRO 570          2HG       PRO 570   4.687 -10.621  -8.870
  444   2HG   PRO 570          1HG       PRO 570   3.146 -10.472  -9.731
  445   1HD   PRO 570          2HD       PRO 570   3.651  -9.567  -7.109
  446   2HD   PRO 570          1HD       PRO 570   2.047  -9.774  -7.841
  447    H    ALA 571           H        ALA 571   3.513 -13.837  -5.012
  448    HA   ALA 571           HA       ALA 571   6.303 -14.618  -5.409
  449   1HB   ALA 571          1HB       ALA 571   6.100 -12.075  -4.642
  450   2HB   ALA 571          3HB       ALA 571   5.888 -12.818  -3.058
  451   3HB   ALA 571          2HB       ALA 571   7.356 -13.126  -3.988
  452    H    GLY 572           H        GLY 572   7.076 -15.208  -2.869
  453   1HA   GLY 572          2HA       GLY 572   4.981 -16.245  -1.181
  454   2HA   GLY 572          1HA       GLY 572   5.651 -17.531  -2.184
  455    H    GLU 573           H        GLU 573   6.882 -14.819  -0.190
  456    HA   GLU 573           HA       GLU 573   8.472 -16.638   1.436
  457   1HB   GLU 573          2HB       GLU 573   9.649 -15.767  -0.952
  458   2HB   GLU 573          1HB       GLU 573  10.328 -14.711   0.288
  459   1HG   GLU 573          2HG       GLU 573  10.244 -17.387   1.315
  460   2HG   GLU 573          1HG       GLU 573  11.023 -17.415  -0.267
  461    H    SER 574           H        SER 574  10.378 -14.660   2.278
  462    HA   SER 574           HA       SER 574   8.630 -12.982   3.963
  463   1HB   SER 574          2HB       SER 574  11.663 -12.994   3.734
  464   2HB   SER 574          1HB       SER 574  10.710 -12.271   5.026
  465    HG   SER 574           HG       SER 574  11.624 -14.468   5.363
  466    H    PHE 575           H        PHE 575   8.191 -10.952   3.670
  467    HA   PHE 575           HA       PHE 575   9.565  -9.427   1.479
  468   1HB   PHE 575          2HB       PHE 575   6.606  -9.738   2.056
  469   2HB   PHE 575          1HB       PHE 575   7.290  -8.605   0.902
  470    HD1  PHE 575           HD1      PHE 575   9.546 -10.282  -0.178
  471    HD2  PHE 575           HD2      PHE 575   5.454 -11.271   0.665
  472    HE1  PHE 575           HE1      PHE 575   9.657 -12.134  -1.819
  473    HE2  PHE 575           HE2      PHE 575   5.563 -13.122  -0.982
  474    HZ   PHE 575           HZ       PHE 575   7.667 -13.555  -2.218
  475    H    GLU 576           H        GLU 576   9.966  -7.298   2.125
  476    HA   GLU 576           HA       GLU 576   9.300  -6.560   4.890
  477   1HB   GLU 576          2HB       GLU 576  11.064  -5.562   2.864
  478   2HB   GLU 576          1HB       GLU 576  10.257  -4.265   3.730
  479   1HG   GLU 576          2HG       GLU 576  12.289  -4.811   4.920
  480   2HG   GLU 576          1HG       GLU 576  10.944  -5.459   5.860
  481    H    TYR 577           H        TYR 577   8.056  -4.554   5.359
  482    HA   TYR 577           HA       TYR 577   6.165  -3.908   3.191
  483   1HB   TYR 577          2HB       TYR 577   5.530  -5.400   5.659
  484   2HB   TYR 577          1HB       TYR 577   4.385  -4.136   5.199
  485    HD1  TYR 577           HD1      TYR 577   6.146  -7.236   3.899
  486    HD2  TYR 577           HD2      TYR 577   2.960  -4.363   3.350
  487    HE1  TYR 577           HE1      TYR 577   5.197  -8.591   2.061
  488    HE2  TYR 577           HE2      TYR 577   2.031  -5.752   1.525
  489    HH   TYR 577           HH       TYR 577   2.084  -7.948   0.677
  490    H    LYS 578           H        LYS 578   7.559  -1.989   3.352
  491    HA   LYS 578           HA       LYS 578   7.112  -0.231   5.662
  492   1HB   LYS 578          2HB       LYS 578   8.717  -0.127   3.142
  493   2HB   LYS 578          1HB       LYS 578   8.232   1.410   3.856
  494   1HG   LYS 578          2HG       LYS 578   9.733  -0.814   5.272
  495   2HG   LYS 578          1HG       LYS 578  10.419   0.721   4.737
  496   1HD   LYS 578          2HD       LYS 578   8.577   1.820   6.187
  497   2HD   LYS 578          1HD       LYS 578   8.407   0.229   6.930
  498   1HE   LYS 578          2HE       LYS 578  11.101   1.565   6.673
  499   2HE   LYS 578          1HE       LYS 578  10.045   1.878   8.050
  500   1HZ   LYS 578          3HZ       LYS 578   9.938  -0.727   8.071
  501   2HZ   LYS 578          2HZ       LYS 578  11.441  -0.581   7.293
  502   3HZ   LYS 578          1HZ       LYS 578  11.207   0.104   8.830
  503    H    PHE 579           H        PHE 579   5.846   1.726   5.497
  504    HA   PHE 579           HA       PHE 579   3.856   1.574   3.254
  505   1HB   PHE 579          2HB       PHE 579   2.994   1.143   5.587
  506   2HB   PHE 579          1HB       PHE 579   3.468   2.793   6.005
  507    HD1  PHE 579           HD2      PHE 579   2.711   4.621   4.273
  508    HD2  PHE 579           HD1      PHE 579   0.829   0.812   4.780
  509    HE1  PHE 579           HE2      PHE 579   0.703   5.493   3.207
  510    HE2  PHE 579           HE1      PHE 579  -1.216   1.692   3.683
  511    HZ   PHE 579           HZ       PHE 579  -1.240   4.045   2.898
  512    H    ILE 580           H        ILE 580   3.300   3.338   2.185
  513    HA   ILE 580           HA       ILE 580   4.726   5.820   2.859
  514    HB   ILE 580           HB       ILE 580   5.372   6.135   0.569
  515   1HG1  ILE 580          2HG1      ILE 580   3.211   4.169   0.217
  516   2HG1  ILE 580          1HG1      ILE 580   3.715   5.514  -0.832
  517   1HG2  ILE 580          3HG2      ILE 580   5.782   3.249   1.411
  518   2HG2  ILE 580          2HG2      ILE 580   6.669   4.032   0.103
  519   3HG2  ILE 580          1HG2      ILE 580   6.851   4.606   1.763
  520   1HD1  ILE 580          1HD1      ILE 580   5.774   3.719  -1.124
  521   2HD1  ILE 580          3HD1      ILE 580   4.372   2.665  -0.959
  522   3HD1  ILE 580          2HD1      ILE 580   4.407   3.887  -2.224
  523    H    ARG 581           H        ARG 581   3.489   7.684   2.657
  524    HA   ARG 581           HA       ARG 581   0.705   7.165   1.704
  525   1HB   ARG 581          2HB       ARG 581   0.570   7.729   4.003
  526   2HB   ARG 581          1HB       ARG 581   1.787   8.987   3.847
  527   1HG   ARG 581          2HG       ARG 581  -0.425   9.518   2.058
  528   2HG   ARG 581          1HG       ARG 581  -1.008   9.304   3.705
  529   1HD   ARG 581          2HD       ARG 581   1.022  10.886   4.300
  530   2HD   ARG 581          1HD       ARG 581   0.852  11.380   2.617
  531    HE   ARG 581           HE       ARG 581  -1.682  11.672   3.365
  532   1HH1  ARG 581          2HH1      ARG 581   0.482  11.595   5.923
  533   2HH1  ARG 581          1HH1      ARG 581   0.084  13.162   6.539
  534   1HH2  ARG 581          1HH2      ARG 581  -1.923  14.008   3.846
  535   2HH2  ARG 581          2HH2      ARG 581  -1.274  14.527   5.366
  536    H    ILE 582           H        ILE 582   0.777   7.840  -0.443
  537    HA   ILE 582           HA       ILE 582   2.225  10.321  -1.052
  538    HB   ILE 582           HB       ILE 582   1.313   8.140  -2.647
  539   1HG1  ILE 582          2HG1      ILE 582   3.482   9.212  -2.813
  540   2HG1  ILE 582          1HG1      ILE 582   2.659   9.399  -4.367
  541   1HG2  ILE 582          3HG2      ILE 582  -0.078  10.740  -3.272
  542   2HG2  ILE 582          2HG2      ILE 582   0.535   9.768  -4.600
  543   3HG2  ILE 582          1HG2      ILE 582  -0.647   9.092  -3.498
  544   1HD1  ILE 582          2HD1      ILE 582   1.727  11.600  -3.346
  545   2HD1  ILE 582          1HD1      ILE 582   3.049  11.430  -2.193
  546   3HD1  ILE 582          3HD1      ILE 582   3.407  11.593  -3.910
  547    H    GLU 583           H        GLU 583   1.435  12.327  -0.926
  548    HA   GLU 583           HA       GLU 583  -1.396  12.668  -0.146
  549   1HB   GLU 583          2HB       GLU 583   0.804  13.787   0.862
  550   2HB   GLU 583          1HB       GLU 583   0.484  14.974  -0.402
  551   1HG   GLU 583          2HG       GLU 583  -1.420  15.738   0.608
  552   2HG   GLU 583          1HG       GLU 583  -1.863  14.140   1.212
  553    H    SER 584           H        SER 584  -2.070  15.119  -1.007
  554    HA   SER 584           HA       SER 584  -2.520  14.706  -3.880
  555   1HB   SER 584          2HB       SER 584  -4.378  15.465  -2.476
  556   2HB   SER 584          1HB       SER 584  -3.455  16.879  -1.980
  557    HG   SER 584           HG       SER 584  -4.970  17.207  -3.751
  558    H    ASP 585           H        ASP 585  -0.180  16.252  -2.005
  559    HA   ASP 585           HA       ASP 585   0.316  18.396  -3.949
  560   1HB   ASP 585          2HB       ASP 585   2.436  18.389  -2.231
  561   2HB   ASP 585          1HB       ASP 585   0.992  19.355  -2.001
  562    H    ASP 586           H        ASP 586   0.613  15.348  -4.362
  563    HA   ASP 586           HA       ASP 586   2.139  13.918  -5.460
  564   1HB   ASP 586          2HB       ASP 586   1.910  15.773  -7.142
  565   2HB   ASP 586          1HB       ASP 586   3.329  16.536  -6.424
  566    H    SER 587           H        SER 587   2.984  13.494  -3.219
  567    HA   SER 587           HA       SER 587   5.883  13.697  -3.145
  568   1HB   SER 587          2HB       SER 587   4.695  15.939  -2.253
  569   2HB   SER 587          1HB       SER 587   4.615  14.965  -0.790
  570    HG   SER 587           HG       SER 587   6.613  15.622  -0.562
  571    H    VAL 588           H        VAL 588   6.147  11.543  -2.467
  572    HA   VAL 588           HA       VAL 588   4.152  10.367  -0.695
  573    HB   VAL 588           HB       VAL 588   6.731   8.967  -1.029
  574   1HG1  VAL 588          3HG1      VAL 588   3.788   8.321  -1.222
  575   2HG1  VAL 588          2HG1      VAL 588   5.055   7.126  -1.542
  576   3HG1  VAL 588          1HG1      VAL 588   4.911   7.855   0.059
  577   1HG2  VAL 588          3HG2      VAL 588   5.254  10.061  -3.298
  578   2HG2  VAL 588          2HG2      VAL 588   6.847   9.305  -3.236
  579   3HG2  VAL 588          1HG2      VAL 588   5.404   8.305  -3.346
  580    H    GLU 589           H        GLU 589   4.165  10.532   1.436
  581    HA   GLU 589           HA       GLU 589   6.663  11.267   2.861
  582   1HB   GLU 589          2HB       GLU 589   5.143  11.343   4.856
  583   2HB   GLU 589          1HB       GLU 589   4.593  12.425   3.572
  584   1HG   GLU 589          2HG       GLU 589   2.662  11.291   3.387
  585   2HG   GLU 589          1HG       GLU 589   3.537   9.760   3.200
  586    H    TRP 590           H        TRP 590   7.375   9.039   1.977
  587    HA   TRP 590           HA       TRP 590   6.329   6.589   2.530
  588   1HB   TRP 590          2HB       TRP 590   9.139   7.571   2.499
  589   2HB   TRP 590          1HB       TRP 590   8.835   5.924   3.060
  590    HD1  TRP 590           HD1      TRP 590   6.827   7.736   0.359
  591    HE1  TRP 590           HE1      TRP 590   7.011   6.421  -1.842
  592    HE3  TRP 590           HE3      TRP 590  10.188   4.168   1.761
  593    HZ2  TRP 590           HZ2      TRP 590   8.497   4.173  -2.887
  594    HZ3  TRP 590           HZ3      TRP 590  10.903   2.452   0.126
  595    HH2  TRP 590           HH2      TRP 590  10.105   2.449  -2.159
  596    H    GLU 591           H        GLU 591   5.073   6.615   4.475
  597    HA   GLU 591           HA       GLU 591   6.074   7.268   7.042
  598   1HB   GLU 591          2HB       GLU 591   3.685   6.873   6.578
  599   2HB   GLU 591          1HB       GLU 591   4.021   5.161   6.320
  600   1HG   GLU 591          2HG       GLU 591   5.198   5.597   8.756
  601   2HG   GLU 591          1HG       GLU 591   3.809   6.680   8.837
  602    H    SER 592           H        SER 592   8.127   6.457   7.273
  603    HA   SER 592           HA       SER 592   8.441   3.512   7.104
  604   1HB   SER 592          2HB       SER 592   9.870   5.027   5.661
  605   2HB   SER 592          1HB       SER 592  10.585   5.656   7.150
  606    HG   SER 592           HG       SER 592  11.587   3.740   5.979
  607    H    ASP 593           H        ASP 593   7.363   5.370   9.314
  608    HA   ASP 593           HA       ASP 593   9.274   5.101  11.497
  609   1HB   ASP 593          2HB       ASP 593   6.695   6.355  11.076
  610   2HB   ASP 593          1HB       ASP 593   6.685   5.422  12.573
  611    HA   PRO 594           HA       PRO 594   6.444   1.473  12.764
  612   1HB   PRO 594          2HB       PRO 594   4.301   0.882  11.140
  613   2HB   PRO 594          1HB       PRO 594   4.200   1.983  12.525
  614   1HG   PRO 594          2HG       PRO 594   4.305   2.634   9.606
  615   2HG   PRO 594          1HG       PRO 594   3.516   3.517  10.925
  616   1HD   PRO 594          2HD       PRO 594   5.956   4.238   9.761
  617   2HD   PRO 594          1HD       PRO 594   5.381   4.776  11.357
  618    H    ASN 595           H        ASN 595   5.574  -0.748  11.289
  619    HA   ASN 595           HA       ASN 595   6.886  -1.067   8.761
  620   1HB   ASN 595          2HB       ASN 595   8.831  -2.385   9.413
  621   2HB   ASN 595          1HB       ASN 595   8.913  -0.805  10.191
  622   1HD2  ASN 595          2HD2      ASN 595   9.227  -3.897  12.570
  623   2HD2  ASN 595          1HD2      ASN 595   9.727  -3.799  10.950
  624    H    ARG 596           H        ARG 596   6.640  -3.198   7.916
  625    HA   ARG 596           HA       ARG 596   5.248  -5.168   9.660
  626   1HB   ARG 596          2HB       ARG 596   4.116  -3.717   7.359
  627   2HB   ARG 596          1HB       ARG 596   3.935  -5.468   7.256
  628   1HG   ARG 596          2HG       ARG 596   3.322  -4.151   9.869
  629   2HG   ARG 596          1HG       ARG 596   2.154  -3.974   8.559
  630   1HD   ARG 596          2HD       ARG 596   1.458  -6.108   8.778
  631   2HD   ARG 596          1HD       ARG 596   3.114  -6.715   8.769
  632    HE   ARG 596           HE       ARG 596   2.493  -5.483  11.304
  633   1HH1  ARG 596          1HH2      ARG 596   3.280  -8.345   9.793
  634   2HH1  ARG 596          2HH2      ARG 596   2.487  -9.384  10.929
  635   1HH2  ARG 596          2HH1      ARG 596   0.904  -6.789  12.598
  636   2HH2  ARG 596          1HH1      ARG 596   1.141  -8.503  12.517
  637    H    GLU 597           H        GLU 597   5.316  -7.375   8.690
  638    HA   GLU 597           HA       GLU 597   7.342  -7.684   6.528
  639   1HB   GLU 597          2HB       GLU 597   8.387  -9.547   7.884
  640   2HB   GLU 597          1HB       GLU 597   8.645  -7.932   8.544
  641   1HG   GLU 597          2HG       GLU 597   7.579  -8.480  10.448
  642   2HG   GLU 597          1HG       GLU 597   6.164  -9.024   9.546
  643    H    TYR 598           H        TYR 598   5.464  -8.301   5.236
  644    HA   TYR 598           HA       TYR 598   3.746 -10.471   6.004
  645   1HB   TYR 598          2HB       TYR 598   3.552  -8.545   4.177
  646   2HB   TYR 598          1HB       TYR 598   4.255  -9.794   3.148
  647    HD1  TYR 598           HD1      TYR 598   3.162 -12.086   3.117
  648    HD2  TYR 598           HD2      TYR 598   1.282  -8.590   4.744
  649    HE1  TYR 598           HE1      TYR 598   0.967 -13.185   2.876
  650    HE2  TYR 598           HE2      TYR 598  -0.926  -9.694   4.554
  651    HH   TYR 598           HH       TYR 598  -1.390 -12.510   2.674
  652    H    THR 599           H        THR 599   4.721 -12.437   6.358
  653    HA   THR 599           HA       THR 599   6.858 -13.352   4.523
  654    HB   THR 599           HB       THR 599   6.604 -15.450   6.108
  655    HG1  THR 599           HG1      THR 599   4.628 -14.262   6.967
  656   1HG2  THR 599          1HG2      THR 599   8.007 -12.911   6.333
  657   2HG2  THR 599          3HG2      THR 599   7.740 -13.647   7.913
  658   3HG2  THR 599          2HG2      THR 599   8.592 -14.543   6.655
  659    H    VAL 600           H        VAL 600   5.195 -13.301   2.729
  660    HA   VAL 600           HA       VAL 600   2.927 -15.036   2.787
  661    HB   VAL 600           HB       VAL 600   4.272 -14.683   0.157
  662   1HG1  VAL 600          2HG1      VAL 600   1.696 -15.200   1.269
  663   2HG1  VAL 600          1HG1      VAL 600   1.627 -13.740   0.283
  664   3HG1  VAL 600          3HG1      VAL 600   2.197 -15.251  -0.425
  665   1HG2  VAL 600          1HG2      VAL 600   4.370 -12.423   1.616
  666   2HG2  VAL 600          3HG2      VAL 600   3.963 -12.419  -0.093
  667   3HG2  VAL 600          2HG2      VAL 600   2.681 -12.354   1.109
  668    HA   PRO 601           HA       PRO 601   5.389 -18.772   2.573
  669   1HB   PRO 601          2HB       PRO 601   3.282 -20.460   3.092
  670   2HB   PRO 601          1HB       PRO 601   4.161 -19.576   4.352
  671   1HG   PRO 601          2HG       PRO 601   1.446 -19.050   3.237
  672   2HG   PRO 601          1HG       PRO 601   2.101 -18.648   4.833
  673   1HD   PRO 601          2HD       PRO 601   1.788 -16.851   2.667
  674   2HD   PRO 601          1HD       PRO 601   2.730 -16.555   4.144
  675    H    GLN 602           H        GLN 602   5.761 -20.146   0.825
  676    HA   GLN 602           HA       GLN 602   4.053 -19.808  -1.542
  677   1HB   GLN 602          2HB       GLN 602   6.688 -20.033  -1.385
  678   2HB   GLN 602          1HB       GLN 602   6.327 -21.758  -1.439
  679   1HG   GLN 602          2HG       GLN 602   5.021 -21.420  -3.509
  680   2HG   GLN 602          1HG       GLN 602   5.399 -19.698  -3.462
  681   1HE2  GLN 602          2HE2      GLN 602   9.003 -20.479  -4.000
  682   2HE2  GLN 602          1HE2      GLN 602   8.103 -19.669  -2.810
  683    H    ALA 603           H        ALA 603   2.119 -20.884  -0.779
  684    HA   ALA 603           HA       ALA 603   2.292 -23.828  -1.083
  685   1HB   ALA 603          1HB       ALA 603   0.985 -22.455   1.287
  686   2HB   ALA 603          3HB       ALA 603   0.872 -24.178   0.925
  687   3HB   ALA 603          2HB       ALA 603   2.430 -23.464   1.343
  688    H    CYS 604           H        CYS 604  -0.116 -24.697  -1.029
  689    HA   CYS 604           HA       CYS 604  -1.551 -23.238  -3.084
  690   1HB   CYS 604          2HB       CYS 604  -2.646 -25.510  -1.415
  691   2HB   CYS 604          1HB       CYS 604  -3.095 -25.059  -3.059
  692    H    GLY 605           H        GLY 605  -1.443 -22.994   0.301
  693   1HA   GLY 605          2HA       GLY 605  -3.907 -21.317   0.244
  694   2HA   GLY 605          1HA       GLY 605  -3.703 -22.510   1.528
  695    H    THR 606           H        THR 606  -3.950 -20.129   2.569
  696    HA   THR 606           HA       THR 606  -2.898 -18.510   3.901
  697    HB   THR 606           HB       THR 606  -0.296 -19.978   3.626
  698    HG1  THR 606           HG1      THR 606  -1.348 -21.300   5.414
  699   1HG2  THR 606          2HG2      THR 606  -1.220 -17.939   5.233
  700   2HG2  THR 606          1HG2      THR 606  -1.427 -19.355   6.263
  701   3HG2  THR 606          3HG2      THR 606   0.162 -18.971   5.601
  702    H    SER 607           H        SER 607  -3.045 -17.929   1.159
  703    HA   SER 607           HA       SER 607  -0.443 -16.519   0.719
  704   1HB   SER 607          2HB       SER 607  -0.833 -16.732  -1.694
  705   2HB   SER 607          1HB       SER 607  -0.835 -18.324  -0.941
  706    HG   SER 607           HG       SER 607  -2.843 -16.958  -2.205
  707    H    THR 608           H        THR 608  -3.044 -15.704   2.061
  708    HA   THR 608           HA       THR 608  -3.216 -13.057   0.801
  709    HB   THR 608           HB       THR 608  -5.391 -13.152  -0.021
  710    HG1  THR 608           HG1      THR 608  -6.965 -14.305   0.920
  711   1HG2  THR 608          3HG2      THR 608  -4.429 -16.016  -0.197
  712   2HG2  THR 608          2HG2      THR 608  -5.827 -15.400  -1.075
  713   3HG2  THR 608          1HG2      THR 608  -4.225 -14.744  -1.402
  714    H    ALA 609           H        ALA 609  -3.180 -11.744   2.552
  715    HA   ALA 609           HA       ALA 609  -4.946 -12.513   4.854
  716   1HB   ALA 609          1HB       ALA 609  -2.458 -13.187   5.194
  717   2HB   ALA 609          3HB       ALA 609  -2.191 -11.461   5.434
  718   3HB   ALA 609          2HB       ALA 609  -3.289 -12.340   6.498
  719    H    THR 610           H        THR 610  -4.288 -10.474   6.609
  720    HA   THR 610           HA       THR 610  -5.286  -8.103   5.098
  721    HB   THR 610           HB       THR 610  -6.034  -7.268   7.270
  722    HG1  THR 610           HG1      THR 610  -5.004  -9.662   8.366
  723   1HG2  THR 610          3HG2      THR 610  -6.840  -9.827   6.148
  724   2HG2  THR 610          2HG2      THR 610  -7.174  -9.746   7.878
  725   3HG2  THR 610          1HG2      THR 610  -7.841  -8.526   6.793
  726    H    VAL 611           H        VAL 611  -4.586  -5.992   6.035
  727    HA   VAL 611           HA       VAL 611  -1.831  -5.849   7.057
  728    HB   VAL 611           HB       VAL 611  -2.293  -4.484   4.459
  729   1HG1  VAL 611          2HG1      VAL 611  -0.039  -5.456   6.046
  730   2HG1  VAL 611          1HG1      VAL 611   0.093  -5.906   4.331
  731   3HG1  VAL 611          3HG1      VAL 611  -0.057  -4.200   4.805
  732   1HG2  VAL 611          3HG2      VAL 611  -3.187  -6.786   4.094
  733   2HG2  VAL 611          2HG2      VAL 611  -1.805  -6.362   3.073
  734   3HG2  VAL 611          1HG2      VAL 611  -1.573  -7.395   4.499
  735    H    THR 612           H        THR 612  -3.704  -4.801   8.518
  736    HA   THR 612           HA       THR 612  -4.616  -2.185   7.520
  737    HB   THR 612           HB       THR 612  -5.498  -2.262  10.069
  738    HG1  THR 612           HG1      THR 612  -6.217  -4.705   9.844
  739   1HG2  THR 612          1HG2      THR 612  -6.621  -3.392   7.526
  740   2HG2  THR 612          3HG2      THR 612  -7.568  -3.298   9.013
  741   3HG2  THR 612          2HG2      THR 612  -6.927  -1.826   8.279
  742    H    ASP 613           H        ASP 613  -4.302  -0.230   8.468
  743    HA   ASP 613           HA       ASP 613  -2.694   0.119  10.802
  744   1HB   ASP 613          2HB       ASP 613  -1.447   0.473   8.099
  745   2HB   ASP 613          1HB       ASP 613  -0.974   1.567   9.399
  746    H    THR 614           H        THR 614  -1.902   2.766  10.493
  747    HA   THR 614           HA       THR 614  -3.932   4.377   9.194
  748    HB   THR 614           HB       THR 614  -5.510   4.250  10.794
  749    HG1  THR 614           HG1      THR 614  -3.822   5.486  12.647
  750   1HG2  THR 614          1HG2      THR 614  -3.326   2.940  12.353
  751   2HG2  THR 614          3HG2      THR 614  -4.725   3.547  13.241
  752   3HG2  THR 614          2HG2      THR 614  -4.943   2.351  11.963
  753    H    TRP 615           H        TRP 615  -3.679   6.623   9.631
  754    HA   TRP 615           HA       TRP 615  -0.831   7.211   9.775
  755   1HB   TRP 615          2HB       TRP 615  -3.156   8.275   8.468
  756   2HB   TRP 615          1HB       TRP 615  -2.295   9.567   9.312
  757    HD1  TRP 615           HD1      TRP 615  -1.134  10.545   7.245
  758    HE1  TRP 615           HE1      TRP 615   0.853   9.773   5.789
  759    HE3  TRP 615           HE3      TRP 615  -1.088   5.715   8.517
  760    HZ2  TRP 615           HZ2      TRP 615   2.267   7.347   5.265
  761    HZ3  TRP 615           HZ3      TRP 615   0.554   4.148   7.578
  762    HH2  TRP 615           HH2      TRP 615   2.202   4.948   5.969
  763    H    ARG 616           H        ARG 616   0.182   8.576  11.174
  764    HA   ARG 616           HA       ARG 616  -1.281   9.082  13.718
  765   1HB   ARG 616          2HB       ARG 616   1.173   8.051  13.347
  766   2HB   ARG 616          1HB       ARG 616   1.607   9.759  13.422
  767   1HG   ARG 616          2HG       ARG 616   0.020   9.759  15.530
  768   2HG   ARG 616          1HG       ARG 616   0.363   8.029  15.532
  769   1HD   ARG 616          2HD       ARG 616   2.396   8.393  16.422
  770   2HD   ARG 616          1HD       ARG 616   2.810   9.483  15.099
  771    HE   ARG 616           HE       ARG 616   1.117  10.892  16.898
  772   1HH1  ARG 616          1HH1      ARG 616   3.190   9.139  18.514
  773   2HH1  ARG 616          2HH1      ARG 616   4.372  10.357  18.858
  774   1HH2  ARG 616          1HH2      ARG 616   3.095  12.619  16.560
  775   2HH2  ARG 616          2HH2      ARG 616   4.318  12.328  17.752
   
  No H/Q in entry =         775
  Start of MODEL    2
    1   1H    CYS 509          1H        CYS 509  15.948  21.264   4.484
    2   2H    CYS 509          3H        CYS 509  16.914  21.077   5.865
    3   3H    CYS 509          2H        CYS 509  16.707  19.776   4.793
    4    HA   CYS 509           HA       CYS 509  14.782  19.153   5.696
    5   1HB   CYS 509          2HB       CYS 509  15.577  21.172   7.816
    6   2HB   CYS 509          1HB       CYS 509  14.546  19.760   8.050
    7    H    THR 510           H        THR 510  12.695  19.609   5.189
    8    HA   THR 510           HA       THR 510  11.751  22.423   5.482
    9    HB   THR 510           HB       THR 510  11.160  20.650   3.093
   10    HG1  THR 510           HG1      THR 510  12.799  22.954   3.296
   11   1HG2  THR 510          1HG2      THR 510   9.957  23.043   4.164
   12   2HG2  THR 510          3HG2      THR 510  10.669  23.385   2.587
   13   3HG2  THR 510          2HG2      THR 510   9.475  22.098   2.755
   14    H    THR 511           H        THR 511  10.653  19.103   4.693
   15    HA   THR 511           HA       THR 511   8.396  19.550   6.604
   16    HB   THR 511           HB       THR 511   7.477  17.664   4.774
   17    HG1  THR 511           HG1      THR 511   8.801  18.040   3.154
   18   1HG2  THR 511          1HG2      THR 511   7.034  20.618   5.154
   19   2HG2  THR 511          3HG2      THR 511   6.147  19.722   3.921
   20   3HG2  THR 511          2HG2      THR 511   5.988  19.277   5.621
   21    HA   PRO 512           HA       PRO 512  10.780  15.772   7.741
   22   1HB   PRO 512          2HB       PRO 512  11.105  16.493  10.374
   23   2HB   PRO 512          1HB       PRO 512  12.242  16.937   9.090
   24   1HG   PRO 512          2HG       PRO 512  10.230  18.639  10.486
   25   2HG   PRO 512          1HG       PRO 512  11.749  19.110   9.706
   26   1HD   PRO 512          2HD       PRO 512   9.159  19.418   8.608
   27   2HD   PRO 512          1HD       PRO 512  10.693  19.568   7.723
   28    H    THR 513           H        THR 513   7.787  17.069   8.270
   29    HA   THR 513           HA       THR 513   6.985  15.051  10.305
   30    HB   THR 513           HB       THR 513   4.799  16.323  10.262
   31    HG1  THR 513           HG1      THR 513   4.609  17.554   8.583
   32   1HG2  THR 513          2HG2      THR 513   7.435  17.341  11.133
   33   2HG2  THR 513          1HG2      THR 513   6.147  18.544  11.079
   34   3HG2  THR 513          3HG2      THR 513   5.958  17.094  12.064
   35    H    ALA 514           H        ALA 514   6.193  16.156   7.012
   36    HA   ALA 514           HA       ALA 514   4.273  13.993   6.592
   37   1HB   ALA 514          3HB       ALA 514   5.479  16.142   4.866
   38   2HB   ALA 514          2HB       ALA 514   4.567  14.822   4.135
   39   3HB   ALA 514          1HB       ALA 514   3.788  15.892   5.301
   40    H    VAL 515           H        VAL 515   4.889  11.919   6.152
   41    HA   VAL 515           HA       VAL 515   7.614  11.528   5.055
   42    HB   VAL 515           HB       VAL 515   5.865   9.865   6.794
   43   1HG1  VAL 515          1HG1      VAL 515   7.553   8.832   4.566
   44   2HG1  VAL 515          3HG1      VAL 515   7.863   8.106   6.146
   45   3HG1  VAL 515          2HG1      VAL 515   6.240   8.044   5.455
   46   1HG2  VAL 515          3HG2      VAL 515   8.581  11.046   6.721
   47   2HG2  VAL 515          2HG2      VAL 515   7.495  10.810   8.084
   48   3HG2  VAL 515          1HG2      VAL 515   8.462   9.461   7.482
   49    H    ALA 516           H        ALA 516   7.688  11.247   2.918
   50    HA   ALA 516           HA       ALA 516   5.333  10.047   1.543
   51   1HB   ALA 516          3HB       ALA 516   7.800  11.404   0.403
   52   2HB   ALA 516          2HB       ALA 516   6.433  10.810  -0.543
   53   3HB   ALA 516          1HB       ALA 516   6.212  12.151   0.584
   54    H    VAL 517           H        VAL 517   5.511   7.805   1.595
   55    HA   VAL 517           HA       VAL 517   8.258   6.745   1.045
   56    HB   VAL 517           HB       VAL 517   6.332   4.789   1.994
   57   1HG1  VAL 517          1HG1      VAL 517   8.768   4.504   1.847
   58   2HG1  VAL 517          3HG1      VAL 517   8.978   5.760   3.069
   59   3HG1  VAL 517          2HG1      VAL 517   8.166   4.244   3.490
   60   1HG2  VAL 517          3HG2      VAL 517   5.560   6.898   3.231
   61   2HG2  VAL 517          2HG2      VAL 517   5.975   5.475   4.198
   62   3HG2  VAL 517          1HG2      VAL 517   7.115   6.823   4.068
   63    H    THR 518           H        THR 518   8.455   5.402  -0.754
   64    HA   THR 518           HA       THR 518   5.989   5.053  -2.380
   65    HB   THR 518           HB       THR 518   7.441   4.747  -4.270
   66    HG1  THR 518           HG1      THR 518   9.545   4.265  -4.065
   67   1HG2  THR 518          2HG2      THR 518   7.256   7.083  -3.207
   68   2HG2  THR 518          1HG2      THR 518   8.892   6.807  -2.611
   69   3HG2  THR 518          3HG2      THR 518   8.578   6.825  -4.346
   70    H    PHE 519           H        PHE 519   5.101   3.083  -2.519
   71    HA   PHE 519           HA       PHE 519   6.690   0.762  -1.529
   72   1HB   PHE 519          2HB       PHE 519   3.711   0.556  -1.690
   73   2HB   PHE 519          1HB       PHE 519   4.818  -0.160  -0.534
   74    HD1  PHE 519           HD1      PHE 519   3.577   3.230  -1.594
   75    HD2  PHE 519           HD2      PHE 519   4.929   0.694   1.576
   76    HE1  PHE 519           HE1      PHE 519   3.174   5.058   0.021
   77    HE2  PHE 519           HE2      PHE 519   4.541   2.535   3.207
   78    HZ   PHE 519           HZ       PHE 519   3.664   4.697   2.411
   79    H    ASP 520           H        ASP 520   6.502  -1.198  -2.692
   80    HA   ASP 520           HA       ASP 520   5.228  -0.939  -5.365
   81   1HB   ASP 520          2HB       ASP 520   8.033  -1.681  -4.636
   82   2HB   ASP 520          1HB       ASP 520   7.277  -2.560  -5.958
   83    H    LEU 521           H        LEU 521   4.368  -2.979  -6.132
   84    HA   LEU 521           HA       LEU 521   4.693  -5.364  -4.485
   85   1HB   LEU 521          2HB       LEU 521   3.168  -4.420  -2.989
   86   2HB   LEU 521          1HB       LEU 521   2.286  -3.587  -4.263
   87    HG   LEU 521           HG       LEU 521   1.092  -5.490  -4.867
   88   1HD1  LEU 521          1HD1      LEU 521   3.558  -6.866  -4.003
   89   2HD1  LEU 521          3HD1      LEU 521   2.062  -7.764  -3.706
   90   3HD1  LEU 521          2HD1      LEU 521   2.467  -7.233  -5.354
   91   1HD2  LEU 521          3HD2      LEU 521   1.465  -5.010  -2.037
   92   2HD2  LEU 521          2HD2      LEU 521   0.001  -5.442  -2.916
   93   3HD2  LEU 521          1HD2      LEU 521   1.062  -6.708  -2.324
   94    H    THR 522           H        THR 522   5.214  -6.383  -6.451
   95    HA   THR 522           HA       THR 522   3.301  -6.202  -8.668
   96    HB   THR 522           HB       THR 522   5.649  -8.053  -8.203
   97    HG1  THR 522           HG1      THR 522   6.430  -6.118  -8.716
   98   1HG2  THR 522          3HG2      THR 522   3.463  -8.207 -10.122
   99   2HG2  THR 522          2HG2      THR 522   5.027  -8.050 -10.922
  100   3HG2  THR 522          1HG2      THR 522   4.744  -9.373  -9.790
  101    H    ALA 523           H        ALA 523   1.363  -7.319  -8.837
  102    HA   ALA 523           HA       ALA 523   1.258 -10.075  -7.838
  103   1HB   ALA 523          1HB       ALA 523   0.889  -8.249  -5.919
  104   2HB   ALA 523          3HB       ALA 523  -0.765  -8.424  -6.475
  105   3HB   ALA 523          2HB       ALA 523   0.119  -9.849  -5.867
  106    H    THR 524           H        THR 524   0.486  -8.685 -10.307
  107    HA   THR 524           HA       THR 524  -1.242  -8.784 -11.894
  108    HB   THR 524           HB       THR 524  -0.880 -11.220 -10.974
  109    HG1  THR 524           HG1      THR 524  -1.708 -10.606 -13.033
  110   1HG2  THR 524          3HG2      THR 524  -3.093 -10.293  -9.412
  111   2HG2  THR 524          2HG2      THR 524  -3.677 -11.553 -10.506
  112   3HG2  THR 524          1HG2      THR 524  -2.343 -11.891  -9.404
  113    H    THR 525           H        THR 525  -3.557  -8.655 -12.318
  114    HA   THR 525           HA       THR 525  -5.276  -7.797 -10.029
  115    HB   THR 525           HB       THR 525  -4.280  -5.748 -11.268
  116    HG1  THR 525           HG1      THR 525  -6.144  -4.679 -10.907
  117   1HG2  THR 525          2HG2      THR 525  -5.384  -7.107 -13.493
  118   2HG2  THR 525          1HG2      THR 525  -6.361  -5.663 -13.228
  119   3HG2  THR 525          3HG2      THR 525  -4.624  -5.519 -13.467
  120    H    THR 526           H        THR 526  -7.626  -7.366 -11.038
  121    HA   THR 526           HA       THR 526  -8.104  -9.643 -12.885
  122    HB   THR 526           HB       THR 526  -9.177 -10.030 -10.726
  123    HG1  THR 526           HG1      THR 526 -11.332  -9.162 -12.252
  124   1HG2  THR 526          2HG2      THR 526 -10.081  -7.210 -11.139
  125   2HG2  THR 526          1HG2      THR 526 -11.112  -8.303 -10.215
  126   3HG2  THR 526          3HG2      THR 526  -9.462  -7.986  -9.683
  127    H    TYR 527           H        TYR 527  -7.314  -7.171 -13.663
  128    HA   TYR 527           HA       TYR 527  -7.771  -5.484 -15.194
  129   1HB   TYR 527          2HB       TYR 527  -8.530  -7.889 -16.150
  130   2HB   TYR 527          1HB       TYR 527 -10.070  -7.054 -16.193
  131    HD1  TYR 527           HD2      TYR 527 -10.163  -4.760 -17.403
  132    HD2  TYR 527           HD1      TYR 527  -6.887  -7.545 -17.827
  133    HE1  TYR 527           HE2      TYR 527  -9.469  -3.637 -19.503
  134    HE2  TYR 527           HE1      TYR 527  -6.214  -6.416 -19.935
  135    HH   TYR 527           HH       TYR 527  -6.830  -4.919 -21.494
  136    H    GLY 528           H        GLY 528  -8.953  -5.148 -12.631
  137   1HA   GLY 528          2HA       GLY 528 -10.659  -2.979 -12.971
  138   2HA   GLY 528          1HA       GLY 528 -11.738  -4.368 -12.868
  139    H    GLU 529           H        GLU 529  -9.134  -2.660 -11.057
  140    HA   GLU 529           HA       GLU 529 -10.470  -2.775  -8.565
  141   1HB   GLU 529          2HB       GLU 529  -9.008  -4.644  -7.526
  142   2HB   GLU 529          1HB       GLU 529 -10.375  -5.132  -8.518
  143   1HG   GLU 529          2HG       GLU 529  -9.037  -6.080 -10.068
  144   2HG   GLU 529          1HG       GLU 529  -7.965  -4.680 -10.098
  145    H    ASN 530           H        ASN 530  -9.087  -2.126  -6.701
  146    HA   ASN 530           HA       ASN 530  -6.431  -0.983  -7.593
  147   1HB   ASN 530          2HB       ASN 530  -8.161   0.706  -6.925
  148   2HB   ASN 530          1HB       ASN 530  -8.197  -0.036  -5.331
  149   1HD2  ASN 530          2HD2      ASN 530  -4.803   1.081  -4.552
  150   2HD2  ASN 530          1HD2      ASN 530  -5.723  -0.323  -4.422
  151    H    ILE 531           H        ILE 531  -4.623  -1.423  -6.299
  152    HA   ILE 531           HA       ILE 531  -5.202  -3.371  -4.099
  153    HB   ILE 531           HB       ILE 531  -3.795  -3.899  -6.314
  154   1HG1  ILE 531          2HG1      ILE 531  -2.614  -4.982  -3.845
  155   2HG1  ILE 531          1HG1      ILE 531  -4.297  -5.307  -4.189
  156   1HG2  ILE 531          1HG2      ILE 531  -1.812  -2.692  -4.405
  157   2HG2  ILE 531          3HG2      ILE 531  -1.346  -3.826  -5.660
  158   3HG2  ILE 531          2HG2      ILE 531  -2.073  -2.274  -6.079
  159   1HD1  ILE 531          1HD1      ILE 531  -2.222  -5.697  -6.319
  160   2HD1  ILE 531          3HD1      ILE 531  -2.513  -6.948  -5.103
  161   3HD1  ILE 531          2HD1      ILE 531  -3.827  -6.429  -6.159
  162    H    TYR 532           H        TYR 532  -5.039  -2.390  -2.211
  163    HA   TYR 532           HA       TYR 532  -3.484   0.081  -1.983
  164   1HB   TYR 532          2HB       TYR 532  -5.800  -1.135  -0.756
  165   2HB   TYR 532          1HB       TYR 532  -4.765  -0.238   0.358
  166    HD1  TYR 532           HD1      TYR 532  -6.489  -0.069  -2.912
  167    HD2  TYR 532           HD2      TYR 532  -4.591   2.036   0.348
  168    HE1  TYR 532           HE1      TYR 532  -7.509   2.086  -3.702
  169    HE2  TYR 532           HE2      TYR 532  -5.600   4.193  -0.459
  170    HH   TYR 532           HH       TYR 532  -7.984   4.256  -3.046
  171    H    LEU 533           H        LEU 533  -3.066   0.576   0.431
  172    HA   LEU 533           HA       LEU 533  -1.353  -1.518   1.593
  173   1HB   LEU 533          2HB       LEU 533  -0.189   0.361   0.185
  174   2HB   LEU 533          1HB       LEU 533  -0.517   1.340   1.610
  175    HG   LEU 533           HG       LEU 533   1.716   0.344   1.751
  176   1HD1  LEU 533          1HD1      LEU 533   0.246   0.696   3.789
  177   2HD1  LEU 533          3HD1      LEU 533  -0.193  -1.013   3.675
  178   3HD1  LEU 533          2HD1      LEU 533   1.482  -0.555   3.981
  179   1HD2  LEU 533          1HD2      LEU 533   0.260  -1.913   0.726
  180   2HD2  LEU 533          3HD2      LEU 533   2.007  -1.721   0.908
  181   3HD2  LEU 533          2HD2      LEU 533   1.047  -2.373   2.240
  182    H    VAL 534           H        VAL 534  -3.112  -1.744   3.218
  183    HA   VAL 534           HA       VAL 534  -3.329   0.625   5.020
  184    HB   VAL 534           HB       VAL 534  -5.376  -0.750   3.988
  185   1HG1  VAL 534          1HG1      VAL 534  -4.539  -2.805   5.328
  186   2HG1  VAL 534          3HG1      VAL 534  -5.271  -1.926   6.691
  187   3HG1  VAL 534          2HG1      VAL 534  -6.254  -2.366   5.292
  188   1HG2  VAL 534          3HG2      VAL 534  -5.165   1.084   5.982
  189   2HG2  VAL 534          2HG2      VAL 534  -6.660   0.464   5.292
  190   3HG2  VAL 534          1HG2      VAL 534  -5.998  -0.282   6.766
  191    H    GLY 535           H        GLY 535  -2.230   0.585   6.763
  192   1HA   GLY 535          2HA       GLY 535  -1.370  -1.840   8.236
  193   2HA   GLY 535          1HA       GLY 535  -0.229  -0.531   7.925
  194    H    SER 536           H        SER 536  -0.104   1.058   9.710
  195    HA   SER 536           HA       SER 536  -2.655   1.350  11.263
  196   1HB   SER 536          2HB       SER 536  -1.119  -0.254  12.448
  197   2HB   SER 536          1HB       SER 536  -0.001   1.078  12.679
  198    HG   SER 536           HG       SER 536  -1.485   0.767  14.430
  199    H    ILE 537           H        ILE 537  -2.793   3.544  10.214
  200    HA   ILE 537           HA       ILE 537  -1.479   5.443  11.842
  201    HB   ILE 537           HB       ILE 537  -1.010   5.363   8.922
  202   1HG1  ILE 537          2HG1      ILE 537   0.536   4.184  10.432
  203   2HG1  ILE 537          1HG1      ILE 537   1.314   5.555   9.659
  204   1HG2  ILE 537          3HG2      ILE 537  -1.504   7.705  10.434
  205   2HG2  ILE 537          2HG2      ILE 537   0.248   7.577  10.258
  206   3HG2  ILE 537          1HG2      ILE 537  -0.780   7.613   8.825
  207   1HD1  ILE 537          3HD1      ILE 537  -0.025   6.307  12.153
  208   2HD1  ILE 537          2HD1      ILE 537   1.241   5.107  12.397
  209   3HD1  ILE 537          1HD1      ILE 537   1.613   6.644  11.617
  210    H    SER 538           H        SER 538  -2.497   7.313  12.211
  211    HA   SER 538           HA       SER 538  -5.355   7.162  11.632
  212   1HB   SER 538          2HB       SER 538  -3.781   9.404  12.943
  213   2HB   SER 538          1HB       SER 538  -5.536   9.246  12.951
  214    HG   SER 538           HG       SER 538  -3.750   7.264  13.920
  215    H    GLN 539           H        GLN 539  -2.731   9.044  10.291
  216    HA   GLN 539           HA       GLN 539  -4.576  10.674   8.671
  217   1HB   GLN 539          2HB       GLN 539  -2.200  11.400   9.594
  218   2HB   GLN 539          1HB       GLN 539  -1.609  10.520   8.183
  219   1HG   GLN 539          2HG       GLN 539  -3.735  12.672   8.040
  220   2HG   GLN 539          1HG       GLN 539  -2.023  12.978   7.769
  221   1HE2  GLN 539          2HE2      GLN 539  -2.176  10.606   4.846
  222   2HE2  GLN 539          1HE2      GLN 539  -1.364  10.571   6.336
  223    H    LEU 540           H        LEU 540  -2.826   7.772   8.743
  224    HA   LEU 540           HA       LEU 540  -3.663   7.131   6.011
  225   1HB   LEU 540          2HB       LEU 540  -1.111   7.361   6.277
  226   2HB   LEU 540          1HB       LEU 540  -1.236   5.973   7.341
  227    HG   LEU 540           HG       LEU 540  -2.663   5.458   4.898
  228   1HD1  LEU 540          3HD1      LEU 540  -0.444   7.120   4.516
  229   2HD1  LEU 540          2HD1      LEU 540   0.147   5.497   4.152
  230   3HD1  LEU 540          1HD1      LEU 540  -1.245   6.144   3.287
  231   1HD2  LEU 540          2HD2      LEU 540  -0.813   4.172   6.757
  232   2HD2  LEU 540          1HD2      LEU 540  -1.979   3.434   5.658
  233   3HD2  LEU 540          3HD2      LEU 540  -0.359   3.824   5.082
  234    H    GLY 541           H        GLY 541  -5.548   6.551   7.279
  235   1HA   GLY 541          2HA       GLY 541  -6.189   5.246   9.444
  236   2HA   GLY 541          1HA       GLY 541  -6.847   4.604   7.936
  237    H    ASP 542           H        ASP 542  -4.896   3.586   6.737
  238    HA   ASP 542           HA       ASP 542  -3.499   1.746   6.521
  239   1HB   ASP 542          2HB       ASP 542  -2.657   3.434   8.527
  240   2HB   ASP 542          1HB       ASP 542  -2.646   1.922   9.326
  241    H    TRP 543           H        TRP 543  -6.177   1.759   8.614
  242    HA   TRP 543           HA       TRP 543  -6.256  -1.186   8.680
  243   1HB   TRP 543          2HB       TRP 543  -7.056   0.574  11.001
  244   2HB   TRP 543          1HB       TRP 543  -7.475  -1.134  10.831
  245    HD1  TRP 543           HD1      TRP 543  -5.074   0.817  12.529
  246    HE1  TRP 543           HE1      TRP 543  -2.846  -0.379  12.853
  247    HE3  TRP 543           HE3      TRP 543  -5.682  -3.017   9.239
  248    HZ2  TRP 543           HZ2      TRP 543  -1.450  -2.634  11.762
  249    HZ3  TRP 543           HZ3      TRP 543  -3.886  -4.693   8.909
  250    HH2  TRP 543           HH2      TRP 543  -1.768  -4.515  10.193
  251    H    GLU 544           H        GLU 544  -7.286   1.194   7.247
  252    HA   GLU 544           HA       GLU 544  -9.947   0.236   6.668
  253   1HB   GLU 544          2HB       GLU 544 -10.480   1.862   8.500
  254   2HB   GLU 544          1HB       GLU 544  -9.502   3.075   7.672
  255   1HG   GLU 544          2HG       GLU 544 -11.197   3.615   6.308
  256   2HG   GLU 544          1HG       GLU 544 -11.408   1.929   5.836
  257    H    THR 545           H        THR 545  -9.059  -0.080   4.609
  258    HA   THR 545           HA       THR 545  -7.009   1.401   3.544
  259    HB   THR 545           HB       THR 545  -7.474   0.431   1.431
  260    HG1  THR 545           HG1      THR 545 -10.222   0.298   2.049
  261   1HG2  THR 545          3HG2      THR 545  -7.703  -1.215   3.523
  262   2HG2  THR 545          2HG2      THR 545  -9.332  -1.403   2.873
  263   3HG2  THR 545          1HG2      THR 545  -7.937  -1.800   1.876
  264    H    SER 546           H        SER 546 -10.175   2.612   4.153
  265    HA   SER 546           HA       SER 546 -10.690   4.381   2.046
  266   1HB   SER 546          2HB       SER 546 -11.738   4.007   4.557
  267   2HB   SER 546          1HB       SER 546 -10.989   5.593   4.720
  268    HG   SER 546           HG       SER 546 -13.264   4.960   3.520
  269    H    ASP 547           H        ASP 547  -8.103   4.402   4.323
  270    HA   ASP 547           HA       ASP 547  -6.942   6.756   2.986
  271   1HB   ASP 547          2HB       ASP 547  -7.411   6.531   5.971
  272   2HB   ASP 547          1HB       ASP 547  -6.298   7.693   5.246
  273    H    GLY 548           H        GLY 548  -6.215   3.967   2.798
  274   1HA   GLY 548          2HA       GLY 548  -3.801   3.685   4.481
  275   2HA   GLY 548          1HA       GLY 548  -4.451   2.458   3.385
  276    H    ILE 549           H        ILE 549  -3.269   2.201   1.541
  277    HA   ILE 549           HA       ILE 549  -2.316   4.588   0.164
  278    HB   ILE 549           HB       ILE 549  -0.135   2.594   0.404
  279   1HG1  ILE 549          2HG1      ILE 549  -0.449   4.545   2.652
  280   2HG1  ILE 549          1HG1      ILE 549  -1.239   2.985   2.770
  281   1HG2  ILE 549          3HG2      ILE 549  -0.338   5.609   0.469
  282   2HG2  ILE 549          2HG2      ILE 549   1.188   4.738   0.688
  283   3HG2  ILE 549          1HG2      ILE 549   0.291   4.601  -0.833
  284   1HD1  ILE 549          1HD1      ILE 549   1.140   2.091   2.027
  285   2HD1  ILE 549          3HD1      ILE 549   1.680   3.629   2.698
  286   3HD1  ILE 549          2HD1      ILE 549   0.816   2.478   3.716
  287    H    ALA 550           H        ALA 550  -3.656   4.043  -1.503
  288    HA   ALA 550           HA       ALA 550  -4.004   1.583  -2.797
  289   1HB   ALA 550          1HB       ALA 550  -4.811   4.193  -3.225
  290   2HB   ALA 550          3HB       ALA 550  -3.900   3.790  -4.679
  291   3HB   ALA 550          2HB       ALA 550  -5.267   2.789  -4.191
  292    H    LEU 551           H        LEU 551  -3.214   0.928  -4.956
  293    HA   LEU 551           HA       LEU 551  -0.506   1.901  -5.723
  294   1HB   LEU 551          2HB       LEU 551  -1.122  -1.008  -5.081
  295   2HB   LEU 551          1HB       LEU 551   0.365  -0.441  -5.819
  296    HG   LEU 551           HG       LEU 551   0.386   1.122  -3.643
  297   1HD1  LEU 551          2HD1      LEU 551  -1.100  -1.380  -2.799
  298   2HD1  LEU 551          1HD1      LEU 551  -0.398  -0.196  -1.696
  299   3HD1  LEU 551          3HD1      LEU 551  -1.731   0.263  -2.751
  300   1HD2  LEU 551          3HD2      LEU 551   2.057  -0.622  -4.460
  301   2HD2  LEU 551          2HD2      LEU 551   1.964  -0.427  -2.709
  302   3HD2  LEU 551          1HD2      LEU 551   1.170  -1.796  -3.488
  303    H    SER 552           H        SER 552  -0.036   1.572  -7.921
  304    HA   SER 552           HA       SER 552  -2.113   0.083  -9.511
  305   1HB   SER 552          2HB       SER 552  -2.198   2.793  -9.378
  306   2HB   SER 552          1HB       SER 552  -1.065   2.571 -10.710
  307    HG   SER 552           HG       SER 552  -3.425   2.640 -11.177
  308    H    ALA 553           H        ALA 553  -1.158   0.673 -12.087
  309    HA   ALA 553           HA       ALA 553   1.747   0.227 -12.225
  310   1HB   ALA 553          1HB       ALA 553  -0.156  -1.889 -13.291
  311   2HB   ALA 553          3HB       ALA 553   1.600  -1.880 -13.561
  312   3HB   ALA 553          2HB       ALA 553   0.927  -2.096 -11.931
  313    H    ASP 554           H        ASP 554   1.458   2.297 -13.378
  314    HA   ASP 554           HA       ASP 554  -0.165   2.751 -15.618
  315   1HB   ASP 554          2HB       ASP 554   1.655   4.325 -16.371
  316   2HB   ASP 554          1HB       ASP 554   1.188   4.557 -14.686
  317    H    LYS 555           H        LYS 555   2.754   0.901 -15.193
  318    HA   LYS 555           HA       LYS 555   3.447   0.455 -17.911
  319   1HB   LYS 555          2HB       LYS 555   3.606  -1.702 -15.811
  320   2HB   LYS 555          1HB       LYS 555   4.741  -1.340 -17.111
  321   1HG   LYS 555          2HG       LYS 555   5.938  -0.120 -15.649
  322   2HG   LYS 555          1HG       LYS 555   4.587   1.012 -15.568
  323   1HD   LYS 555          2HD       LYS 555   3.631  -0.107 -13.691
  324   2HD   LYS 555          1HD       LYS 555   4.686  -1.506 -13.898
  325   1HE   LYS 555          2HE       LYS 555   6.543   0.457 -13.642
  326   2HE   LYS 555          1HE       LYS 555   5.252   1.117 -12.638
  327   1HZ   LYS 555          2HZ       LYS 555   5.474  -1.612 -12.086
  328   2HZ   LYS 555          1HZ       LYS 555   7.039  -0.954 -12.033
  329   3HZ   LYS 555          3HZ       LYS 555   5.814  -0.304 -11.057
  330    H    TYR 556           H        TYR 556   1.639  -1.858 -15.771
  331    HA   TYR 556           HA       TYR 556   0.481  -3.479 -17.687
  332   1HB   TYR 556          2HB       TYR 556  -0.307  -2.381 -15.063
  333   2HB   TYR 556          1HB       TYR 556  -1.600  -3.078 -16.022
  334    HD1  TYR 556           HD1      TYR 556  -0.581  -5.320 -17.344
  335    HD2  TYR 556           HD2      TYR 556   0.481  -3.873 -13.429
  336    HE1  TYR 556           HE1      TYR 556   0.078  -7.601 -16.646
  337    HE2  TYR 556           HE2      TYR 556   1.156  -6.121 -12.790
  338    HH   TYR 556           HH       TYR 556   0.249  -8.731 -13.932
  339    H    THR 557           H        THR 557  -1.737  -3.431 -18.548
  340    HA   THR 557           HA       THR 557  -2.741  -0.691 -19.124
  341    HB   THR 557           HB       THR 557  -2.202  -2.999 -20.915
  342    HG1  THR 557           HG1      THR 557  -1.663  -1.330 -22.290
  343   1HG2  THR 557          3HG2      THR 557  -4.677  -2.808 -20.944
  344   2HG2  THR 557          2HG2      THR 557  -4.516  -1.116 -21.423
  345   3HG2  THR 557          1HG2      THR 557  -3.946  -2.394 -22.498
  346    H    SER 558           H        SER 558  -3.366  -3.647 -17.790
  347    HA   SER 558           HA       SER 558  -6.215  -3.803 -18.235
  348   1HB   SER 558          2HB       SER 558  -5.126  -5.864 -17.962
  349   2HB   SER 558          1HB       SER 558  -4.205  -5.307 -16.571
  350    HG   SER 558           HG       SER 558  -6.063  -6.706 -16.148
  351    H    SER 559           H        SER 559  -5.457  -4.407 -14.918
  352    HA   SER 559           HA       SER 559  -6.744  -1.781 -14.257
  353   1HB   SER 559          2HB       SER 559  -7.638  -4.397 -13.711
  354   2HB   SER 559          1HB       SER 559  -7.110  -3.723 -12.176
  355    HG   SER 559           HG       SER 559  -8.881  -2.514 -14.041
  356    H    ASP 560           H        ASP 560  -3.916  -2.082 -14.386
  357    HA   ASP 560           HA       ASP 560  -2.068  -1.403 -13.045
  358   1HB   ASP 560          2HB       ASP 560  -3.787  -1.219 -10.624
  359   2HB   ASP 560          1HB       ASP 560  -2.543  -0.134 -11.223
  360    HA   PRO 561           HA       PRO 561  -2.641  -5.647 -10.878
  361   1HB   PRO 561          2HB       PRO 561  -1.632  -7.272 -12.839
  362   2HB   PRO 561          1HB       PRO 561  -3.330  -6.908 -12.622
  363   1HG   PRO 561          2HG       PRO 561  -1.495  -5.907 -14.637
  364   2HG   PRO 561          1HG       PRO 561  -3.228  -6.132 -14.743
  365   1HD   PRO 561          2HD       PRO 561  -1.968  -3.664 -14.328
  366   2HD   PRO 561          1HD       PRO 561  -3.663  -4.024 -14.021
  367    H    LEU 562           H        LEU 562  -0.196  -3.672 -11.866
  368    HA   LEU 562           HA       LEU 562   1.885  -5.580 -10.935
  369   1HB   LEU 562          2HB       LEU 562   2.271  -4.041 -13.047
  370   2HB   LEU 562          1HB       LEU 562   2.521  -2.776 -11.861
  371    HG   LEU 562           HG       LEU 562   4.569  -4.171 -12.714
  372   1HD1  LEU 562          1HD1      LEU 562   4.370  -2.437 -10.812
  373   2HD1  LEU 562          3HD1      LEU 562   4.275  -3.837  -9.733
  374   3HD1  LEU 562          2HD1      LEU 562   5.708  -3.592 -10.727
  375   1HD2  LEU 562          2HD2      LEU 562   3.194  -6.318 -11.971
  376   2HD2  LEU 562          1HD2      LEU 562   4.946  -6.255 -11.731
  377   3HD2  LEU 562          3HD2      LEU 562   3.858  -5.926 -10.384
  378    H    TRP 563           H        TRP 563   0.210  -2.652 -10.351
  379    HA   TRP 563           HA       TRP 563  -0.032  -1.343  -8.468
  380   1HB   TRP 563          2HB       TRP 563   0.947  -3.664  -6.894
  381   2HB   TRP 563          1HB       TRP 563  -0.346  -2.543  -6.553
  382    HD1  TRP 563           HD1      TRP 563   0.418  -5.759  -8.433
  383    HE1  TRP 563           HE1      TRP 563  -1.757  -6.895  -9.147
  384    HE3  TRP 563           HE3      TRP 563  -2.865  -1.902  -7.613
  385    HZ2  TRP 563           HZ2      TRP 563  -4.487  -6.205  -9.405
  386    HZ3  TRP 563           HZ3      TRP 563  -5.233  -2.193  -8.176
  387    HH2  TRP 563           HH2      TRP 563  -6.064  -4.330  -9.078
  388    H    TYR 564           H        TYR 564   1.238   0.236  -7.785
  389    HA   TYR 564           HA       TYR 564   3.794  -0.355  -6.439
  390   1HB   TYR 564          2HB       TYR 564   4.820   1.618  -7.779
  391   2HB   TYR 564          1HB       TYR 564   4.692   0.069  -8.618
  392    HD1  TYR 564           HD2      TYR 564   1.769   2.045  -7.790
  393    HD2  TYR 564           HD1      TYR 564   4.551   1.079 -10.865
  394    HE1  TYR 564           HE2      TYR 564   0.280   3.090  -9.340
  395    HE2  TYR 564           HE1      TYR 564   3.066   2.208 -12.520
  396    HH   TYR 564           HH       TYR 564   0.807   4.322 -11.814
  397    H    VAL 565           H        VAL 565   4.372   2.565  -6.137
  398    HA   VAL 565           HA       VAL 565   2.109   4.111  -5.687
  399    HB   VAL 565           HB       VAL 565   1.026   2.661  -4.249
  400   1HG1  VAL 565          3HG1      VAL 565   3.698   2.101  -2.951
  401   2HG1  VAL 565          2HG1      VAL 565   2.169   1.412  -2.430
  402   3HG1  VAL 565          1HG1      VAL 565   2.829   1.013  -4.012
  403   1HG2  VAL 565          3HG2      VAL 565   2.668   4.518  -2.515
  404   2HG2  VAL 565          2HG2      VAL 565   1.040   4.775  -3.137
  405   3HG2  VAL 565          1HG2      VAL 565   1.331   3.549  -1.905
  406    H    THR 566           H        THR 566   2.323   5.891  -4.362
  407    HA   THR 566           HA       THR 566   4.813   6.456  -2.922
  408    HB   THR 566           HB       THR 566   4.156   7.963  -5.478
  409    HG1  THR 566           HG1      THR 566   5.557   6.669  -6.312
  410   1HG2  THR 566          2HG2      THR 566   5.426   8.844  -3.093
  411   2HG2  THR 566          1HG2      THR 566   6.693   8.622  -4.300
  412   3HG2  THR 566          3HG2      THR 566   5.330   9.687  -4.639
  413    H    VAL 567           H        VAL 567   3.287   6.847  -1.207
  414    HA   VAL 567           HA       VAL 567   1.635   9.318  -1.596
  415    HB   VAL 567           HB       VAL 567   0.980   7.128   0.376
  416   1HG1  VAL 567          3HG1      VAL 567  -0.290   9.599  -0.675
  417   2HG1  VAL 567          2HG1      VAL 567  -1.360   8.212  -0.479
  418   3HG1  VAL 567          1HG1      VAL 567  -0.460   8.831   0.905
  419   1HG2  VAL 567          2HG2      VAL 567   0.099   7.373  -2.517
  420   2HG2  VAL 567          1HG2      VAL 567   1.104   6.091  -1.841
  421   3HG2  VAL 567          3HG2      VAL 567  -0.581   6.244  -1.345
  422    H    THR 568           H        THR 568   1.054  10.220   0.761
  423    HA   THR 568           HA       THR 568   3.633  10.318   2.259
  424    HB   THR 568           HB       THR 568   2.486  12.588   3.046
  425    HG1  THR 568           HG1      THR 568   1.572  12.455   0.400
  426   1HG2  THR 568          2HG2      THR 568   4.110  11.891   0.641
  427   2HG2  THR 568          1HG2      THR 568   3.513  13.545   0.780
  428   3HG2  THR 568          3HG2      THR 568   4.543  12.870   2.043
  429    H    LEU 569           H        LEU 569   3.342  10.954   4.590
  430    HA   LEU 569           HA       LEU 569   0.821  10.334   5.913
  431   1HB   LEU 569          2HB       LEU 569   2.041   8.076   5.319
  432   2HB   LEU 569          1HB       LEU 569   3.120   8.518   6.645
  433    HG   LEU 569           HG       LEU 569   0.116   8.555   6.979
  434   1HD1  LEU 569          3HD1      LEU 569   2.010   6.219   7.415
  435   2HD1  LEU 569          2HD1      LEU 569   0.364   6.280   8.048
  436   3HD1  LEU 569          1HD1      LEU 569   0.644   6.269   6.311
  437   1HD2  LEU 569          1HD2      LEU 569   2.359   9.269   8.563
  438   2HD2  LEU 569          3HD2      LEU 569   0.662   9.237   9.047
  439   3HD2  LEU 569          2HD2      LEU 569   1.668   7.811   9.265
  440    HA   PRO 570           HA       PRO 570   3.504  13.300   8.063
  441   1HB   PRO 570          2HB       PRO 570   1.429  14.870   8.935
  442   2HB   PRO 570          1HB       PRO 570   2.187  15.024   7.340
  443   1HG   PRO 570          2HG       PRO 570  -0.447  13.836   8.061
  444   2HG   PRO 570          1HG       PRO 570   0.066  14.580   6.539
  445   1HD   PRO 570          2HD       PRO 570  -0.141  11.803   7.028
  446   2HD   PRO 570          1HD       PRO 570   0.697  12.558   5.656
  447    H    ALA 571           H        ALA 571   4.130  11.858   9.724
  448    HA   ALA 571           HA       ALA 571   2.873  12.365  12.290
  449   1HB   ALA 571          2HB       ALA 571   2.532   9.708  10.926
  450   2HB   ALA 571          1HB       ALA 571   2.695   9.766  12.681
  451   3HB   ALA 571          3HB       ALA 571   1.371  10.620  11.890
  452    H    GLY 572           H        GLY 572   4.149  10.312  13.777
  453   1HA   GLY 572          2HA       GLY 572   6.919  10.072  12.842
  454   2HA   GLY 572          1HA       GLY 572   6.721  11.201  14.180
  455    H    GLU 573           H        GLU 573   5.924   7.839  13.264
  456    HA   GLU 573           HA       GLU 573   6.907   6.851  15.824
  457   1HB   GLU 573          2HB       GLU 573   4.110   5.979  15.500
  458   2HB   GLU 573          1HB       GLU 573   4.979   6.443  16.959
  459   1HG   GLU 573          2HG       GLU 573   4.560   8.753  16.605
  460   2HG   GLU 573          1HG       GLU 573   4.085   8.493  14.926
  461    H    SER 574           H        SER 574   5.354   4.428  15.783
  462    HA   SER 574           HA       SER 574   6.580   3.088  13.415
  463   1HB   SER 574          2HB       SER 574   5.396   1.143  15.025
  464   2HB   SER 574          1HB       SER 574   7.101   1.585  15.027
  465    HG   SER 574           HG       SER 574   6.769   2.884  16.743
  466    H    PHE 575           H        PHE 575   5.133   3.598  11.823
  467    HA   PHE 575           HA       PHE 575   2.234   3.254  12.132
  468   1HB   PHE 575          2HB       PHE 575   3.945   3.676   9.649
  469   2HB   PHE 575          1HB       PHE 575   2.217   3.920   9.767
  470    HD1  PHE 575           HD1      PHE 575   3.602   4.904  12.868
  471    HD2  PHE 575           HD2      PHE 575   3.202   6.266   8.816
  472    HE1  PHE 575           HE1      PHE 575   4.132   7.187  13.586
  473    HE2  PHE 575           HE2      PHE 575   3.761   8.558   9.548
  474    HZ   PHE 575           HZ       PHE 575   4.231   9.011  11.932
  475    H    GLU 576           H        GLU 576   1.182   1.316  11.560
  476    HA   GLU 576           HA       GLU 576   2.849  -1.034  11.083
  477   1HB   GLU 576          2HB       GLU 576  -0.156  -0.798  11.085
  478   2HB   GLU 576          1HB       GLU 576   0.749  -2.302  11.042
  479   1HG   GLU 576          2HG       GLU 576   1.182  -0.271  13.232
  480   2HG   GLU 576          1HG       GLU 576  -0.065  -1.513  13.354
  481    H    TYR 577           H        TYR 577   2.303  -2.541   9.219
  482    HA   TYR 577           HA       TYR 577   1.376  -1.039   6.866
  483   1HB   TYR 577          2HB       TYR 577   4.162  -2.103   7.248
  484   2HB   TYR 577          1HB       TYR 577   3.476  -1.922   5.629
  485    HD1  TYR 577           HD1      TYR 577   4.375  -0.099   8.754
  486    HD2  TYR 577           HD2      TYR 577   3.097   0.239   4.658
  487    HE1  TYR 577           HE1      TYR 577   4.782   2.332   8.818
  488    HE2  TYR 577           HE2      TYR 577   3.509   2.682   4.736
  489    HH   TYR 577           HH       TYR 577   3.621   4.445   7.204
  490    H    LYS 578           H        LYS 578  -0.344  -2.440   6.813
  491    HA   LYS 578           HA       LYS 578   0.226  -5.291   6.214
  492   1HB   LYS 578          2HB       LYS 578  -1.764  -4.064   7.807
  493   2HB   LYS 578          1HB       LYS 578  -2.592  -4.592   6.342
  494   1HG   LYS 578          2HG       LYS 578  -2.648  -6.424   7.918
  495   2HG   LYS 578          1HG       LYS 578  -1.511  -6.850   6.637
  496   1HD   LYS 578          2HD       LYS 578   0.365  -6.460   7.998
  497   2HD   LYS 578          1HD       LYS 578  -0.550  -5.469   9.135
  498   1HE   LYS 578          2HE       LYS 578  -0.146  -7.622  10.172
  499   2HE   LYS 578          1HE       LYS 578  -1.859  -7.522   9.765
  500   1HZ   LYS 578          1HZ       LYS 578  -1.152  -8.631   7.588
  501   2HZ   LYS 578          3HZ       LYS 578   0.273  -9.045   8.410
  502   3HZ   LYS 578          2HZ       LYS 578  -1.228  -9.594   8.985
  503    H    PHE 579           H        PHE 579  -0.756  -6.112   4.221
  504    HA   PHE 579           HA       PHE 579  -1.259  -3.864   2.314
  505   1HB   PHE 579          2HB       PHE 579   0.800  -5.236   1.815
  506   2HB   PHE 579          1HB       PHE 579  -0.268  -6.617   1.520
  507    HD1  PHE 579           HD1      PHE 579  -2.208  -6.341   0.003
  508    HD2  PHE 579           HD2      PHE 579   1.066  -3.587   0.122
  509    HE1  PHE 579           HE1      PHE 579  -2.942  -5.400  -2.133
  510    HE2  PHE 579           HE2      PHE 579   0.335  -2.633  -2.050
  511    HZ   PHE 579           HZ       PHE 579  -1.692  -3.553  -3.139
  512    H    ILE 580           H        ILE 580  -2.915  -3.893   0.989
  513    HA   ILE 580           HA       ILE 580  -4.881  -6.091   1.284
  514    HB   ILE 580           HB       ILE 580  -6.604  -4.471   1.653
  515   1HG1  ILE 580          2HG1      ILE 580  -4.526  -2.685   0.541
  516   2HG1  ILE 580          1HG1      ILE 580  -6.284  -2.692   0.289
  517   1HG2  ILE 580          1HG2      ILE 580  -4.988  -4.980   3.592
  518   2HG2  ILE 580          3HG2      ILE 580  -4.238  -3.425   3.229
  519   3HG2  ILE 580          2HG2      ILE 580  -5.922  -3.485   3.744
  520   1HD1  ILE 580          2HD1      ILE 580  -6.167  -1.967   2.887
  521   2HD1  ILE 580          1HD1      ILE 580  -4.661  -1.263   2.305
  522   3HD1  ILE 580          3HD1      ILE 580  -6.192  -0.813   1.562
  523    H    ARG 581           H        ARG 581  -6.020  -6.590  -0.589
  524    HA   ARG 581           HA       ARG 581  -5.291  -4.974  -2.983
  525   1HB   ARG 581          2HB       ARG 581  -4.537  -7.279  -3.213
  526   2HB   ARG 581          1HB       ARG 581  -6.124  -7.882  -2.737
  527   1HG   ARG 581          2HG       ARG 581  -7.127  -6.891  -4.741
  528   2HG   ARG 581          1HG       ARG 581  -5.563  -6.227  -5.214
  529   1HD   ARG 581          2HD       ARG 581  -6.506  -9.069  -5.259
  530   2HD   ARG 581          1HD       ARG 581  -5.562  -8.186  -6.457
  531    HE   ARG 581           HE       ARG 581  -3.599  -8.447  -4.951
  532   1HH1  ARG 581          1HH2      ARG 581  -6.329  -9.711  -3.424
  533   2HH1  ARG 581          2HH2      ARG 581  -5.568 -11.178  -2.907
  534   1HH2  ARG 581          2HH1      ARG 581  -2.644 -10.598  -4.678
  535   2HH2  ARG 581          1HH1      ARG 581  -3.481 -11.681  -3.618
  536    H    ILE 582           H        ILE 582  -6.909  -3.462  -3.076
  537    HA   ILE 582           HA       ILE 582  -9.628  -4.184  -2.328
  538    HB   ILE 582           HB       ILE 582  -8.169  -1.822  -2.477
  539   1HG1  ILE 582          2HG1      ILE 582  -9.876  -2.431  -0.828
  540   2HG1  ILE 582          1HG1      ILE 582 -10.271  -0.867  -1.552
  541   1HG2  ILE 582          3HG2      ILE 582  -8.998  -1.717  -4.917
  542   2HG2  ILE 582          2HG2      ILE 582 -10.609  -1.515  -4.239
  543   3HG2  ILE 582          1HG2      ILE 582  -9.355  -0.323  -3.902
  544   1HD1  ILE 582          2HD1      ILE 582 -11.448  -2.539  -3.330
  545   2HD1  ILE 582          1HD1      ILE 582 -11.638  -3.476  -1.827
  546   3HD1  ILE 582          3HD1      ILE 582 -12.298  -1.838  -1.939
  547    H    GLU 583           H        GLU 583 -11.438  -4.398  -3.513
  548    HA   GLU 583           HA       GLU 583 -12.835  -4.937  -5.273
  549   1HB   GLU 583          2HB       GLU 583 -12.385  -2.603  -5.831
  550   2HB   GLU 583          1HB       GLU 583 -10.974  -3.092  -6.769
  551   1HG   GLU 583          2HG       GLU 583 -12.233  -3.805  -8.520
  552   2HG   GLU 583          1HG       GLU 583 -13.446  -4.535  -7.467
  553    H    SER 584           H        SER 584  -9.617  -6.072  -5.484
  554    HA   SER 584           HA       SER 584  -9.552  -7.003  -8.155
  555   1HB   SER 584          2HB       SER 584  -7.916  -8.608  -7.474
  556   2HB   SER 584          1HB       SER 584  -7.665  -7.173  -6.485
  557    HG   SER 584           HG       SER 584  -8.969  -8.215  -4.869
  558    H    ASP 585           H        ASP 585 -11.357  -8.211  -5.401
  559    HA   ASP 585           HA       ASP 585 -12.545 -10.274  -7.178
  560   1HB   ASP 585          2HB       ASP 585 -12.982 -11.122  -4.619
  561   2HB   ASP 585          1HB       ASP 585 -11.704 -11.741  -5.653
  562    H    ASP 586           H        ASP 586 -13.264  -9.011  -3.950
  563    HA   ASP 586           HA       ASP 586 -15.891  -8.004  -4.962
  564   1HB   ASP 586          2HB       ASP 586 -15.406 -10.097  -3.040
  565   2HB   ASP 586          1HB       ASP 586 -16.158  -8.727  -2.223
  566    H    SER 587           H        SER 587 -13.897  -7.995  -1.998
  567    HA   SER 587           HA       SER 587 -14.034  -5.013  -2.057
  568   1HB   SER 587          2HB       SER 587 -13.970  -5.022   0.402
  569   2HB   SER 587          1HB       SER 587 -15.416  -5.836  -0.196
  570    HG   SER 587           HG       SER 587 -14.515  -7.784   0.282
  571    H    VAL 588           H        VAL 588 -12.149  -5.526   0.521
  572    HA   VAL 588           HA       VAL 588  -9.760  -5.586  -1.228
  573    HB   VAL 588           HB       VAL 588  -9.238  -5.353   1.629
  574   1HG1  VAL 588          2HG1      VAL 588  -8.557  -3.739  -0.822
  575   2HG1  VAL 588          1HG1      VAL 588  -7.927  -3.394   0.792
  576   3HG1  VAL 588          3HG1      VAL 588  -7.538  -4.923   0.004
  577   1HG2  VAL 588          3HG2      VAL 588 -11.434  -3.802   0.631
  578   2HG2  VAL 588          2HG2      VAL 588 -10.697  -3.829   2.235
  579   3HG2  VAL 588          1HG2      VAL 588 -10.067  -2.749   0.997
  580    H    GLU 589           H        GLU 589  -7.867  -6.740  -0.338
  581    HA   GLU 589           HA       GLU 589  -8.591  -9.216   1.147
  582   1HB   GLU 589          2HB       GLU 589  -8.271  -9.987  -1.119
  583   2HB   GLU 589          1HB       GLU 589  -6.865  -8.940  -1.338
  584   1HG   GLU 589          2HG       GLU 589  -5.516 -10.536  -0.526
  585   2HG   GLU 589          1HG       GLU 589  -6.437 -10.559   0.979
  586    H    TRP 590           H        TRP 590  -7.751  -8.078   3.031
  587    HA   TRP 590           HA       TRP 590  -5.162  -6.827   2.935
  588   1HB   TRP 590          2HB       TRP 590  -6.826  -7.713   5.298
  589   2HB   TRP 590          1HB       TRP 590  -5.345  -6.760   5.423
  590    HD1  TRP 590           HD1      TRP 590  -7.444  -6.018   2.415
  591    HE1  TRP 590           HE1      TRP 590  -8.631  -3.786   2.653
  592    HE3  TRP 590           HE3      TRP 590  -6.385  -4.993   7.315
  593    HZ2  TRP 590           HZ2      TRP 590  -9.146  -1.849   4.667
  594    HZ3  TRP 590           HZ3      TRP 590  -7.213  -2.861   8.308
  595    HH2  TRP 590           HH2      TRP 590  -8.581  -1.335   6.987
  596    H    GLU 591           H        GLU 591  -3.871  -8.434   1.971
  597    HA   GLU 591           HA       GLU 591  -3.258 -10.818   3.607
  598   1HB   GLU 591          2HB       GLU 591  -3.735 -10.869   1.038
  599   2HB   GLU 591          1HB       GLU 591  -2.097 -10.232   0.904
  600   1HG   GLU 591          2HG       GLU 591  -1.366 -12.359   1.059
  601   2HG   GLU 591          1HG       GLU 591  -1.875 -12.319   2.748
  602    H    SER 592           H        SER 592  -0.568 -10.401   1.888
  603    HA   SER 592           HA       SER 592   1.426  -9.159   2.134
  604   1HB   SER 592          2HB       SER 592  -0.402  -7.356   2.967
  605   2HB   SER 592          1HB       SER 592   0.387  -7.685   4.503
  606    HG   SER 592           HG       SER 592   2.009  -6.534   3.851
  607    H    ASP 593           H        ASP 593   1.802 -11.484   2.949
  608    HA   ASP 593           HA       ASP 593   1.808 -12.207   5.667
  609   1HB   ASP 593          2HB       ASP 593   2.858 -13.259   3.253
  610   2HB   ASP 593          1HB       ASP 593   4.193 -13.212   4.405
  611    HA   PRO 594           HA       PRO 594   6.157 -10.281   6.082
  612   1HB   PRO 594          2HB       PRO 594   7.125  -8.848   3.945
  613   2HB   PRO 594          1HB       PRO 594   7.397 -10.586   4.163
  614   1HG   PRO 594          2HG       PRO 594   5.563  -9.198   2.267
  615   2HG   PRO 594          1HG       PRO 594   6.324 -10.792   2.128
  616   1HD   PRO 594          2HD       PRO 594   3.637 -10.288   2.869
  617   2HD   PRO 594          1HD       PRO 594   4.495 -11.836   3.028
  618    H    ASN 595           H        ASN 595   4.413  -8.974   7.277
  619    HA   ASN 595           HA       ASN 595   3.576  -6.410   6.255
  620   1HB   ASN 595          2HB       ASN 595   3.040  -5.952   8.691
  621   2HB   ASN 595          1HB       ASN 595   2.296  -7.411   8.036
  622   1HD2  ASN 595          2HD2      ASN 595   3.663  -8.799  11.065
  623   2HD2  ASN 595          1HD2      ASN 595   2.265  -8.080  10.426
  624    H    ARG 596           H        ARG 596   4.203  -4.456   7.980
  625    HA   ARG 596           HA       ARG 596   7.058  -4.463   8.634
  626   1HB   ARG 596          2HB       ARG 596   6.319  -3.696   6.039
  627   2HB   ARG 596          1HB       ARG 596   6.579  -2.180   6.903
  628   1HG   ARG 596          2HG       ARG 596   8.810  -2.490   6.916
  629   2HG   ARG 596          1HG       ARG 596   8.632  -4.113   7.583
  630   1HD   ARG 596          2HD       ARG 596   7.945  -4.808   5.186
  631   2HD   ARG 596          1HD       ARG 596   8.645  -3.268   4.687
  632    HE   ARG 596           HE       ARG 596  10.811  -4.103   5.266
  633   1HH1  ARG 596          2HH1      ARG 596  11.540  -5.472   7.269
  634   2HH1  ARG 596          1HH1      ARG 596  11.128  -7.145   7.096
  635   1HH2  ARG 596          1HH2      ARG 596   8.848  -6.593   4.542
  636   2HH2  ARG 596          2HH2      ARG 596   9.604  -7.780   5.552
  637    H    GLU 597           H        GLU 597   7.701  -2.303   9.569
  638    HA   GLU 597           HA       GLU 597   5.372  -0.723  10.561
  639   1HB   GLU 597          2HB       GLU 597   6.653  -0.669  12.810
  640   2HB   GLU 597          1HB       GLU 597   5.759  -2.139  12.420
  641   1HG   GLU 597          2HG       GLU 597   8.633  -1.890  11.582
  642   2HG   GLU 597          1HG       GLU 597   8.246  -2.324  13.247
  643    H    TYR 598           H        TYR 598   6.212   0.794   8.919
  644    HA   TYR 598           HA       TYR 598   8.765   1.868   8.748
  645   1HB   TYR 598          2HB       TYR 598   6.573   2.395   7.455
  646   2HB   TYR 598          1HB       TYR 598   6.311   3.612   8.703
  647    HD1  TYR 598           HD1      TYR 598   8.009   5.465   9.003
  648    HD2  TYR 598           HD2      TYR 598   8.164   2.630   5.773
  649    HE1  TYR 598           HE1      TYR 598   9.487   7.002   7.777
  650    HE2  TYR 598           HE2      TYR 598   9.695   4.135   4.537
  651    HH   TYR 598           HH       TYR 598  11.373   6.561   5.851
  652    H    THR 599           H        THR 599  10.010   2.870  10.264
  653    HA   THR 599           HA       THR 599   8.711   3.855  12.733
  654    HB   THR 599           HB       THR 599  11.292   4.443  13.143
  655    HG1  THR 599           HG1      THR 599  12.577   3.542  11.760
  656   1HG2  THR 599          1HG2      THR 599   9.553   2.387  13.869
  657   2HG2  THR 599          3HG2      THR 599  10.998   1.549  13.300
  658   3HG2  THR 599          2HG2      THR 599  11.121   2.733  14.601
  659    H    VAL 600           H        VAL 600   7.701   5.411  10.887
  660    HA   VAL 600           HA       VAL 600   9.173   7.445   9.697
  661    HB   VAL 600           HB       VAL 600   6.433   7.762  10.983
  662   1HG1  VAL 600          2HG1      VAL 600   8.222   9.403   9.280
  663   2HG1  VAL 600          1HG1      VAL 600   6.471   9.608   9.146
  664   3HG1  VAL 600          3HG1      VAL 600   7.281   9.911  10.690
  665   1HG2  VAL 600          2HG2      VAL 600   7.294   7.215   8.114
  666   2HG2  VAL 600          1HG2      VAL 600   6.272   6.172   9.125
  667   3HG2  VAL 600          3HG2      VAL 600   5.680   7.736   8.570
  668    HA   PRO 601           HA       PRO 601  10.747   9.239  13.511
  669   1HB   PRO 601          2HB       PRO 601  12.744  10.658  12.263
  670   2HB   PRO 601          1HB       PRO 601  12.880   8.943  12.688
  671   1HG   PRO 601          2HG       PRO 601  12.455  10.185  10.011
  672   2HG   PRO 601          1HG       PRO 601  13.200   8.631  10.422
  673   1HD   PRO 601          2HD       PRO 601  10.570   9.002   9.440
  674   2HD   PRO 601          1HD       PRO 601  11.217   7.512  10.160
  675    H    GLN 602           H        GLN 602  11.386  11.697  13.964
  676    HA   GLN 602           HA       GLN 602   9.322  13.389  12.612
  677   1HB   GLN 602          2HB       GLN 602   9.324  14.728  14.708
  678   2HB   GLN 602          1HB       GLN 602   8.865  13.049  14.996
  679   1HG   GLN 602          2HG       GLN 602  10.638  12.716  16.348
  680   2HG   GLN 602          1HG       GLN 602  11.748  13.392  15.155
  681   1HE2  GLN 602          2HE2      GLN 602  12.151  16.338  17.020
  682   2HE2  GLN 602          1HE2      GLN 602  12.805  15.216  15.928
  683    H    ALA 603           H        ALA 603  12.688  13.063  13.421
  684    HA   ALA 603           HA       ALA 603  13.334  15.864  12.857
  685   1HB   ALA 603          2HB       ALA 603  14.958  13.381  13.402
  686   2HB   ALA 603          1HB       ALA 603  15.729  14.870  12.856
  687   3HB   ALA 603          3HB       ALA 603  14.832  14.847  14.374
  688    H    CYS 604           H        CYS 604  14.257  16.649  10.937
  689    HA   CYS 604           HA       CYS 604  13.539  15.323   8.500
  690   1HB   CYS 604          2HB       CYS 604  14.740  17.116   7.380
  691   2HB   CYS 604          1HB       CYS 604  13.864  17.800   8.750
  692    H    GLY 605           H        GLY 605  14.677  13.878   7.259
  693   1HA   GLY 605          2HA       GLY 605  17.441  13.642   6.964
  694   2HA   GLY 605          1HA       GLY 605  17.049  12.640   8.362
  695    H    THR 606           H        THR 606  14.351  11.999   7.228
  696    HA   THR 606           HA       THR 606  14.780  10.657   4.696
  697    HB   THR 606           HB       THR 606  16.113   9.177   6.166
  698    HG1  THR 606           HG1      THR 606  14.867   7.258   5.705
  699   1HG2  THR 606          2HG2      THR 606  13.883   9.633   7.929
  700   2HG2  THR 606          1HG2      THR 606  14.074   7.901   7.657
  701   3HG2  THR 606          3HG2      THR 606  15.424   8.849   8.279
  702    H    SER 607           H        SER 607  12.787  12.391   5.950
  703    HA   SER 607           HA       SER 607  10.470  11.106   6.868
  704   1HB   SER 607          2HB       SER 607  10.474  13.385   4.874
  705   2HB   SER 607          1HB       SER 607   9.228  13.009   6.061
  706    HG   SER 607           HG       SER 607  11.737  14.187   6.380
  707    H    THR 608           H        THR 608  11.834  11.150   3.655
  708    HA   THR 608           HA       THR 608   9.498   9.548   2.712
  709    HB   THR 608           HB       THR 608   9.853  10.384   0.518
  710    HG1  THR 608           HG1      THR 608  11.769  10.897  -0.186
  711   1HG2  THR 608          3HG2      THR 608  10.381  12.506   2.594
  712   2HG2  THR 608          2HG2      THR 608  10.241  12.912   0.883
  713   3HG2  THR 608          1HG2      THR 608   8.883  12.168   1.727
  714    H    ALA 609           H        ALA 609   9.940   7.445   2.562
  715    HA   ALA 609           HA       ALA 609  12.718   6.672   1.732
  716   1HB   ALA 609          1HB       ALA 609  12.334   6.425   4.236
  717   2HB   ALA 609          3HB       ALA 609  11.154   5.175   3.842
  718   3HB   ALA 609          2HB       ALA 609  12.847   4.961   3.397
  719    H    THR 610           H        THR 610  12.413   3.943   1.678
  720    HA   THR 610           HA       THR 610  10.300   3.613  -0.414
  721    HB   THR 610           HB       THR 610  11.810   1.448  -0.798
  722    HG1  THR 610           HG1      THR 610  13.742   3.299   0.070
  723   1HG2  THR 610          1HG2      THR 610  12.588   4.248  -1.661
  724   2HG2  THR 610          3HG2      THR 610  13.120   2.759  -2.443
  725   3HG2  THR 610          2HG2      THR 610  11.414   3.205  -2.463
  726    H    VAL 611           H        VAL 611   9.435   1.408  -0.560
  727    HA   VAL 611           HA       VAL 611   9.248  -0.144   1.919
  728    HB   VAL 611           HB       VAL 611   6.641   0.837   0.920
  729   1HG1  VAL 611          3HG1      VAL 611   7.703  -0.320   3.298
  730   2HG1  VAL 611          2HG1      VAL 611   7.063   1.284   3.720
  731   3HG1  VAL 611          1HG1      VAL 611   6.012   0.067   2.961
  732   1HG2  VAL 611          2HG2      VAL 611   8.079   2.901   0.928
  733   2HG2  VAL 611          1HG2      VAL 611   6.643   2.966   1.972
  734   3HG2  VAL 611          3HG2      VAL 611   8.242   2.649   2.675
  735    H    THR 612           H        THR 612  10.229  -1.062  -0.381
  736    HA   THR 612           HA       THR 612   8.263  -1.863  -2.347
  737    HB   THR 612           HB       THR 612  10.370  -3.460  -2.877
  738    HG1  THR 612           HG1      THR 612  11.833  -2.935  -1.482
  739   1HG2  THR 612          1HG2      THR 612   9.520  -0.742  -3.605
  740   2HG2  THR 612          3HG2      THR 612  11.176  -1.167  -4.041
  741   3HG2  THR 612          2HG2      THR 612   9.830  -2.156  -4.612
  742    H    ASP 613           H        ASP 613   7.570  -3.874  -2.933
  743    HA   ASP 613           HA       ASP 613   8.295  -6.218  -1.476
  744   1HB   ASP 613          2HB       ASP 613   5.887  -4.712  -0.669
  745   2HB   ASP 613          1HB       ASP 613   5.611  -6.431  -0.954
  746    H    THR 614           H        THR 614   6.756  -8.114  -2.244
  747    HA   THR 614           HA       THR 614   5.307  -7.586  -4.683
  748    HB   THR 614           HB       THR 614   6.932  -7.747  -6.179
  749    HG1  THR 614           HG1      THR 614   7.477  -9.754  -6.712
  750   1HG2  THR 614          2HG2      THR 614   8.605  -8.361  -3.761
  751   2HG2  THR 614          1HG2      THR 614   9.306  -8.494  -5.374
  752   3HG2  THR 614          3HG2      THR 614   8.651  -6.952  -4.822
  753    H    TRP 615           H        TRP 615   3.866  -8.787  -4.904
  754    HA   TRP 615           HA       TRP 615   3.192 -10.938  -3.203
  755   1HB   TRP 615          2HB       TRP 615   2.095  -9.254  -5.186
  756   2HB   TRP 615          1HB       TRP 615   1.706 -10.909  -5.651
  757    HD1  TRP 615           HD1      TRP 615   1.319 -12.239  -3.181
  758    HE1  TRP 615           HE1      TRP 615  -0.567 -11.763  -1.460
  759    HE3  TRP 615           HE3      TRP 615   0.262  -7.542  -4.547
  760    HZ2  TRP 615           HZ2      TRP 615  -2.326  -9.549  -0.806
  761    HZ3  TRP 615           HZ3      TRP 615  -1.491  -6.265  -3.441
  762    HH2  TRP 615           HH2      TRP 615  -2.763  -7.219  -1.584
  763    H    ARG 616           H        ARG 616   4.353 -12.841  -3.306
  764    HA   ARG 616           HA       ARG 616   4.550 -14.147  -5.982
  765   1HB   ARG 616          2HB       ARG 616   6.741 -13.301  -4.250
  766   2HB   ARG 616          1HB       ARG 616   6.795 -15.033  -4.582
  767   1HG   ARG 616          2HG       ARG 616   6.281 -13.118  -6.837
  768   2HG   ARG 616          1HG       ARG 616   7.931 -13.353  -6.259
  769   1HD   ARG 616          2HD       ARG 616   8.074 -15.314  -7.350
  770   2HD   ARG 616          1HD       ARG 616   6.639 -15.913  -6.518
  771    HE   ARG 616           HE       ARG 616   5.377 -15.408  -8.449
  772   1HH1  ARG 616          1HH2      ARG 616   5.949 -12.570  -8.805
  773   2HH1  ARG 616          2HH2      ARG 616   6.880 -12.522 -10.265
  774   1HH2  ARG 616          1HH1      ARG 616   7.656 -15.901 -10.197
  775   2HH2  ARG 616          2HH1      ARG 616   7.846 -14.407 -11.053
   
  No H/Q in entry =         775
  Start of MODEL    3
    1   1H    CYS 509          2H        CYS 509  -3.202  20.345  14.587
    2   2H    CYS 509          1H        CYS 509  -1.505  20.285  14.610
    3   3H    CYS 509          3H        CYS 509  -2.381  20.012  16.036
    4    HA   CYS 509           HA       CYS 509  -2.710  22.183  16.444
    5   1HB   CYS 509          2HB       CYS 509  -0.820  23.548  15.654
    6   2HB   CYS 509          1HB       CYS 509  -0.265  21.941  16.120
    7    H    THR 510           H        THR 510  -2.873  21.367  13.052
    8    HA   THR 510           HA       THR 510  -4.703  23.686  12.664
    9    HB   THR 510           HB       THR 510  -2.704  22.838  10.559
   10    HG1  THR 510           HG1      THR 510  -1.294  24.171  11.399
   11   1HG2  THR 510          2HG2      THR 510  -4.970  24.540  10.593
   12   2HG2  THR 510          1HG2      THR 510  -3.552  25.586  10.513
   13   3HG2  THR 510          3HG2      THR 510  -3.796  24.337   9.292
   14    H    THR 511           H        THR 511  -3.404  20.867  10.864
   15    HA   THR 511           HA       THR 511  -6.048  20.393   9.676
   16    HB   THR 511           HB       THR 511  -4.307  18.195   9.200
   17    HG1  THR 511           HG1      THR 511  -2.989  20.581   8.567
   18   1HG2  THR 511          1HG2      THR 511  -5.871  20.090   7.792
   19   2HG2  THR 511          3HG2      THR 511  -4.253  20.155   7.093
   20   3HG2  THR 511          2HG2      THR 511  -5.127  18.624   7.153
   21    HA   PRO 512           HA       PRO 512  -7.340  17.166  12.375
   22   1HB   PRO 512          2HB       PRO 512  -8.212  15.217  10.648
   23   2HB   PRO 512          1HB       PRO 512  -9.074  16.742  10.917
   24   1HG   PRO 512          2HG       PRO 512  -7.453  15.895   8.566
   25   2HG   PRO 512          1HG       PRO 512  -8.768  17.079   8.654
   26   1HD   PRO 512          2HD       PRO 512  -5.985  17.658   8.564
   27   2HD   PRO 512          1HD       PRO 512  -7.292  18.810   8.913
   28    H    THR 513           H        THR 513  -4.431  16.989  11.704
   29    HA   THR 513           HA       THR 513  -2.661  15.469  11.920
   30    HB   THR 513           HB       THR 513  -2.914  13.907  13.629
   31    HG1  THR 513           HG1      THR 513  -5.024  12.921  13.982
   32   1HG2  THR 513          3HG2      THR 513  -4.009  16.292  14.068
   33   2HG2  THR 513          2HG2      THR 513  -5.471  15.323  14.248
   34   3HG2  THR 513          1HG2      THR 513  -4.078  15.019  15.286
   35    H    ALA 514           H        ALA 514  -4.507  15.306   9.551
   36    HA   ALA 514           HA       ALA 514  -4.662  12.469   8.866
   37   1HB   ALA 514          2HB       ALA 514  -5.219  15.049   7.426
   38   2HB   ALA 514          1HB       ALA 514  -5.132  13.535   6.525
   39   3HB   ALA 514          3HB       ALA 514  -6.328  13.732   7.806
   40    H    VAL 515           H        VAL 515  -3.085  11.289   7.799
   41    HA   VAL 515           HA       VAL 515  -0.679  12.822   6.948
   42    HB   VAL 515           HB       VAL 515  -0.786   9.893   7.572
   43   1HG1  VAL 515          1HG1      VAL 515   1.015  10.947   6.035
   44   2HG1  VAL 515          3HG1      VAL 515   1.586  11.755   7.494
   45   3HG1  VAL 515          2HG1      VAL 515   1.574   9.992   7.411
   46   1HG2  VAL 515          3HG2      VAL 515  -1.392  11.368   9.512
   47   2HG2  VAL 515          2HG2      VAL 515   0.109  10.473   9.744
   48   3HG2  VAL 515          1HG2      VAL 515   0.158  12.182   9.306
   49    H    ALA 516           H        ALA 516  -1.254  13.264   4.784
   50    HA   ALA 516           HA       ALA 516  -2.141  11.074   3.050
   51   1HB   ALA 516          1HB       ALA 516  -1.178  13.873   2.372
   52   2HB   ALA 516          3HB       ALA 516  -1.897  12.741   1.224
   53   3HB   ALA 516          2HB       ALA 516  -2.863  13.385   2.555
   54    H    VAL 517           H        VAL 517  -0.664   9.572   2.299
   55    HA   VAL 517           HA       VAL 517   2.133  10.587   1.954
   56    HB   VAL 517           HB       VAL 517   1.929   7.711   2.375
   57   1HG1  VAL 517          2HG1      VAL 517   3.999   9.037   2.355
   58   2HG1  VAL 517          1HG1      VAL 517   3.455   9.892   3.800
   59   3HG1  VAL 517          3HG1      VAL 517   3.793   8.156   3.878
   60   1HG2  VAL 517          1HG2      VAL 517   0.088   8.514   3.917
   61   2HG2  VAL 517          3HG2      VAL 517   1.419   7.639   4.685
   62   3HG2  VAL 517          2HG2      VAL 517   1.331   9.404   4.801
   63    H    THR 518           H        THR 518   3.028  10.063  -0.040
   64    HA   THR 518           HA       THR 518   1.262   8.587  -1.913
   65    HB   THR 518           HB       THR 518   1.946  10.651  -2.874
   66    HG1  THR 518           HG1      THR 518   3.155   9.972  -4.583
   67   1HG2  THR 518          1HG2      THR 518   4.670   9.986  -1.740
   68   2HG2  THR 518          3HG2      THR 518   4.402  11.293  -2.893
   69   3HG2  THR 518          2HG2      THR 518   3.627  11.342  -1.310
   70    H    PHE 519           H        PHE 519   1.777   6.528  -2.424
   71    HA   PHE 519           HA       PHE 519   4.559   5.626  -1.844
   72   1HB   PHE 519          2HB       PHE 519   2.429   3.554  -1.968
   73   2HB   PHE 519          1HB       PHE 519   3.863   3.623  -0.972
   74    HD1  PHE 519           HD2      PHE 519   0.682   5.619  -1.368
   75    HD2  PHE 519           HD1      PHE 519   3.522   3.801   1.271
   76    HE1  PHE 519           HE2      PHE 519  -0.644   6.377   0.575
   77    HE2  PHE 519           HE1      PHE 519   2.196   4.564   3.214
   78    HZ   PHE 519           HZ       PHE 519   0.127   5.838   2.852
   79    H    ASP 520           H        ASP 520   5.277   3.842  -3.203
   80    HA   ASP 520           HA       ASP 520   3.889   3.679  -5.819
   81   1HB   ASP 520          2HB       ASP 520   6.680   4.572  -5.217
   82   2HB   ASP 520          1HB       ASP 520   6.431   3.567  -6.639
   83    H    LEU 521           H        LEU 521   4.216   1.627  -6.836
   84    HA   LEU 521           HA       LEU 521   5.868  -0.371  -5.385
   85   1HB   LEU 521          2HB       LEU 521   3.469  -0.373  -4.462
   86   2HB   LEU 521          1HB       LEU 521   2.951  -0.903  -6.056
   87    HG   LEU 521           HG       LEU 521   3.186  -2.929  -4.917
   88   1HD1  LEU 521          3HD1      LEU 521   4.530  -2.931  -7.000
   89   2HD1  LEU 521          2HD1      LEU 521   5.941  -2.443  -6.075
   90   3HD1  LEU 521          1HD1      LEU 521   5.209  -4.017  -5.784
   91   1HD2  LEU 521          1HD2      LEU 521   4.704  -1.423  -3.133
   92   2HD2  LEU 521          3HD2      LEU 521   4.337  -3.145  -2.977
   93   3HD2  LEU 521          2HD2      LEU 521   5.844  -2.625  -3.738
   94    H    THR 522           H        THR 522   7.160  -0.302  -7.285
   95    HA   THR 522           HA       THR 522   5.920  -0.687  -9.862
   96    HB   THR 522           HB       THR 522   8.816  -1.027  -9.045
   97    HG1  THR 522           HG1      THR 522   7.684   1.116 -10.474
   98   1HG2  THR 522          3HG2      THR 522   7.388  -1.478 -11.555
   99   2HG2  THR 522          2HG2      THR 522   8.701  -0.313 -11.724
  100   3HG2  THR 522          1HG2      THR 522   9.031  -1.930 -11.103
  101    H    ALA 523           H        ALA 523   4.894  -2.518 -10.381
  102    HA   ALA 523           HA       ALA 523   6.373  -5.054 -10.047
  103   1HB   ALA 523          1HB       ALA 523   4.737  -4.584  -8.063
  104   2HB   ALA 523          3HB       ALA 523   3.490  -4.961  -9.234
  105   3HB   ALA 523          2HB       ALA 523   4.707  -6.165  -8.835
  106    H    THR 524           H        THR 524   3.607  -6.194 -10.754
  107    HA   THR 524           HA       THR 524   2.609  -5.237 -13.188
  108    HB   THR 524           HB       THR 524   4.624  -5.275 -14.368
  109    HG1  THR 524           HG1      THR 524   4.658  -7.248 -15.537
  110   1HG2  THR 524          3HG2      THR 524   5.299  -6.967 -12.153
  111   2HG2  THR 524          2HG2      THR 524   5.927  -7.670 -13.656
  112   3HG2  THR 524          1HG2      THR 524   6.370  -6.025 -13.190
  113    H    THR 525           H        THR 525   0.767  -6.427 -13.138
  114    HA   THR 525           HA       THR 525   1.045  -9.358 -13.329
  115    HB   THR 525           HB       THR 525   1.231  -8.668 -10.807
  116    HG1  THR 525           HG1      THR 525   0.984 -10.792 -11.582
  117   1HG2  THR 525          2HG2      THR 525  -1.076  -7.361 -11.250
  118   2HG2  THR 525          1HG2      THR 525  -1.734  -8.932 -10.791
  119   3HG2  THR 525          3HG2      THR 525  -0.675  -8.061  -9.682
  120    H    THR 526           H        THR 526  -1.518 -10.107 -12.508
  121    HA   THR 526           HA       THR 526  -3.135  -9.596 -14.746
  122    HB   THR 526           HB       THR 526  -3.972 -11.312 -13.366
  123    HG1  THR 526           HG1      THR 526  -5.771 -10.253 -13.881
  124   1HG2  THR 526          1HG2      THR 526  -3.532  -9.347 -11.114
  125   2HG2  THR 526          3HG2      THR 526  -4.457 -10.833 -10.904
  126   3HG2  THR 526          2HG2      THR 526  -2.754 -10.911 -11.356
  127    H    TYR 527           H        TYR 527  -3.232  -7.766 -15.513
  128    HA   TYR 527           HA       TYR 527  -3.546  -5.367 -14.034
  129   1HB   TYR 527          2HB       TYR 527  -2.818  -5.902 -16.556
  130   2HB   TYR 527          1HB       TYR 527  -4.534  -5.618 -16.858
  131    HD1  TYR 527           HD2      TYR 527  -4.717  -3.801 -14.394
  132    HD2  TYR 527           HD1      TYR 527  -2.144  -3.768 -17.776
  133    HE1  TYR 527           HE2      TYR 527  -4.558  -1.355 -14.240
  134    HE2  TYR 527           HE1      TYR 527  -1.952  -1.323 -17.568
  135    HH   TYR 527           HH       TYR 527  -4.084   0.520 -15.796
  136    H    GLY 528           H        GLY 528  -5.183  -5.778 -12.560
  137   1HA   GLY 528          2HA       GLY 528  -7.831  -5.076 -13.061
  138   2HA   GLY 528          1HA       GLY 528  -7.785  -6.829 -13.238
  139    H    GLU 529           H        GLU 529  -5.530  -6.928 -11.183
  140    HA   GLU 529           HA       GLU 529  -7.226  -7.084  -8.776
  141   1HB   GLU 529          2HB       GLU 529  -5.280  -8.203  -7.793
  142   2HB   GLU 529          1HB       GLU 529  -5.612  -8.896  -9.384
  143   1HG   GLU 529          2HG       GLU 529  -3.854  -7.643 -10.402
  144   2HG   GLU 529          1HG       GLU 529  -3.663  -6.633  -8.970
  145    H    ASN 530           H        ASN 530  -5.127  -6.512  -6.811
  146    HA   ASN 530           HA       ASN 530  -4.326  -3.712  -7.463
  147   1HB   ASN 530          2HB       ASN 530  -6.713  -4.015  -6.276
  148   2HB   ASN 530          1HB       ASN 530  -5.689  -4.072  -4.842
  149   1HD2  ASN 530          2HD2      ASN 530  -4.634  -0.654  -5.174
  150   2HD2  ASN 530          1HD2      ASN 530  -4.145  -2.162  -4.562
  151    H    ILE 531           H        ILE 531  -2.456  -3.054  -6.390
  152    HA   ILE 531           HA       ILE 531  -1.261  -5.078  -4.519
  153    HB   ILE 531           HB       ILE 531  -0.048  -4.306  -6.703
  154   1HG1  ILE 531          2HG1      ILE 531   1.668  -3.909  -4.321
  155   2HG1  ILE 531          1HG1      ILE 531   0.956  -5.484  -4.625
  156   1HG2  ILE 531          1HG2      ILE 531  -0.412  -1.880  -6.322
  157   2HG2  ILE 531          3HG2      ILE 531   0.602  -1.982  -4.892
  158   3HG2  ILE 531          2HG2      ILE 531   1.298  -2.290  -6.475
  159   1HD1  ILE 531          2HD1      ILE 531   2.290  -4.068  -6.913
  160   2HD1  ILE 531          1HD1      ILE 531   3.315  -4.815  -5.653
  161   3HD1  ILE 531          3HD1      ILE 531   2.151  -5.802  -6.552
  162    H    TYR 532           H        TYR 532  -1.740  -4.496  -2.475
  163    HA   TYR 532           HA       TYR 532  -2.331  -1.691  -1.850
  164   1HB   TYR 532          2HB       TYR 532  -2.957  -4.326  -0.827
  165   2HB   TYR 532          1HB       TYR 532  -2.755  -3.095   0.418
  166    HD1  TYR 532           HD2      TYR 532  -4.421  -3.832  -2.812
  167    HD2  TYR 532           HD1      TYR 532  -4.312  -1.438   0.790
  168    HE1  TYR 532           HE2      TYR 532  -6.767  -3.072  -3.243
  169    HE2  TYR 532           HE1      TYR 532  -6.662  -0.673   0.339
  170    HH   TYR 532           HH       TYR 532  -8.266  -1.335  -2.679
  171    H    LEU 533           H        LEU 533  -2.115  -1.345   0.659
  172    HA   LEU 533           HA       LEU 533   0.610  -1.890   1.555
  173   1HB   LEU 533          2HB       LEU 533  -0.055   0.514   0.324
  174   2HB   LEU 533          1HB       LEU 533  -0.059   0.884   2.049
  175    HG   LEU 533           HG       LEU 533   2.198  -0.797   1.318
  176   1HD1  LEU 533          1HD1      LEU 533   1.847   0.437  -0.843
  177   2HD1  LEU 533          3HD1      LEU 533   2.039   1.950   0.043
  178   3HD1  LEU 533          2HD1      LEU 533   3.385   0.815  -0.062
  179   1HD2  LEU 533          1HD2      LEU 533   1.490   1.466   3.006
  180   2HD2  LEU 533          3HD2      LEU 533   2.795   0.295   3.208
  181   3HD2  LEU 533          2HD2      LEU 533   3.043   1.730   2.211
  182    H    VAL 534           H        VAL 534  -0.481  -3.175   3.158
  183    HA   VAL 534           HA       VAL 534  -2.252  -1.800   5.070
  184    HB   VAL 534           HB       VAL 534  -2.307  -4.277   4.108
  185   1HG1  VAL 534          3HG1      VAL 534  -0.850  -4.659   6.662
  186   2HG1  VAL 534          2HG1      VAL 534  -1.660  -5.899   5.724
  187   3HG1  VAL 534          1HG1      VAL 534  -0.240  -5.074   5.055
  188   1HG2  VAL 534          1HG2      VAL 534  -3.406  -3.173   6.503
  189   2HG2  VAL 534          3HG2      VAL 534  -4.119  -4.263   5.341
  190   3HG2  VAL 534          2HG2      VAL 534  -3.131  -4.930   6.638
  191    H    GLY 535           H        GLY 535  -1.062  -0.375   6.245
  192   1HA   GLY 535          2HA       GLY 535   1.446  -1.260   7.653
  193   2HA   GLY 535          1HA       GLY 535   1.015   0.434   7.366
  194    H    SER 536           H        SER 536   1.462  -0.889  10.085
  195    HA   SER 536           HA       SER 536  -1.107  -1.538  11.309
  196   1HB   SER 536          2HB       SER 536   0.991  -2.293  12.306
  197   2HB   SER 536          1HB       SER 536   1.458  -0.643  12.658
  198    HG   SER 536           HG       SER 536   0.404  -0.981  14.440
  199    H    ILE 537           H        ILE 537  -2.432   0.172  10.712
  200    HA   ILE 537           HA       ILE 537  -2.441   2.299  12.596
  201    HB   ILE 537           HB       ILE 537  -3.037   3.176   9.873
  202   1HG1  ILE 537          2HG1      ILE 537  -0.224   2.572  10.825
  203   2HG1  ILE 537          1HG1      ILE 537  -1.048   1.790   9.487
  204   1HG2  ILE 537          3HG2      ILE 537  -2.360   4.299  12.422
  205   2HG2  ILE 537          2HG2      ILE 537  -1.166   4.827  11.240
  206   3HG2  ILE 537          1HG2      ILE 537  -2.877   5.144  10.963
  207   1HD1  ILE 537          1HD1      ILE 537  -0.447   4.749   9.578
  208   2HD1  ILE 537          3HD1      ILE 537   0.590   3.567   8.789
  209   3HD1  ILE 537          2HD1      ILE 537  -1.044   3.827   8.196
  210    H    SER 538           H        SER 538  -4.534   3.187  12.901
  211    HA   SER 538           HA       SER 538  -6.545   1.140  12.433
  212   1HB   SER 538          2HB       SER 538  -6.501   2.853  14.370
  213   2HB   SER 538          1HB       SER 538  -7.189   3.999  13.222
  214    HG   SER 538           HG       SER 538  -8.980   3.096  13.925
  215    H    GLN 539           H        GLN 539  -5.799   4.166  10.800
  216    HA   GLN 539           HA       GLN 539  -8.113   3.894   8.998
  217   1HB   GLN 539          2HB       GLN 539  -6.749   6.093   9.742
  218   2HB   GLN 539          1HB       GLN 539  -5.784   5.654   8.333
  219   1HG   GLN 539          2HG       GLN 539  -8.787   5.737   8.148
  220   2HG   GLN 539          1HG       GLN 539  -7.844   7.219   7.994
  221   1HE2  GLN 539          2HE2      GLN 539  -6.354   6.237   4.871
  222   2HE2  GLN 539          1HE2      GLN 539  -6.086   7.175   6.260
  223    H    LEU 540           H        LEU 540  -4.853   2.981   9.379
  224    HA   LEU 540           HA       LEU 540  -4.788   1.664   6.736
  225   1HB   LEU 540          2HB       LEU 540  -3.084   3.547   7.232
  226   2HB   LEU 540          1HB       LEU 540  -2.400   2.412   8.377
  227    HG   LEU 540           HG       LEU 540  -2.505   0.809   6.232
  228   1HD1  LEU 540          3HD1      LEU 540  -2.326   3.657   5.225
  229   2HD1  LEU 540          2HD1      LEU 540  -1.689   2.290   4.304
  230   3HD1  LEU 540          1HD1      LEU 540  -3.410   2.377   4.680
  231   1HD2  LEU 540          1HD2      LEU 540  -0.526   1.440   7.665
  232   2HD2  LEU 540          3HD2      LEU 540  -0.128   1.311   5.948
  233   3HD2  LEU 540          2HD2      LEU 540  -0.346   2.897   6.686
  234    H    GLY 541           H        GLY 541  -6.148   0.255   8.328
  235   1HA   GLY 541          2HA       GLY 541  -5.640  -0.992  10.596
  236   2HA   GLY 541          1HA       GLY 541  -6.143  -1.959   9.225
  237    H    ASP 542           H        ASP 542  -4.050  -2.095   7.715
  238    HA   ASP 542           HA       ASP 542  -1.824  -3.036   7.413
  239   1HB   ASP 542          2HB       ASP 542  -1.302  -1.909   9.701
  240   2HB   ASP 542          1HB       ASP 542  -1.548  -3.483  10.300
  241    H    TRP 543           H        TRP 543  -4.040  -4.220   9.669
  242    HA   TRP 543           HA       TRP 543  -3.121  -6.957   9.147
  243   1HB   TRP 543          2HB       TRP 543  -4.357  -5.945  11.695
  244   2HB   TRP 543          1HB       TRP 543  -3.334  -7.361  11.442
  245    HD1  TRP 543           HD1      TRP 543  -2.951  -3.892  12.779
  246    HE1  TRP 543           HE1      TRP 543  -0.532  -3.193  12.789
  247    HE3  TRP 543           HE3      TRP 543  -0.990  -7.253   9.435
  248    HZ2  TRP 543           HZ2      TRP 543   1.930  -3.810  11.496
  249    HZ3  TRP 543           HZ3      TRP 543   1.416  -7.152   8.855
  250    HH2  TRP 543           HH2      TRP 543   2.875  -5.422   9.869
  251    H    GLU 544           H        GLU 544  -4.864  -5.509   7.680
  252    HA   GLU 544           HA       GLU 544  -7.025  -7.201   7.173
  253   1HB   GLU 544          2HB       GLU 544  -7.913  -6.135   9.337
  254   2HB   GLU 544          1HB       GLU 544  -7.912  -4.607   8.460
  255   1HG   GLU 544          2HG       GLU 544  -9.366  -5.628   6.724
  256   2HG   GLU 544          1HG       GLU 544  -9.441  -7.104   7.688
  257    H    THR 545           H        THR 545  -6.219  -6.799   5.080
  258    HA   THR 545           HA       THR 545  -5.379  -4.300   4.133
  259    HB   THR 545           HB       THR 545  -5.982  -5.165   1.820
  260    HG1  THR 545           HG1      THR 545  -6.862  -7.265   1.741
  261   1HG2  THR 545          1HG2      THR 545  -4.027  -6.057   3.523
  262   2HG2  THR 545          3HG2      THR 545  -4.803  -7.560   3.030
  263   3HG2  THR 545          2HG2      THR 545  -4.138  -6.478   1.812
  264    H    SER 546           H        SER 546  -8.564  -5.320   4.987
  265    HA   SER 546           HA       SER 546 -10.261  -4.046   3.172
  266   1HB   SER 546          2HB       SER 546 -11.101  -5.375   5.052
  267   2HB   SER 546          1HB       SER 546 -10.522  -4.163   6.191
  268    HG   SER 546           HG       SER 546 -12.811  -4.055   5.530
  269    H    ASP 547           H        ASP 547  -8.013  -2.594   5.350
  270    HA   ASP 547           HA       ASP 547  -8.880   0.065   4.392
  271   1HB   ASP 547          2HB       ASP 547  -8.796  -0.853   7.251
  272   2HB   ASP 547          1HB       ASP 547  -8.445   0.832   6.865
  273    H    GLY 548           H        GLY 548  -6.516  -1.563   3.736
  274   1HA   GLY 548          2HA       GLY 548  -4.304  -0.321   5.212
  275   2HA   GLY 548          1HA       GLY 548  -4.153  -1.473   3.876
  276    H    ILE 549           H        ILE 549  -3.353  -0.550   2.059
  277    HA   ILE 549           HA       ILE 549  -4.523   1.934   1.141
  278    HB   ILE 549           HB       ILE 549  -1.912   1.939   2.480
  279   1HG1  ILE 549          2HG1      ILE 549  -3.851   4.090   1.586
  280   2HG1  ILE 549          1HG1      ILE 549  -3.785   3.345   3.179
  281   1HG2  ILE 549          1HG2      ILE 549  -2.178   3.183  -0.263
  282   2HG2  ILE 549          3HG2      ILE 549  -1.026   3.776   0.943
  283   3HG2  ILE 549          2HG2      ILE 549  -0.898   2.125   0.325
  284   1HD1  ILE 549          3HD1      ILE 549  -1.272   4.146   3.115
  285   2HD1  ILE 549          2HD1      ILE 549  -1.887   5.290   1.923
  286   3HD1  ILE 549          1HD1      ILE 549  -2.551   5.276   3.557
  287    H    ALA 550           H        ALA 550  -5.202   0.930  -0.607
  288    HA   ALA 550           HA       ALA 550  -3.853  -0.866  -2.308
  289   1HB   ALA 550          3HB       ALA 550  -6.349   0.279  -2.189
  290   2HB   ALA 550          2HB       ALA 550  -5.691   0.907  -3.698
  291   3HB   ALA 550          1HB       ALA 550  -5.780  -0.832  -3.434
  292    H    LEU 551           H        LEU 551  -3.029  -0.594  -4.423
  293    HA   LEU 551           HA       LEU 551  -2.115   2.151  -5.164
  294   1HB   LEU 551          2HB       LEU 551  -0.419  -0.366  -5.166
  295   2HB   LEU 551          1HB       LEU 551   0.078   1.157  -5.881
  296    HG   LEU 551           HG       LEU 551  -0.491   2.112  -3.487
  297   1HD1  LEU 551          3HD1      LEU 551  -1.385  -0.114  -2.710
  298   2HD1  LEU 551          2HD1      LEU 551   0.258  -0.741  -2.821
  299   3HD1  LEU 551          1HD1      LEU 551  -0.119   0.557  -1.687
  300   1HD2  LEU 551          3HD2      LEU 551   1.766   1.832  -4.743
  301   2HD2  LEU 551          2HD2      LEU 551   1.817   2.014  -2.989
  302   3HD2  LEU 551          1HD2      LEU 551   1.987   0.418  -3.714
  303    H    SER 552           H        SER 552  -2.442   2.595  -7.384
  304    HA   SER 552           HA       SER 552  -3.227   0.234  -9.043
  305   1HB   SER 552          2HB       SER 552  -4.853   2.349  -8.581
  306   2HB   SER 552          1HB       SER 552  -4.001   2.885 -10.032
  307    HG   SER 552           HG       SER 552  -5.770   0.782  -9.684
  308    H    ALA 553           H        ALA 553  -2.891   0.962 -11.667
  309    HA   ALA 553           HA       ALA 553  -0.033   1.622 -11.616
  310   1HB   ALA 553          3HB       ALA 553  -1.748   0.481 -13.799
  311   2HB   ALA 553          2HB       ALA 553  -0.128   1.055 -14.092
  312   3HB   ALA 553          1HB       ALA 553  -0.385  -0.270 -12.975
  313    H    ASP 554           H        ASP 554   0.852   3.364 -12.225
  314    HA   ASP 554           HA       ASP 554  -0.169   5.874 -12.590
  315   1HB   ASP 554          2HB       ASP 554   1.898   6.420 -13.868
  316   2HB   ASP 554          1HB       ASP 554   2.198   5.534 -12.376
  317    H    LYS 555           H        LYS 555  -2.159   5.630 -13.832
  318    HA   LYS 555           HA       LYS 555  -3.353   6.060 -15.787
  319   1HB   LYS 555          2HB       LYS 555  -0.686   6.613 -17.079
  320   2HB   LYS 555          1HB       LYS 555  -2.249   7.356 -17.432
  321   1HG   LYS 555          2HG       LYS 555  -1.807   8.965 -15.915
  322   2HG   LYS 555          1HG       LYS 555  -1.747   7.734 -14.651
  323   1HD   LYS 555          2HD       LYS 555   0.691   7.424 -15.914
  324   2HD   LYS 555          1HD       LYS 555   0.450   9.171 -15.952
  325   1HE   LYS 555          2HE       LYS 555   0.025   7.537 -13.440
  326   2HE   LYS 555          1HE       LYS 555   1.587   8.250 -13.853
  327   1HZ   LYS 555          3HZ       LYS 555  -0.676  10.042 -14.050
  328   2HZ   LYS 555          2HZ       LYS 555  -0.318   9.515 -12.475
  329   3HZ   LYS 555          1HZ       LYS 555   0.867  10.308 -13.398
  330    H    TYR 556           H        TYR 556  -1.377   3.441 -15.471
  331    HA   TYR 556           HA       TYR 556  -1.112   2.338 -18.068
  332   1HB   TYR 556          2HB       TYR 556  -1.459   1.185 -15.340
  333   2HB   TYR 556          1HB       TYR 556  -1.340   0.112 -16.695
  334    HD1  TYR 556           HD2      TYR 556   0.459   2.819 -17.629
  335    HD2  TYR 556           HD1      TYR 556   0.843  -0.507 -14.786
  336    HE1  TYR 556           HE2      TYR 556   2.891   3.050 -17.668
  337    HE2  TYR 556           HE1      TYR 556   3.260  -0.262 -14.961
  338    HH   TYR 556           HH       TYR 556   4.812   2.498 -16.205
  339    H    THR 557           H        THR 557  -2.445   0.014 -18.117
  340    HA   THR 557           HA       THR 557  -5.051   0.717 -19.135
  341    HB   THR 557           HB       THR 557  -3.831  -2.013 -18.854
  342    HG1  THR 557           HG1      THR 557  -3.606   0.034 -20.785
  343   1HG2  THR 557          3HG2      THR 557  -6.377  -1.118 -19.751
  344   2HG2  THR 557          2HG2      THR 557  -5.456  -1.589 -21.180
  345   3HG2  THR 557          1HG2      THR 557  -5.699  -2.743 -19.868
  346    H    SER 558           H        SER 558  -5.390  -2.372 -17.882
  347    HA   SER 558           HA       SER 558  -7.856  -1.949 -16.716
  348   1HB   SER 558          2HB       SER 558  -5.878  -4.183 -16.332
  349   2HB   SER 558          1HB       SER 558  -7.506  -4.224 -15.660
  350    HG   SER 558           HG       SER 558  -8.098  -4.846 -17.568
  351    H    SER 559           H        SER 559  -6.196  -3.696 -14.255
  352    HA   SER 559           HA       SER 559  -7.011  -1.517 -12.416
  353   1HB   SER 559          2HB       SER 559  -5.988  -4.281 -11.891
  354   2HB   SER 559          1HB       SER 559  -6.188  -3.097 -10.616
  355    HG   SER 559           HG       SER 559  -8.338  -2.986 -11.042
  356    H    ASP 560           H        ASP 560  -3.777  -3.280 -12.708
  357    HA   ASP 560           HA       ASP 560  -2.418  -0.746 -12.674
  358   1HB   ASP 560          2HB       ASP 560  -1.660  -0.839 -10.263
  359   2HB   ASP 560          1HB       ASP 560  -3.317  -0.360 -10.587
  360    HA   PRO 561           HA       PRO 561   0.625  -4.384 -12.803
  361   1HB   PRO 561          2HB       PRO 561   1.976  -3.665 -15.082
  362   2HB   PRO 561          1HB       PRO 561   0.593  -4.771 -15.022
  363   1HG   PRO 561          2HG       PRO 561   0.697  -1.939 -15.918
  364   2HG   PRO 561          1HG       PRO 561  -0.398  -3.232 -16.415
  365   1HD   PRO 561          2HD       PRO 561  -1.083  -1.172 -14.644
  366   2HD   PRO 561          1HD       PRO 561  -1.933  -2.711 -14.815
  367    H    LEU 562           H        LEU 562   1.357  -0.889 -13.072
  368    HA   LEU 562           HA       LEU 562   3.970  -1.595 -11.785
  369   1HB   LEU 562          2HB       LEU 562   5.019   0.422 -12.392
  370   2HB   LEU 562          1HB       LEU 562   4.330  -0.236 -13.852
  371    HG   LEU 562           HG       LEU 562   3.529   1.840 -14.144
  372   1HD1  LEU 562          2HD1      LEU 562   1.529   0.457 -13.210
  373   2HD1  LEU 562          1HD1      LEU 562   1.666   1.538 -11.841
  374   3HD1  LEU 562          3HD1      LEU 562   1.350   2.169 -13.448
  375   1HD2  LEU 562          2HD2      LEU 562   4.261   2.131 -11.273
  376   2HD2  LEU 562          1HD2      LEU 562   4.733   3.122 -12.654
  377   3HD2  LEU 562          3HD2      LEU 562   3.128   3.317 -11.936
  378    H    TRP 563           H        TRP 563   0.955  -0.612 -11.160
  379    HA   TRP 563           HA       TRP 563  -0.065   0.392  -9.329
  380   1HB   TRP 563          2HB       TRP 563   2.205  -0.655  -7.746
  381   2HB   TRP 563          1HB       TRP 563   0.477  -0.791  -7.478
  382    HD1  TRP 563           HD1      TRP 563   3.092  -2.151 -10.041
  383    HE1  TRP 563           HE1      TRP 563   2.477  -4.543 -10.709
  384    HE3  TRP 563           HE3      TRP 563  -1.392  -2.472  -7.684
  385    HZ2  TRP 563           HZ2      TRP 563   0.281  -6.318 -10.307
  386    HZ3  TRP 563           HZ3      TRP 563  -2.731  -4.535  -7.906
  387    HH2  TRP 563           HH2      TRP 563  -1.903  -6.443  -9.201
  388    H    TYR 564           H        TYR 564  -0.156   2.163  -7.778
  389    HA   TYR 564           HA       TYR 564   2.264   3.617  -7.000
  390   1HB   TYR 564          2HB       TYR 564   1.480   5.790  -8.043
  391   2HB   TYR 564          1HB       TYR 564   1.998   4.597  -9.231
  392    HD1  TYR 564           HD1      TYR 564  -1.042   3.770  -7.613
  393    HD2  TYR 564           HD2      TYR 564   0.512   6.016 -10.878
  394    HE1  TYR 564           HE1      TYR 564  -3.236   3.818  -8.529
  395    HE2  TYR 564           HE2      TYR 564  -1.783   6.106 -11.856
  396    HH   TYR 564           HH       TYR 564  -4.579   4.989 -10.080
  397    H    VAL 565           H        VAL 565   0.889   6.015  -6.065
  398    HA   VAL 565           HA       VAL 565  -1.699   5.652  -5.121
  399    HB   VAL 565           HB       VAL 565  -1.292   3.662  -3.980
  400   1HG1  VAL 565          2HG1      VAL 565   1.255   4.935  -2.974
  401   2HG1  VAL 565          1HG1      VAL 565   0.663   3.359  -2.468
  402   3HG1  VAL 565          3HG1      VAL 565   1.133   3.631  -4.143
  403   1HG2  VAL 565          1HG2      VAL 565  -0.987   5.908  -1.972
  404   2HG2  VAL 565          3HG2      VAL 565  -2.484   5.146  -2.503
  405   3HG2  VAL 565          2HG2      VAL 565  -1.324   4.236  -1.540
  406    H    THR 566           H        THR 566  -2.379   6.946  -3.405
  407    HA   THR 566           HA       THR 566  -0.608   8.794  -2.017
  408    HB   THR 566           HB       THR 566  -2.468   9.823  -4.192
  409    HG1  THR 566           HG1      THR 566  -0.627  10.515  -5.133
  410   1HG2  THR 566          1HG2      THR 566  -1.710  10.991  -1.685
  411   2HG2  THR 566          3HG2      THR 566  -0.921  11.888  -2.984
  412   3HG2  THR 566          2HG2      THR 566  -2.675  11.704  -2.978
  413    H    VAL 567           H        VAL 567  -1.856   7.445  -0.426
  414    HA   VAL 567           HA       VAL 567  -4.730   8.210  -0.216
  415    HB   VAL 567           HB       VAL 567  -3.490   6.203   1.616
  416   1HG1  VAL 567          2HG1      VAL 567  -6.090   7.055   0.852
  417   2HG1  VAL 567          1HG1      VAL 567  -5.895   5.410   0.247
  418   3HG1  VAL 567          3HG1      VAL 567  -5.669   5.750   1.962
  419   1HG2  VAL 567          1HG2      VAL 567  -3.684   5.974  -1.358
  420   2HG2  VAL 567          3HG2      VAL 567  -2.511   5.257  -0.253
  421   3HG2  VAL 567          2HG2      VAL 567  -4.127   4.564  -0.396
  422    H    THR 568           H        THR 568  -5.017   7.709   2.568
  423    HA   THR 568           HA       THR 568  -3.368   9.884   3.766
  424    HB   THR 568           HB       THR 568  -5.625  10.274   5.107
  425    HG1  THR 568           HG1      THR 568  -7.370   9.976   3.608
  426   1HG2  THR 568          3HG2      THR 568  -4.481  11.363   2.645
  427   2HG2  THR 568          2HG2      THR 568  -6.217  11.645   2.772
  428   3HG2  THR 568          1HG2      THR 568  -5.136  12.208   4.047
  429    H    LEU 569           H        LEU 569  -3.518   9.846   6.195
  430    HA   LEU 569           HA       LEU 569  -4.230   7.332   7.502
  431   1HB   LEU 569          2HB       LEU 569  -2.015   6.851   6.382
  432   2HB   LEU 569          1HB       LEU 569  -1.302   8.143   7.343
  433    HG   LEU 569           HG       LEU 569  -0.960   5.842   8.259
  434   1HD1  LEU 569          1HD1      LEU 569  -0.993   7.998   9.628
  435   2HD1  LEU 569          3HD1      LEU 569  -2.616   7.523  10.136
  436   3HD1  LEU 569          2HD1      LEU 569  -1.238   6.500  10.527
  437   1HD2  LEU 569          3HD2      LEU 569  -3.600   5.415   7.676
  438   2HD2  LEU 569          2HD2      LEU 569  -2.682   4.427   8.815
  439   3HD2  LEU 569          1HD2      LEU 569  -3.688   5.751   9.403
  440    HA   PRO 570           HA       PRO 570  -4.332  11.150  10.042
  441   1HB   PRO 570          2HB       PRO 570  -6.929  10.813  10.858
  442   2HB   PRO 570          1HB       PRO 570  -6.474  11.642   9.360
  443   1HG   PRO 570          2HG       PRO 570  -7.656   8.932   9.716
  444   2HG   PRO 570          1HG       PRO 570  -7.732  10.013   8.315
  445   1HD   PRO 570          2HD       PRO 570  -6.033   7.752   8.603
  446   2HD   PRO 570          1HD       PRO 570  -5.938   8.986   7.331
  447    H    ALA 571           H        ALA 571  -3.014  10.434  11.751
  448    HA   ALA 571           HA       ALA 571  -4.405   9.306  14.044
  449   1HB   ALA 571          3HB       ALA 571  -2.433   7.646  12.484
  450   2HB   ALA 571          2HB       ALA 571  -2.683   7.382  14.211
  451   3HB   ALA 571          1HB       ALA 571  -4.026   7.188  13.086
  452    H    GLY 572           H        GLY 572  -0.977   9.334  12.952
  453   1HA   GLY 572          2HA       GLY 572   0.691  10.909  13.691
  454   2HA   GLY 572          1HA       GLY 572  -0.411  11.446  14.956
  455    H    GLU 573           H        GLU 573   1.245   8.403  14.010
  456    HA   GLU 573           HA       GLU 573   2.547   8.210  16.602
  457   1HB   GLU 573          2HB       GLU 573  -0.057   7.276  16.561
  458   2HB   GLU 573          1HB       GLU 573   0.887   5.815  16.269
  459   1HG   GLU 573          2HG       GLU 573   2.077   6.030  18.292
  460   2HG   GLU 573          1HG       GLU 573   1.654   7.734  18.462
  461    H    SER 574           H        SER 574   3.222   5.578  16.707
  462    HA   SER 574           HA       SER 574   4.895   5.217  14.297
  463   1HB   SER 574          2HB       SER 574   5.432   4.631  16.844
  464   2HB   SER 574          1HB       SER 574   4.616   3.124  16.437
  465    HG   SER 574           HG       SER 574   6.859   3.019  16.014
  466    H    PHE 575           H        PHE 575   3.870   4.598  12.614
  467    HA   PHE 575           HA       PHE 575   1.703   2.551  12.762
  468   1HB   PHE 575          2HB       PHE 575   2.658   4.423  10.582
  469   2HB   PHE 575          1HB       PHE 575   1.252   3.377  10.493
  470    HD1  PHE 575           HD2      PHE 575   0.307   3.612  13.345
  471    HD2  PHE 575           HD1      PHE 575   1.655   6.584  10.554
  472    HE1  PHE 575           HE2      PHE 575  -0.960   5.340  14.580
  473    HE2  PHE 575           HE1      PHE 575   0.389   8.317  11.800
  474    HZ   PHE 575           HZ       PHE 575  -0.905   7.692  13.814
  475    H    GLU 576           H        GLU 576   2.152   0.523  11.952
  476    HA   GLU 576           HA       GLU 576   4.854  -0.106  11.031
  477   1HB   GLU 576          2HB       GLU 576   2.393  -1.833  11.265
  478   2HB   GLU 576          1HB       GLU 576   3.924  -2.416  10.650
  479   1HG   GLU 576          2HG       GLU 576   3.495  -2.825  13.135
  480   2HG   GLU 576          1HG       GLU 576   5.025  -2.052  12.726
  481    H    TYR 577           H        TYR 577   5.084  -1.268   8.839
  482    HA   TYR 577           HA       TYR 577   3.010  -0.329   6.974
  483   1HB   TYR 577          2HB       TYR 577   5.757   0.746   7.164
  484   2HB   TYR 577          1HB       TYR 577   5.136   0.452   5.534
  485    HD1  TYR 577           HD2      TYR 577   4.447   2.277   8.763
  486    HD2  TYR 577           HD1      TYR 577   3.344   1.712   4.624
  487    HE1  TYR 577           HE2      TYR 577   2.961   4.244   8.856
  488    HE2  TYR 577           HE1      TYR 577   1.858   3.686   4.760
  489    HH   TYR 577           HH       TYR 577   2.042   5.972   7.014
  490    H    LYS 578           H        LYS 578   2.801  -2.736   7.200
  491    HA   LYS 578           HA       LYS 578   4.726  -4.341   5.672
  492   1HB   LYS 578          2HB       LYS 578   2.553  -4.852   7.486
  493   2HB   LYS 578          1HB       LYS 578   2.217  -5.680   5.966
  494   1HG   LYS 578          2HG       LYS 578   3.581  -7.022   7.631
  495   2HG   LYS 578          1HG       LYS 578   4.319  -6.842   6.038
  496   1HD   LYS 578          2HD       LYS 578   6.118  -5.872   6.971
  497   2HD   LYS 578          1HD       LYS 578   5.092  -4.598   7.634
  498   1HE   LYS 578          2HE       LYS 578   5.394  -5.426   9.702
  499   2HE   LYS 578          1HE       LYS 578   4.681  -6.957   9.193
  500   1HZ   LYS 578          2HZ       LYS 578   7.295  -6.746   8.167
  501   2HZ   LYS 578          1HZ       LYS 578   7.334  -6.451   9.840
  502   3HZ   LYS 578          3HZ       LYS 578   6.669  -7.895   9.249
  503    H    PHE 579           H        PHE 579   4.649  -4.397   3.458
  504    HA   PHE 579           HA       PHE 579   2.279  -3.172   2.151
  505   1HB   PHE 579          2HB       PHE 579   4.621  -2.551   1.469
  506   2HB   PHE 579          1HB       PHE 579   4.846  -4.209   0.904
  507    HD1  PHE 579           HD1      PHE 579   2.850  -5.115  -0.590
  508    HD2  PHE 579           HD2      PHE 579   3.874  -0.982  -0.099
  509    HE1  PHE 579           HE1      PHE 579   1.693  -4.603  -2.669
  510    HE2  PHE 579           HE2      PHE 579   2.702  -0.464  -2.229
  511    HZ   PHE 579           HZ       PHE 579   1.611  -2.308  -3.477
  512    H    ILE 580           H        ILE 580   0.954  -4.203   0.801
  513    HA   ILE 580           HA       ILE 580   1.308  -7.123   0.604
  514    HB   ILE 580           HB       ILE 580  -1.003  -7.461   1.151
  515   1HG1  ILE 580          2HG1      ILE 580  -1.073  -4.603   0.409
  516   2HG1  ILE 580          1HG1      ILE 580  -2.271  -5.889   0.125
  517   1HG2  ILE 580          2HG2      ILE 580   0.228  -5.352   2.953
  518   2HG2  ILE 580          1HG2      ILE 580  -1.204  -6.291   3.386
  519   3HG2  ILE 580          3HG2      ILE 580   0.350  -7.099   3.146
  520   1HD1  ILE 580          2HD1      ILE 580  -2.459  -5.590   2.816
  521   2HD1  ILE 580          1HD1      ILE 580  -2.062  -3.943   2.328
  522   3HD1  ILE 580          3HD1      ILE 580  -3.482  -4.743   1.659
  523    H    ARG 581           H        ARG 581   0.607  -8.089  -1.286
  524    HA   ARG 581           HA       ARG 581  -0.136  -6.164  -3.435
  525   1HB   ARG 581          2HB       ARG 581   1.941  -7.218  -4.017
  526   2HB   ARG 581          1HB       ARG 581   1.347  -8.803  -3.523
  527   1HG   ARG 581          2HG       ARG 581  -0.101  -8.971  -5.384
  528   2HG   ARG 581          1HG       ARG 581  -0.008  -7.242  -5.721
  529   1HD   ARG 581          2HD       ARG 581   1.377  -8.291  -7.358
  530   2HD   ARG 581          1HD       ARG 581   2.482  -7.605  -6.167
  531    HE   ARG 581           HE       ARG 581   3.233  -9.804  -5.840
  532   1HH1  ARG 581          1HH2      ARG 581   0.207  -9.879  -7.403
  533   2HH1  ARG 581          2HH2      ARG 581  -0.132 -11.529  -6.998
  534   1HH2  ARG 581          2HH1      ARG 581   2.673 -11.891  -4.993
  535   2HH2  ARG 581          1HH1      ARG 581   1.265 -12.668  -5.633
  536    H    ILE 582           H        ILE 582  -2.325  -6.219  -3.499
  537    HA   ILE 582           HA       ILE 582  -3.761  -8.694  -2.934
  538    HB   ILE 582           HB       ILE 582  -4.486  -5.956  -3.011
  539   1HG1  ILE 582          2HG1      ILE 582  -5.060  -7.617  -1.307
  540   2HG1  ILE 582          1HG1      ILE 582  -6.536  -6.890  -1.956
  541   1HG2  ILE 582          1HG2      ILE 582  -5.909  -7.619  -5.089
  542   2HG2  ILE 582          3HG2      ILE 582  -6.826  -6.462  -4.134
  543   3HG2  ILE 582          2HG2      ILE 582  -5.495  -5.911  -5.133
  544   1HD1  ILE 582          3HD1      ILE 582  -6.208  -8.889  -3.733
  545   2HD1  ILE 582          2HD1      ILE 582  -5.474  -9.644  -2.303
  546   3HD1  ILE 582          1HD1      ILE 582  -7.148  -9.084  -2.243
  547    H    GLU 583           H        GLU 583  -4.884 -10.024  -4.345
  548    HA   GLU 583           HA       GLU 583  -3.959  -9.852  -7.169
  549   1HB   GLU 583          2HB       GLU 583  -3.468 -11.871  -5.547
  550   2HB   GLU 583          1HB       GLU 583  -5.109 -12.345  -5.988
  551   1HG   GLU 583          2HG       GLU 583  -4.560 -12.473  -8.303
  552   2HG   GLU 583          1HG       GLU 583  -3.030 -11.630  -8.061
  553    H    SER 584           H        SER 584  -5.497 -10.913  -8.747
  554    HA   SER 584           HA       SER 584  -8.182  -9.753  -8.343
  555   1HB   SER 584          2HB       SER 584  -7.157  -9.222 -10.457
  556   2HB   SER 584          1HB       SER 584  -6.757 -10.911 -10.755
  557    HG   SER 584           HG       SER 584  -8.605 -10.495 -11.884
  558    H    ASP 585           H        ASP 585  -6.628 -12.882  -8.408
  559    HA   ASP 585           HA       ASP 585  -9.287 -14.192  -8.494
  560   1HB   ASP 585          2HB       ASP 585  -7.411 -16.169  -8.674
  561   2HB   ASP 585          1HB       ASP 585  -8.225 -15.448 -10.051
  562    H    ASP 586           H        ASP 586  -6.164 -15.217  -7.099
  563    HA   ASP 586           HA       ASP 586  -7.374 -16.542  -4.891
  564   1HB   ASP 586          2HB       ASP 586  -5.115 -17.104  -5.545
  565   2HB   ASP 586          1HB       ASP 586  -4.569 -15.453  -5.249
  566    H    SER 587           H        SER 587  -5.026 -14.170  -3.908
  567    HA   SER 587           HA       SER 587  -6.933 -12.215  -2.949
  568   1HB   SER 587          2HB       SER 587  -5.592 -13.748  -0.740
  569   2HB   SER 587          1HB       SER 587  -6.968 -12.651  -0.654
  570    HG   SER 587           HG       SER 587  -8.248 -14.249  -1.161
  571    H    VAL 588           H        VAL 588  -5.138 -11.669  -0.552
  572    HA   VAL 588           HA       VAL 588  -3.220 -10.070  -2.063
  573    HB   VAL 588           HB       VAL 588  -2.880 -10.268   0.859
  574   1HG1  VAL 588          1HG1      VAL 588  -2.999  -8.120  -1.237
  575   2HG1  VAL 588          3HG1      VAL 588  -3.054  -7.711   0.479
  576   3HG1  VAL 588          2HG1      VAL 588  -1.658  -8.562  -0.176
  577   1HG2  VAL 588          2HG2      VAL 588  -5.415  -9.179  -0.364
  578   2HG2  VAL 588          1HG2      VAL 588  -5.267 -10.452   0.848
  579   3HG2  VAL 588          3HG2      VAL 588  -4.840  -8.795   1.261
  580    H    GLU 589           H        GLU 589  -1.028  -9.912  -1.295
  581    HA   GLU 589           HA       GLU 589   0.214 -12.433  -0.374
  582   1HB   GLU 589          2HB       GLU 589   0.764 -12.581  -2.682
  583   2HB   GLU 589          1HB       GLU 589   0.870 -10.826  -2.856
  584   1HG   GLU 589          2HG       GLU 589   3.026 -10.783  -2.207
  585   2HG   GLU 589          1HG       GLU 589   2.707 -11.860  -0.846
  586    H    TRP 590           H        TRP 590   0.032 -11.074   1.593
  587    HA   TRP 590           HA       TRP 590   1.013  -8.480   1.844
  588   1HB   TRP 590          2HB       TRP 590   0.836 -10.752   3.808
  589   2HB   TRP 590          1HB       TRP 590   1.454  -9.164   4.286
  590    HD1  TRP 590           HD1      TRP 590  -1.150  -9.445   1.594
  591    HE1  TRP 590           HE1      TRP 590  -3.340  -8.370   2.373
  592    HE3  TRP 590           HE3      TRP 590   0.004  -8.672   6.490
  593    HZ2  TRP 590           HZ2      TRP 590  -4.501  -7.384   4.875
  594    HZ3  TRP 590           HZ3      TRP 590  -1.663  -7.642   8.001
  595    HH2  TRP 590           HH2      TRP 590  -3.866  -7.020   7.249
  596    H    GLU 591           H        GLU 591   2.890  -8.147   0.655
  597    HA   GLU 591           HA       GLU 591   5.286  -9.711   1.077
  598   1HB   GLU 591          2HB       GLU 591   4.501  -7.865  -0.754
  599   2HB   GLU 591          1HB       GLU 591   5.626  -6.921   0.206
  600   1HG   GLU 591          2HG       GLU 591   6.160  -9.557  -1.195
  601   2HG   GLU 591          1HG       GLU 591   6.869  -7.990  -1.582
  602    H    SER 592           H        SER 592   5.487  -9.737   3.340
  603    HA   SER 592           HA       SER 592   5.644  -7.146   4.730
  604   1HB   SER 592          2HB       SER 592   4.202  -8.950   5.616
  605   2HB   SER 592          1HB       SER 592   5.621  -9.991   5.776
  606    HG   SER 592           HG       SER 592   5.506  -9.069   7.728
  607    H    ASP 593           H        ASP 593   7.742  -8.166   2.869
  608    HA   ASP 593           HA       ASP 593  10.011  -8.673   4.697
  609   1HB   ASP 593          2HB       ASP 593   9.515  -9.005   1.806
  610   2HB   ASP 593          1HB       ASP 593  11.127  -8.414   2.208
  611    HA   PRO 594           HA       PRO 594  11.347  -4.434   3.039
  612   1HB   PRO 594          2HB       PRO 594   9.962  -3.288   0.962
  613   2HB   PRO 594          1HB       PRO 594  11.347  -4.368   0.723
  614   1HG   PRO 594          2HG       PRO 594   8.432  -4.936   0.363
  615   2HG   PRO 594          1HG       PRO 594   9.824  -5.632  -0.483
  616   1HD   PRO 594          2HD       PRO 594   8.399  -6.901   1.569
  617   2HD   PRO 594          1HD       PRO 594  10.036  -7.329   1.024
  618    H    ASN 595           H        ASN 595  10.069  -4.180   5.143
  619    HA   ASN 595           HA       ASN 595   7.543  -2.637   4.752
  620   1HB   ASN 595          2HB       ASN 595   6.940  -3.261   6.992
  621   2HB   ASN 595          1HB       ASN 595   7.525  -4.723   6.197
  622   1HD2  ASN 595          2HD2      ASN 595   9.211  -4.164   9.583
  623   2HD2  ASN 595          1HD2      ASN 595   7.578  -4.079   9.127
  624    H    ARG 596           H        ARG 596   7.239  -0.989   6.666
  625    HA   ARG 596           HA       ARG 596   9.785   0.340   7.403
  626   1HB   ARG 596          2HB       ARG 596   7.710   1.430   5.540
  627   2HB   ARG 596          1HB       ARG 596   8.493   2.546   6.658
  628   1HG   ARG 596          2HG       ARG 596  10.184   0.641   5.072
  629   2HG   ARG 596          1HG       ARG 596   9.564   2.097   4.293
  630   1HD   ARG 596          2HD       ARG 596  10.808   2.420   6.983
  631   2HD   ARG 596          1HD       ARG 596  11.889   2.088   5.629
  632    HE   ARG 596           HE       ARG 596  10.028   4.188   4.955
  633   1HH1  ARG 596          1HH2      ARG 596  12.534   3.602   7.216
  634   2HH1  ARG 596          2HH2      ARG 596  13.320   5.124   6.957
  635   1HH2  ARG 596          2HH1      ARG 596  11.180   6.095   4.407
  636   2HH2  ARG 596          1HH1      ARG 596  12.553   6.535   5.366
  637    H    GLU 597           H        GLU 597   8.761   2.647   8.505
  638    HA   GLU 597           HA       GLU 597   6.479   1.900  10.238
  639   1HB   GLU 597          2HB       GLU 597   7.989   2.747  12.221
  640   2HB   GLU 597          1HB       GLU 597   8.117   1.071  11.685
  641   1HG   GLU 597          2HG       GLU 597  10.050   1.623  10.297
  642   2HG   GLU 597          1HG       GLU 597   9.896   3.329  10.720
  643    H    TYR 598           H        TYR 598   5.588   3.704   8.928
  644    HA   TYR 598           HA       TYR 598   6.690   6.324   8.976
  645   1HB   TYR 598          2HB       TYR 598   4.765   5.204   7.547
  646   2HB   TYR 598          1HB       TYR 598   3.744   5.856   8.830
  647    HD1  TYR 598           HD2      TYR 598   4.371   8.342   9.548
  648    HD2  TYR 598           HD1      TYR 598   5.205   6.548   5.739
  649    HE1  TYR 598           HE2      TYR 598   4.483  10.593   8.536
  650    HE2  TYR 598           HE1      TYR 598   5.346   8.805   4.712
  651    HH   TYR 598           HH       TYR 598   4.109  11.322   5.658
  652    H    THR 599           H        THR 599   7.224   6.828  11.156
  653    HA   THR 599           HA       THR 599   5.131   6.750  13.213
  654    HB   THR 599           HB       THR 599   7.506   8.413  13.738
  655    HG1  THR 599           HG1      THR 599   8.880   6.564  13.790
  656   1HG2  THR 599          2HG2      THR 599   5.657   7.035  15.210
  657   2HG2  THR 599          1HG2      THR 599   7.025   5.923  15.242
  658   3HG2  THR 599          3HG2      THR 599   7.217   7.574  15.829
  659    H    VAL 600           H        VAL 600   3.587   8.105  12.017
  660    HA   VAL 600           HA       VAL 600   4.334  10.785  11.249
  661    HB   VAL 600           HB       VAL 600   1.466  10.226  11.846
  662   1HG1  VAL 600          3HG1      VAL 600   3.140  11.910  10.195
  663   2HG1  VAL 600          2HG1      VAL 600   1.888  11.106   9.252
  664   3HG1  VAL 600          1HG1      VAL 600   1.440  12.109  10.633
  665   1HG2  VAL 600          3HG2      VAL 600   2.652   8.149  10.611
  666   2HG2  VAL 600          2HG2      VAL 600   1.068   8.740  10.125
  667   3HG2  VAL 600          1HG2      VAL 600   2.497   9.234   9.229
  668    HA   PRO 601           HA       PRO 601   4.069  12.390  15.389
  669   1HB   PRO 601          2HB       PRO 601   4.730  14.969  14.712
  670   2HB   PRO 601          1HB       PRO 601   5.920  13.665  14.868
  671   1HG   PRO 601          2HG       PRO 601   4.855  14.946  12.397
  672   2HG   PRO 601          1HG       PRO 601   6.404  14.126  12.658
  673   1HD   PRO 601          2HD       PRO 601   4.131  13.029  11.361
  674   2HD   PRO 601          1HD       PRO 601   5.573  12.136  11.889
  675    H    GLN 602           H        GLN 602   3.153  14.857  16.069
  676    HA   GLN 602           HA       GLN 602   0.334  14.678  15.864
  677   1HB   GLN 602          2HB       GLN 602   0.274  16.908  16.821
  678   2HB   GLN 602          1HB       GLN 602   1.600  16.020  17.573
  679   1HG   GLN 602          2HG       GLN 602   3.197  17.074  16.019
  680   2HG   GLN 602          1HG       GLN 602   1.875  17.959  15.256
  681   1HE2  GLN 602          2HE2      GLN 602   2.681  18.982  19.165
  682   2HE2  GLN 602          1HE2      GLN 602   2.724  17.346  18.716
  683    H    ALA 603           H        ALA 603   2.644  15.825  13.594
  684    HA   ALA 603           HA       ALA 603   2.334  16.610  11.400
  685   1HB   ALA 603          3HB       ALA 603  -0.106  15.301  12.052
  686   2HB   ALA 603          2HB       ALA 603  -0.527  16.825  11.271
  687   3HB   ALA 603          1HB       ALA 603   0.524  15.674  10.447
  688    H    CYS 604           H        CYS 604   3.079  18.711  11.717
  689    HA   CYS 604           HA       CYS 604   0.961  20.769  12.068
  690   1HB   CYS 604          2HB       CYS 604   2.309  20.244  14.242
  691   2HB   CYS 604          1HB       CYS 604   3.623  21.104  13.438
  692    H    GLY 605           H        GLY 605   1.249  21.065   9.760
  693   1HA   GLY 605          2HA       GLY 605   2.352  23.054   8.564
  694   2HA   GLY 605          1HA       GLY 605   3.875  22.281   9.007
  695    H    THR 606           H        THR 606   3.732  19.747   8.389
  696    HA   THR 606           HA       THR 606   2.985  19.717   5.499
  697    HB   THR 606           HB       THR 606   4.530  17.508   5.809
  698    HG1  THR 606           HG1      THR 606   5.332  17.634   7.747
  699   1HG2  THR 606          2HG2      THR 606   5.214  20.384   5.255
  700   2HG2  THR 606          1HG2      THR 606   6.475  19.150   5.231
  701   3HG2  THR 606          3HG2      THR 606   5.105  19.033   4.126
  702    H    SER 607           H        SER 607   3.510  16.996   7.717
  703    HA   SER 607           HA       SER 607   2.054  15.285   8.406
  704   1HB   SER 607          2HB       SER 607  -0.310  16.685   7.220
  705   2HB   SER 607          1HB       SER 607  -0.190  15.770   8.719
  706    HG   SER 607           HG       SER 607   0.119  18.411   8.292
  707    H    THR 608           H        THR 608   3.247  15.541   5.668
  708    HA   THR 608           HA       THR 608   1.803  13.294   4.452
  709    HB   THR 608           HB       THR 608   0.957  14.333   2.553
  710    HG1  THR 608           HG1      THR 608   2.611  16.582   2.907
  711   1HG2  THR 608          3HG2      THR 608   0.978  16.536   4.626
  712   2HG2  THR 608          2HG2      THR 608   0.043  16.609   3.135
  713   3HG2  THR 608          1HG2      THR 608  -0.303  15.361   4.329
  714    H    ALA 609           H        ALA 609   3.401  12.000   3.708
  715    HA   ALA 609           HA       ALA 609   5.792  13.338   2.492
  716   1HB   ALA 609          3HB       ALA 609   6.105  12.577   4.972
  717   2HB   ALA 609          2HB       ALA 609   6.202  10.959   4.277
  718   3HB   ALA 609          1HB       ALA 609   7.359  12.198   3.791
  719    H    THR 610           H        THR 610   7.303  11.090   1.938
  720    HA   THR 610           HA       THR 610   5.545   9.703  -0.039
  721    HB   THR 610           HB       THR 610   7.675   9.135  -1.183
  722    HG1  THR 610           HG1      THR 610   9.110   9.098   0.478
  723   1HG2  THR 610          3HG2      THR 610   6.363  11.471  -1.275
  724   2HG2  THR 610          2HG2      THR 610   7.913  12.061  -0.674
  725   3HG2  THR 610          1HG2      THR 610   7.835  11.188  -2.205
  726    H    VAL 611           H        VAL 611   6.358   7.467  -0.575
  727    HA   VAL 611           HA       VAL 611   7.360   5.879   1.684
  728    HB   VAL 611           HB       VAL 611   4.685   5.083   0.683
  729   1HG1  VAL 611          1HG1      VAL 611   6.363   4.624   2.999
  730   2HG1  VAL 611          3HG1      VAL 611   4.747   5.157   3.499
  731   3HG1  VAL 611          2HG1      VAL 611   4.944   3.711   2.480
  732   1HG2  VAL 611          2HG2      VAL 611   4.457   7.540   1.086
  733   2HG2  VAL 611          1HG2      VAL 611   3.408   6.533   2.103
  734   3HG2  VAL 611          3HG2      VAL 611   4.901   7.220   2.771
  735    H    THR 612           H        THR 612   8.871   5.552  -0.240
  736    HA   THR 612           HA       THR 612   7.816   4.348  -2.656
  737    HB   THR 612           HB       THR 612  10.460   3.834  -2.806
  738    HG1  THR 612           HG1      THR 612  11.171   6.028  -1.857
  739   1HG2  THR 612          2HG2      THR 612   8.883   6.326  -3.373
  740   2HG2  THR 612          1HG2      THR 612  10.551   6.111  -3.909
  741   3HG2  THR 612          3HG2      THR 612   9.296   5.004  -4.469
  742    H    ASP 613           H        ASP 613   7.942   2.349  -3.443
  743    HA   ASP 613           HA       ASP 613   9.415   0.256  -2.157
  744   1HB   ASP 613          2HB       ASP 613   6.494   0.537  -1.625
  745   2HB   ASP 613          1HB       ASP 613   7.100  -1.092  -1.928
  746    H    THR 614           H        THR 614   9.103  -1.867  -3.388
  747    HA   THR 614           HA       THR 614   7.576  -1.775  -5.856
  748    HB   THR 614           HB       THR 614   9.116  -0.662  -7.055
  749    HG1  THR 614           HG1      THR 614   9.493  -2.539  -8.035
  750   1HG2  THR 614          1HG2      THR 614  10.914  -1.325  -4.759
  751   2HG2  THR 614          3HG2      THR 614  11.652  -0.825  -6.282
  752   3HG2  THR 614          2HG2      THR 614  10.517   0.245  -5.458
  753    H    TRP 615           H        TRP 615   7.311  -3.735  -6.758
  754    HA   TRP 615           HA       TRP 615   7.857  -5.992  -5.080
  755   1HB   TRP 615          2HB       TRP 615   6.265  -5.402  -7.446
  756   2HB   TRP 615          1HB       TRP 615   6.965  -7.026  -7.485
  757    HD1  TRP 615           HD1      TRP 615   4.694  -8.217  -6.832
  758    HE1  TRP 615           HE1      TRP 615   3.466  -8.458  -4.560
  759    HE3  TRP 615           HE3      TRP 615   6.940  -4.508  -4.289
  760    HZ2  TRP 615           HZ2      TRP 615   3.450  -7.172  -2.037
  761    HZ3  TRP 615           HZ3      TRP 615   6.345  -4.011  -1.968
  762    HH2  TRP 615           HH2      TRP 615   4.627  -5.335  -0.829
  763    H    ARG 616           H        ARG 616   9.072  -7.805  -5.441
  764    HA   ARG 616           HA       ARG 616  11.440  -7.343  -7.197
  765   1HB   ARG 616          2HB       ARG 616  12.561  -9.012  -5.864
  766   2HB   ARG 616          1HB       ARG 616  11.727  -7.927  -4.751
  767   1HG   ARG 616          2HG       ARG 616   9.799  -9.550  -4.734
  768   2HG   ARG 616          1HG       ARG 616  10.802 -10.663  -5.665
  769   1HD   ARG 616          2HD       ARG 616  11.168 -11.347  -3.442
  770   2HD   ARG 616          1HD       ARG 616  12.555 -10.311  -3.778
  771    HE   ARG 616           HE       ARG 616  10.193  -9.515  -2.140
  772   1HH1  ARG 616          1HH2      ARG 616  10.716  -7.006  -2.357
  773   2HH1  ARG 616          2HH2      ARG 616  12.262  -6.631  -1.673
  774   1HH2  ARG 616          1HH1      ARG 616  13.355  -9.922  -1.668
  775   2HH2  ARG 616          2HH1      ARG 616  13.756  -8.281  -1.283
   
  No H/Q in entry =         775
  Start of MODEL    4
    1   1H    CYS 509          2H        CYS 509 -20.162 -16.638   5.020
    2   2H    CYS 509          1H        CYS 509 -21.041 -15.329   5.653
    3   3H    CYS 509          3H        CYS 509 -21.860 -16.652   4.979
    4    HA   CYS 509           HA       CYS 509 -21.476 -16.022   2.845
    5   1HB   CYS 509          2HB       CYS 509 -22.512 -14.116   4.386
    6   2HB   CYS 509          1HB       CYS 509 -21.024 -13.276   3.948
    7    H    THR 510           H        THR 510 -19.021 -17.017   3.590
    8    HA   THR 510           HA       THR 510 -16.793 -16.947   2.844
    9    HB   THR 510           HB       THR 510 -16.936 -14.321   1.539
   10    HG1  THR 510           HG1      THR 510 -18.584 -14.719   0.241
   11   1HG2  THR 510          1HG2      THR 510 -15.456 -16.588   1.283
   12   2HG2  THR 510          3HG2      THR 510 -16.640 -16.830  -0.001
   13   3HG2  THR 510          2HG2      THR 510 -15.629 -15.385   0.005
   14    H    THR 511           H        THR 511 -15.918 -16.614   4.915
   15    HA   THR 511           HA       THR 511 -14.785 -15.449   6.605
   16    HB   THR 511           HB       THR 511 -14.261 -12.944   5.375
   17    HG1  THR 511           HG1      THR 511 -13.265 -14.148   3.431
   18   1HG2  THR 511          2HG2      THR 511 -12.868 -14.783   6.731
   19   2HG2  THR 511          1HG2      THR 511 -12.356 -15.222   5.101
   20   3HG2  THR 511          3HG2      THR 511 -12.076 -13.588   5.704
   21    HA   PRO 512           HA       PRO 512 -17.512 -12.592   8.517
   22   1HB   PRO 512          2HB       PRO 512 -15.806 -10.866   9.808
   23   2HB   PRO 512          1HB       PRO 512 -16.089 -12.536  10.330
   24   1HG   PRO 512          2HG       PRO 512 -13.715 -11.380   8.946
   25   2HG   PRO 512          1HG       PRO 512 -13.816 -12.794  10.009
   26   1HD   PRO 512          2HD       PRO 512 -13.665 -12.848   7.180
   27   2HD   PRO 512          1HD       PRO 512 -14.084 -14.217   8.232
   28    H    THR 513           H        THR 513 -14.989 -10.156   8.070
   29    HA   THR 513           HA       THR 513 -16.434  -8.880   5.843
   30    HB   THR 513           HB       THR 513 -17.040  -6.893   6.974
   31    HG1  THR 513           HG1      THR 513 -15.474  -7.856   9.134
   32   1HG2  THR 513          3HG2      THR 513 -17.491  -9.181   8.911
   33   2HG2  THR 513          2HG2      THR 513 -18.375  -7.655   8.916
   34   3HG2  THR 513          1HG2      THR 513 -18.528  -8.758   7.549
   35    H    ALA 514           H        ALA 514 -13.682  -9.954   6.674
   36    HA   ALA 514           HA       ALA 514 -11.950  -7.600   6.651
   37   1HB   ALA 514          2HB       ALA 514 -11.544 -10.064   7.587
   38   2HB   ALA 514          1HB       ALA 514 -10.917 -10.313   5.957
   39   3HB   ALA 514          3HB       ALA 514 -10.209  -9.076   6.995
   40    H    VAL 515           H        VAL 515 -11.112  -6.610   4.834
   41    HA   VAL 515           HA       VAL 515 -11.876  -7.796   2.225
   42    HB   VAL 515           HB       VAL 515 -10.763  -5.061   2.743
   43   1HG1  VAL 515          3HG1      VAL 515 -10.513  -6.246   0.452
   44   2HG1  VAL 515          2HG1      VAL 515 -12.262  -6.108   0.338
   45   3HG1  VAL 515          1HG1      VAL 515 -11.271  -4.651   0.463
   46   1HG2  VAL 515          3HG2      VAL 515 -12.943  -5.469   3.864
   47   2HG2  VAL 515          2HG2      VAL 515 -13.088  -4.324   2.531
   48   3HG2  VAL 515          1HG2      VAL 515 -13.609  -5.997   2.322
   49    H    ALA 516           H        ALA 516 -10.224  -9.365   1.929
   50    HA   ALA 516           HA       ALA 516  -7.426  -8.552   2.173
   51   1HB   ALA 516          3HB       ALA 516  -8.125 -10.934   2.516
   52   2HB   ALA 516          2HB       ALA 516  -8.596 -11.005   0.818
   53   3HB   ALA 516          1HB       ALA 516  -6.902 -10.763   1.253
   54    H    VAL 517           H        VAL 517  -6.864  -6.953   0.686
   55    HA   VAL 517           HA       VAL 517  -7.844  -7.406  -2.101
   56    HB   VAL 517           HB       VAL 517  -6.527  -4.849  -1.616
   57   1HG1  VAL 517          1HG1      VAL 517  -7.828  -5.410  -3.603
   58   2HG1  VAL 517          3HG1      VAL 517  -9.268  -5.638  -2.607
   59   3HG1  VAL 517          2HG1      VAL 517  -8.543  -4.027  -2.757
   60   1HG2  VAL 517          2HG2      VAL 517  -7.681  -5.281   0.636
   61   2HG2  VAL 517          1HG2      VAL 517  -8.074  -3.780  -0.218
   62   3HG2  VAL 517          3HG2      VAL 517  -9.198  -5.144  -0.258
   63    H    THR 518           H        THR 518  -6.280  -7.513  -3.735
   64    HA   THR 518           HA       THR 518  -3.474  -7.762  -2.782
   65    HB   THR 518           HB       THR 518  -3.062  -9.050  -4.787
   66    HG1  THR 518           HG1      THR 518  -4.501  -9.127  -6.434
   67   1HG2  THR 518          3HG2      THR 518  -4.868  -9.823  -2.831
   68   2HG2  THR 518          2HG2      THR 518  -5.711 -10.204  -4.332
   69   3HG2  THR 518          1HG2      THR 518  -4.118 -10.892  -4.017
   70    H    PHE 519           H        PHE 519  -1.953  -6.280  -3.559
   71    HA   PHE 519           HA       PHE 519  -2.926  -4.406  -5.661
   72   1HB   PHE 519          2HB       PHE 519  -1.029  -3.260  -3.682
   73   2HB   PHE 519          1HB       PHE 519  -2.346  -2.500  -4.520
   74    HD1  PHE 519           HD2      PHE 519  -2.031  -5.319  -2.019
   75    HD2  PHE 519           HD1      PHE 519  -3.990  -1.682  -3.165
   76    HE1  PHE 519           HE2      PHE 519  -3.467  -5.456  -0.006
   77    HE2  PHE 519           HE1      PHE 519  -5.421  -1.832  -1.157
   78    HZ   PHE 519           HZ       PHE 519  -5.157  -3.707   0.398
   79    H    ASP 520           H        ASP 520  -1.201  -3.379  -6.867
   80    HA   ASP 520           HA       ASP 520   1.353  -4.909  -6.809
   81   1HB   ASP 520          2HB       ASP 520  -0.481  -4.206  -9.072
   82   2HB   ASP 520          1HB       ASP 520   1.252  -4.161  -9.379
   83    H    LEU 521           H        LEU 521   3.219  -3.568  -7.484
   84    HA   LEU 521           HA       LEU 521   2.814  -0.676  -7.787
   85   1HB   LEU 521          2HB       LEU 521   2.480  -1.216  -5.337
   86   2HB   LEU 521          1HB       LEU 521   4.151  -1.751  -5.298
   87    HG   LEU 521           HG       LEU 521   4.357   0.406  -4.581
   88   1HD1  LEU 521          1HD1      LEU 521   5.778   0.103  -6.591
   89   2HD1  LEU 521          3HD1      LEU 521   4.494   0.806  -7.569
   90   3HD1  LEU 521          2HD1      LEU 521   5.308   1.786  -6.354
   91   1HD2  LEU 521          1HD2      LEU 521   1.783   0.701  -5.559
   92   2HD2  LEU 521          3HD2      LEU 521   2.699   1.957  -4.719
   93   3HD2  LEU 521          2HD2      LEU 521   2.702   1.882  -6.484
   94    H    THR 522           H        THR 522   4.239  -0.645  -9.561
   95    HA   THR 522           HA       THR 522   6.800  -2.078  -9.276
   96    HB   THR 522           HB       THR 522   6.430  -0.139 -11.505
   97    HG1  THR 522           HG1      THR 522   5.128  -1.920 -12.484
   98   1HG2  THR 522          3HG2      THR 522   8.292  -1.958 -11.064
   99   2HG2  THR 522          2HG2      THR 522   7.090  -3.051 -11.751
  100   3HG2  THR 522          1HG2      THR 522   7.685  -1.687 -12.698
  101    H    ALA 523           H        ALA 523   8.490  -1.269  -8.179
  102    HA   ALA 523           HA       ALA 523   9.403   1.474  -8.641
  103   1HB   ALA 523          2HB       ALA 523   7.558   1.312  -6.694
  104   2HB   ALA 523          1HB       ALA 523   8.992   0.917  -5.754
  105   3HB   ALA 523          3HB       ALA 523   8.902   2.462  -6.626
  106    H    THR 524           H        THR 524  10.820   1.198  -5.947
  107    HA   THR 524           HA       THR 524  12.853  -0.866  -6.754
  108    HB   THR 524           HB       THR 524  13.574   1.462  -7.280
  109    HG1  THR 524           HG1      THR 524  14.925  -0.322  -6.099
  110   1HG2  THR 524          3HG2      THR 524  12.190   1.858  -4.890
  111   2HG2  THR 524          2HG2      THR 524  13.874   2.271  -4.527
  112   3HG2  THR 524          1HG2      THR 524  13.027   3.096  -5.840
  113    H    THR 525           H        THR 525  13.967  -1.834  -4.979
  114    HA   THR 525           HA       THR 525  12.561  -2.426  -2.636
  115    HB   THR 525           HB       THR 525  14.585  -3.543  -3.834
  116    HG1  THR 525           HG1      THR 525  13.636  -3.635  -1.287
  117   1HG2  THR 525          1HG2      THR 525  16.114  -1.604  -3.253
  118   2HG2  THR 525          3HG2      THR 525  16.066  -2.178  -1.589
  119   3HG2  THR 525          2HG2      THR 525  16.718  -3.204  -2.849
  120    H    THR 526           H        THR 526  14.539  -2.158  -0.533
  121    HA   THR 526           HA       THR 526  13.755   0.374   0.480
  122    HB   THR 526           HB       THR 526  14.773  -1.760   1.761
  123    HG1  THR 526           HG1      THR 526  13.751   0.140   2.621
  124   1HG2  THR 526          1HG2      THR 526  17.083  -0.824   0.682
  125   2HG2  THR 526          3HG2      THR 526  17.045   0.076   2.201
  126   3HG2  THR 526          2HG2      THR 526  17.007  -1.688   2.218
  127    H    TYR 527           H        TYR 527  15.879  -0.346  -1.883
  128    HA   TYR 527           HA       TYR 527  18.165   1.080  -1.879
  129   1HB   TYR 527          2HB       TYR 527  16.361   0.145  -3.779
  130   2HB   TYR 527          1HB       TYR 527  16.389   1.874  -4.092
  131    HD1  TYR 527           HD2      TYR 527  18.984   2.878  -3.972
  132    HD2  TYR 527           HD1      TYR 527  17.769  -1.116  -4.932
  133    HE1  TYR 527           HE2      TYR 527  21.132   2.503  -5.172
  134    HE2  TYR 527           HE1      TYR 527  19.880  -1.516  -6.111
  135    HH   TYR 527           HH       TYR 527  22.337   1.084  -6.386
  136    H    GLY 528           H        GLY 528  14.865   2.329  -1.790
  137   1HA   GLY 528          2HA       GLY 528  15.509   4.715  -0.430
  138   2HA   GLY 528          1HA       GLY 528  15.424   5.101  -2.146
  139    H    GLU 529           H        GLU 529  13.286   2.578  -0.743
  140    HA   GLU 529           HA       GLU 529  11.081   4.247  -0.087
  141   1HB   GLU 529          2HB       GLU 529   9.806   3.855  -2.338
  142   2HB   GLU 529          1HB       GLU 529  10.956   5.184  -2.215
  143   1HG   GLU 529          2HG       GLU 529  12.644   3.954  -3.363
  144   2HG   GLU 529          1HG       GLU 529  11.740   2.447  -3.211
  145    H    ASN 530           H        ASN 530   9.256   3.098   0.573
  146    HA   ASN 530           HA       ASN 530   9.042   0.207  -0.155
  147   1HB   ASN 530          2HB       ASN 530   9.693   0.426   2.231
  148   2HB   ASN 530          1HB       ASN 530   8.322   1.499   2.461
  149   1HD2  ASN 530          2HD2      ASN 530   5.937  -1.263   2.127
  150   2HD2  ASN 530          1HD2      ASN 530   6.115   0.341   1.617
  151    H    ILE 531           H        ILE 531   6.733  -0.539  -0.474
  152    HA   ILE 531           HA       ILE 531   5.202   1.990  -0.771
  153    HB   ILE 531           HB       ILE 531   4.118   0.064  -2.585
  154   1HG1  ILE 531          2HG1      ILE 531   6.721  -0.509  -2.402
  155   2HG1  ILE 531          1HG1      ILE 531   5.907  -0.441  -3.957
  156   1HG2  ILE 531          3HG2      ILE 531   5.431   2.774  -2.712
  157   2HG2  ILE 531          2HG2      ILE 531   4.762   2.007  -4.133
  158   3HG2  ILE 531          1HG2      ILE 531   3.708   2.415  -2.789
  159   1HD1  ILE 531          1HD1      ILE 531   7.400   1.893  -2.696
  160   2HD1  ILE 531          3HD1      ILE 531   8.043   0.823  -3.980
  161   3HD1  ILE 531          2HD1      ILE 531   6.632   1.858  -4.313
  162    H    TYR 532           H        TYR 532   4.032   2.191   0.739
  163    HA   TYR 532           HA       TYR 532   2.504  -0.051   1.849
  164   1HB   TYR 532          2HB       TYR 532   3.469   2.583   2.625
  165   2HB   TYR 532          1HB       TYR 532   1.888   2.143   3.271
  166    HD1  TYR 532           HD2      TYR 532   5.459   1.218   3.008
  167    HD2  TYR 532           HD1      TYR 532   1.570   0.363   4.744
  168    HE1  TYR 532           HE2      TYR 532   6.555  -0.087   4.851
  169    HE2  TYR 532           HE1      TYR 532   2.694  -0.941   6.583
  170    HH   TYR 532           HH       TYR 532   4.648  -1.897   7.230
  171    H    LEU 533           H        LEU 533   0.317   0.501   2.594
  172    HA   LEU 533           HA       LEU 533  -1.023   2.307   0.748
  173   1HB   LEU 533          2HB       LEU 533  -1.220  -0.423   0.514
  174   2HB   LEU 533          1HB       LEU 533  -2.645  -0.020   1.466
  175    HG   LEU 533           HG       LEU 533  -3.372   0.138  -0.777
  176   1HD1  LEU 533          3HD1      LEU 533  -3.815   2.163   0.719
  177   2HD1  LEU 533          2HD1      LEU 533  -2.519   2.973  -0.166
  178   3HD1  LEU 533          1HD1      LEU 533  -3.966   2.436  -1.019
  179   1HD2  LEU 533          3HD2      LEU 533  -0.597   1.054  -1.199
  180   2HD2  LEU 533          2HD2      LEU 533  -1.653   0.132  -2.272
  181   3HD2  LEU 533          1HD2      LEU 533  -1.798   1.889  -2.185
  182    H    VAL 534           H        VAL 534  -0.931   3.750   2.593
  183    HA   VAL 534           HA       VAL 534  -2.519   3.005   4.935
  184    HB   VAL 534           HB       VAL 534  -0.421   4.641   4.736
  185   1HG1  VAL 534          2HG1      VAL 534  -2.726   6.510   4.367
  186   2HG1  VAL 534          1HG1      VAL 534  -1.199   6.969   5.113
  187   3HG1  VAL 534          3HG1      VAL 534  -1.232   6.434   3.418
  188   1HG2  VAL 534          2HG2      VAL 534  -2.561   4.497   6.649
  189   2HG2  VAL 534          1HG2      VAL 534  -0.842   4.666   6.904
  190   3HG2  VAL 534          3HG2      VAL 534  -1.811   6.118   6.605
  191    H    GLY 535           H        GLY 535  -4.546   2.619   4.282
  192   1HA   GLY 535          2HA       GLY 535  -6.079   4.615   2.651
  193   2HA   GLY 535          1HA       GLY 535  -6.557   2.928   2.855
  194    H    SER 536           H        SER 536  -8.213   5.308   3.609
  195    HA   SER 536           HA       SER 536  -7.972   5.914   6.456
  196   1HB   SER 536          2HB       SER 536  -9.061   7.454   4.906
  197   2HB   SER 536          1HB       SER 536 -10.388   6.327   4.678
  198    HG   SER 536           HG       SER 536 -11.186   7.082   6.446
  199    H    ILE 537           H        ILE 537  -7.924   3.722   7.296
  200    HA   ILE 537           HA       ILE 537 -10.411   3.187   8.435
  201    HB   ILE 537           HB       ILE 537  -9.466   1.396   6.340
  202   1HG1  ILE 537          2HG1      ILE 537 -11.791   2.773   7.192
  203   2HG1  ILE 537          1HG1      ILE 537 -11.606   1.792   5.751
  204   1HG2  ILE 537          1HG2      ILE 537  -9.021   0.121   8.531
  205   2HG2  ILE 537          3HG2      ILE 537 -10.763   0.139   8.772
  206   3HG2  ILE 537          2HG2      ILE 537 -10.076  -0.668   7.367
  207   1HD1  ILE 537          1HD1      ILE 537 -12.125  -0.216   7.273
  208   2HD1  ILE 537          3HD1      ILE 537 -12.649   0.969   8.466
  209   3HD1  ILE 537          2HD1      ILE 537 -13.467   0.864   6.906
  210    H    SER 538           H        SER 538 -10.234   1.356  10.104
  211    HA   SER 538           HA       SER 538  -8.075   2.249  11.802
  212   1HB   SER 538          2HB       SER 538 -10.448   0.971  12.282
  213   2HB   SER 538          1HB       SER 538  -9.306  -0.346  12.528
  214    HG   SER 538           HG       SER 538  -8.686   2.139  13.630
  215    H    GLN 539           H        GLN 539  -8.581  -1.054  10.530
  216    HA   GLN 539           HA       GLN 539  -5.965  -1.973  11.207
  217   1HB   GLN 539          2HB       GLN 539  -8.114  -3.274  10.308
  218   2HB   GLN 539          1HB       GLN 539  -7.350  -2.988   8.744
  219   1HG   GLN 539          2HG       GLN 539  -5.708  -4.077  11.011
  220   2HG   GLN 539          1HG       GLN 539  -6.754  -5.163  10.095
  221   1HE2  GLN 539          2HE2      GLN 539  -4.908  -4.527   6.989
  222   2HE2  GLN 539          1HE2      GLN 539  -6.519  -4.600   7.520
  223    H    LEU 540           H        LEU 540  -7.214   0.167   8.897
  224    HA   LEU 540           HA       LEU 540  -4.635   0.337   7.511
  225   1HB   LEU 540          2HB       LEU 540  -6.896  -0.467   6.304
  226   2HB   LEU 540          1HB       LEU 540  -7.071   1.280   6.152
  227    HG   LEU 540           HG       LEU 540  -4.561   1.139   5.348
  228   1HD1  LEU 540          1HD1      LEU 540  -4.503  -1.343   5.867
  229   2HD1  LEU 540          3HD1      LEU 540  -5.602  -1.569   4.506
  230   3HD1  LEU 540          2HD1      LEU 540  -3.988  -0.904   4.236
  231   1HD2  LEU 540          1HD2      LEU 540  -6.824   1.685   4.107
  232   2HD2  LEU 540          3HD2      LEU 540  -5.377   1.334   3.154
  233   3HD2  LEU 540          2HD2      LEU 540  -6.594   0.083   3.401
  234    H    GLY 541           H        GLY 541  -4.758   1.707   9.739
  235   1HA   GLY 541          2HA       GLY 541  -6.087   3.897  10.393
  236   2HA   GLY 541          1HA       GLY 541  -4.334   4.009  10.320
  237    H    ASP 542           H        ASP 542  -3.839   3.981   7.742
  238    HA   ASP 542           HA       ASP 542  -3.901   5.212   5.670
  239   1HB   ASP 542          2HB       ASP 542  -6.467   5.439   6.150
  240   2HB   ASP 542          1HB       ASP 542  -6.017   7.021   6.641
  241    H    TRP 543           H        TRP 543  -4.369   6.786   8.646
  242    HA   TRP 543           HA       TRP 543  -2.782   9.026   7.670
  243   1HB   TRP 543          2HB       TRP 543  -4.986   9.161   9.697
  244   2HB   TRP 543          1HB       TRP 543  -4.283  10.456   8.734
  245    HD1  TRP 543           HD1      TRP 543  -7.345   8.448   8.712
  246    HE1  TRP 543           HE1      TRP 543  -8.434   8.319   6.438
  247    HE3  TRP 543           HE3      TRP 543  -3.453   9.944   5.786
  248    HZ2  TRP 543           HZ2      TRP 543  -7.772   8.723   3.708
  249    HZ3  TRP 543           HZ3      TRP 543  -3.730  10.091   3.332
  250    HH2  TRP 543           HH2      TRP 543  -5.894   9.475   2.286
  251    H    GLU 544           H        GLU 544  -1.952   6.681   8.828
  252    HA   GLU 544           HA       GLU 544  -0.076   7.533  10.778
  253   1HB   GLU 544          2HB       GLU 544  -2.112   7.239  12.288
  254   2HB   GLU 544          1HB       GLU 544  -2.157   5.559  11.758
  255   1HG   GLU 544          2HG       GLU 544  -0.115   5.035  12.776
  256   2HG   GLU 544          1HG       GLU 544   0.370   6.729  12.885
  257    H    THR 545           H        THR 545   1.207   6.594   9.154
  258    HA   THR 545           HA       THR 545   0.698   4.277   7.749
  259    HB   THR 545           HB       THR 545   3.123   4.046   7.426
  260    HG1  THR 545           HG1      THR 545   4.382   4.320   9.049
  261   1HG2  THR 545          3HG2      THR 545   1.826   6.328   6.873
  262   2HG2  THR 545          2HG2      THR 545   3.062   6.972   7.948
  263   3HG2  THR 545          1HG2      THR 545   3.527   6.108   6.482
  264    H    SER 546           H        SER 546   1.299   4.555  11.159
  265    HA   SER 546           HA       SER 546   2.605   2.248  11.930
  266   1HB   SER 546          2HB       SER 546   0.048   3.219  13.222
  267   2HB   SER 546          1HB       SER 546   1.361   2.335  13.993
  268    HG   SER 546           HG       SER 546   2.712   4.151  13.447
  269    H    ASP 547           H        ASP 547  -0.464   2.400  10.300
  270    HA   ASP 547           HA       ASP 547  -0.525  -0.547  10.299
  271   1HB   ASP 547          2HB       ASP 547  -2.645   1.214  11.510
  272   2HB   ASP 547          1HB       ASP 547  -3.050  -0.375  10.857
  273    H    GLY 548           H        GLY 548   0.043   1.001   8.031
  274   1HA   GLY 548          2HA       GLY 548  -2.506   1.303   6.567
  275   2HA   GLY 548          1HA       GLY 548  -0.901   1.745   5.963
  276    H    ILE 549           H        ILE 549  -0.364   0.433   4.306
  277    HA   ILE 549           HA       ILE 549  -0.459  -2.447   4.777
  278    HB   ILE 549           HB       ILE 549  -2.299  -1.081   2.917
  279   1HG1  ILE 549          2HG1      ILE 549  -2.288  -3.817   4.206
  280   2HG1  ILE 549          1HG1      ILE 549  -3.036  -2.373   4.883
  281   1HG2  ILE 549          2HG2      ILE 549  -0.798  -3.567   2.084
  282   2HG2  ILE 549          1HG2      ILE 549  -2.407  -3.171   1.458
  283   3HG2  ILE 549          3HG2      ILE 549  -1.045  -2.092   1.156
  284   1HD1  ILE 549          1HD1      ILE 549  -4.427  -2.203   2.783
  285   2HD1  ILE 549          3HD1      ILE 549  -3.772  -3.761   2.292
  286   3HD1  ILE 549          2HD1      ILE 549  -4.763  -3.643   3.745
  287    H    ALA 550           H        ALA 550   1.733  -2.381   4.789
  288    HA   ALA 550           HA       ALA 550   3.462  -1.235   2.869
  289   1HB   ALA 550          2HB       ALA 550   3.761  -2.620   5.205
  290   2HB   ALA 550          1HB       ALA 550   4.407  -3.750   4.017
  291   3HB   ALA 550          3HB       ALA 550   5.077  -2.123   4.137
  292    H    LEU 551           H        LEU 551   4.571  -2.041   1.142
  293    HA   LEU 551           HA       LEU 551   3.640  -4.656  -0.043
  294   1HB   LEU 551          2HB       LEU 551   4.410  -2.077  -1.468
  295   2HB   LEU 551          1HB       LEU 551   4.276  -3.623  -2.270
  296    HG   LEU 551           HG       LEU 551   2.025  -3.622  -2.232
  297   1HD1  LEU 551          1HD1      LEU 551   2.101  -2.046   0.344
  298   2HD1  LEU 551          3HD1      LEU 551   0.618  -2.485  -0.491
  299   3HD1  LEU 551          2HD1      LEU 551   1.669  -3.738   0.150
  300   1HD2  LEU 551          2HD2      LEU 551   2.997  -1.316  -3.062
  301   2HD2  LEU 551          1HD2      LEU 551   1.257  -1.589  -2.987
  302   3HD2  LEU 551          3HD2      LEU 551   2.063  -0.690  -1.702
  303    H    SER 552           H        SER 552   5.398  -5.840  -1.163
  304    HA   SER 552           HA       SER 552   8.118  -4.733  -0.658
  305   1HB   SER 552          2HB       SER 552   7.178  -6.773   0.912
  306   2HB   SER 552          1HB       SER 552   7.983  -7.640  -0.397
  307    HG   SER 552           HG       SER 552   9.054  -5.787   1.413
  308    H    ALA 553           H        ALA 553   7.898  -7.982  -1.948
  309    HA   ALA 553           HA       ALA 553   7.661  -7.068  -4.626
  310   1HB   ALA 553          3HB       ALA 553  10.544  -7.664  -3.792
  311   2HB   ALA 553          2HB       ALA 553  10.009  -7.550  -5.444
  312   3HB   ALA 553          1HB       ALA 553   9.930  -6.146  -4.418
  313    H    ASP 554           H        ASP 554   6.842  -8.637  -5.665
  314    HA   ASP 554           HA       ASP 554   6.304 -11.270  -4.970
  315   1HB   ASP 554          2HB       ASP 554   6.230 -11.868  -7.328
  316   2HB   ASP 554          1HB       ASP 554   5.557 -10.254  -7.110
  317    H    LYS 555           H        LYS 555   7.930 -12.005  -3.632
  318    HA   LYS 555           HA       LYS 555   9.791 -13.324  -3.208
  319   1HB   LYS 555          2HB       LYS 555  10.174 -13.555  -6.199
  320   2HB   LYS 555          1HB       LYS 555  10.515 -14.755  -4.949
  321   1HG   LYS 555          2HG       LYS 555   7.776 -13.790  -5.855
  322   2HG   LYS 555          1HG       LYS 555   8.447 -15.415  -6.046
  323   1HD   LYS 555          2HD       LYS 555   7.540 -15.945  -4.056
  324   2HD   LYS 555          1HD       LYS 555   8.633 -14.787  -3.296
  325   1HE   LYS 555          2HE       LYS 555   6.839 -13.537  -2.750
  326   2HE   LYS 555          1HE       LYS 555   6.573 -13.237  -4.470
  327   1HZ   LYS 555          2HZ       LYS 555   5.632 -15.736  -3.210
  328   2HZ   LYS 555          1HZ       LYS 555   4.707 -14.315  -3.103
  329   3HZ   LYS 555          3HZ       LYS 555   5.074 -14.973  -4.622
  330    H    TYR 556           H        TYR 556  11.049 -11.947  -6.276
  331    HA   TYR 556           HA       TYR 556  12.932 -10.600  -6.572
  332   1HB   TYR 556          2HB       TYR 556  10.845  -9.200  -5.023
  333   2HB   TYR 556          1HB       TYR 556  12.414  -8.415  -5.010
  334    HD1  TYR 556           HD1      TYR 556  11.625 -10.523  -7.832
  335    HD2  TYR 556           HD2      TYR 556  11.327  -6.428  -6.416
  336    HE1  TYR 556           HE1      TYR 556  11.292  -9.726 -10.153
  337    HE2  TYR 556           HE2      TYR 556  11.066  -5.672  -8.731
  338    HH   TYR 556           HH       TYR 556  11.384  -7.839 -11.483
  339    H    THR 557           H        THR 557  13.442  -8.806  -3.774
  340    HA   THR 557           HA       THR 557  14.918 -11.002  -2.429
  341    HB   THR 557           HB       THR 557  16.516  -8.605  -3.256
  342    HG1  THR 557           HG1      THR 557  17.010  -9.603  -5.088
  343   1HG2  THR 557          3HG2      THR 557  17.009 -10.629  -1.478
  344   2HG2  THR 557          2HG2      THR 557  17.703 -11.284  -2.962
  345   3HG2  THR 557          1HG2      THR 557  18.261  -9.732  -2.338
  346    H    SER 558           H        SER 558  16.620  -8.499  -1.402
  347    HA   SER 558           HA       SER 558  15.960  -8.525   1.207
  348   1HB   SER 558          2HB       SER 558  17.048  -6.292  -0.479
  349   2HB   SER 558          1HB       SER 558  16.849  -6.110   1.262
  350    HG   SER 558           HG       SER 558  18.501  -7.856  -0.198
  351    H    SER 559           H        SER 559  15.294  -5.302   0.140
  352    HA   SER 559           HA       SER 559  12.864  -5.374   1.748
  353   1HB   SER 559          2HB       SER 559  13.502  -3.271   2.084
  354   2HB   SER 559          1HB       SER 559  14.620  -3.331   0.731
  355    HG   SER 559           HG       SER 559  12.620  -1.858   0.738
  356    H    ASP 560           H        ASP 560  13.500  -6.191  -1.398
  357    HA   ASP 560           HA       ASP 560  12.008  -6.908  -3.013
  358   1HB   ASP 560          2HB       ASP 560   9.839  -6.007  -1.167
  359   2HB   ASP 560          1HB       ASP 560   9.822  -7.318  -2.300
  360    HA   PRO 561           HA       PRO 561  11.815  -2.723  -4.917
  361   1HB   PRO 561          2HB       PRO 561  12.746  -3.601  -7.332
  362   2HB   PRO 561          1HB       PRO 561  13.760  -3.132  -5.981
  363   1HG   PRO 561          2HG       PRO 561  13.191  -5.804  -7.010
  364   2HG   PRO 561          1HG       PRO 561  14.546  -5.213  -6.056
  365   1HD   PRO 561          2HD       PRO 561  12.337  -6.735  -5.061
  366   2HD   PRO 561          1HD       PRO 561  13.565  -5.963  -4.087
  367    H    LEU 562           H        LEU 562  10.061  -5.530  -6.322
  368    HA   LEU 562           HA       LEU 562   8.809  -3.544  -8.145
  369   1HB   LEU 562          2HB       LEU 562   7.679  -5.364  -9.326
  370   2HB   LEU 562          1HB       LEU 562   9.410  -5.562  -9.363
  371    HG   LEU 562           HG       LEU 562   9.255  -7.612  -8.378
  372   1HD1  LEU 562          1HD1      LEU 562   8.617  -6.211  -6.191
  373   2HD1  LEU 562          3HD1      LEU 562   7.045  -6.940  -6.497
  374   3HD1  LEU 562          2HD1      LEU 562   8.463  -7.953  -6.276
  375   1HD2  LEU 562          3HD2      LEU 562   6.600  -6.894  -9.366
  376   2HD2  LEU 562          2HD2      LEU 562   7.516  -8.385  -9.581
  377   3HD2  LEU 562          1HD2      LEU 562   6.549  -8.146  -8.122
  378    H    TRP 563           H        TRP 563   8.520  -4.298  -5.136
  379    HA   TRP 563           HA       TRP 563   6.697  -4.531  -3.628
  380   1HB   TRP 563          2HB       TRP 563   5.933  -2.111  -5.167
  381   2HB   TRP 563          1HB       TRP 563   5.737  -2.418  -3.439
  382    HD1  TRP 563           HD1      TRP 563   8.469  -1.972  -6.074
  383    HE1  TRP 563           HE1      TRP 563  10.617  -1.182  -4.898
  384    HE3  TRP 563           HE3      TRP 563   6.997  -2.524  -1.335
  385    HZ2  TRP 563           HZ2      TRP 563  11.594  -1.000  -2.137
  386    HZ3  TRP 563           HZ3      TRP 563   8.521  -2.166   0.574
  387    HH2  TRP 563           HH2      TRP 563  10.839  -1.390   0.169
  388    H    TYR 564           H        TYR 564   5.544  -6.140  -3.698
  389    HA   TYR 564           HA       TYR 564   3.020  -6.035  -5.334
  390   1HB   TYR 564          2HB       TYR 564   2.834  -8.486  -4.974
  391   2HB   TYR 564          1HB       TYR 564   4.322  -8.071  -5.819
  392    HD1  TYR 564           HD2      TYR 564   4.681  -6.979  -2.519
  393    HD2  TYR 564           HD1      TYR 564   4.718 -10.543  -4.839
  394    HE1  TYR 564           HE2      TYR 564   5.994  -8.020  -0.797
  395    HE2  TYR 564           HE1      TYR 564   6.064 -11.671  -3.079
  396    HH   TYR 564           HH       TYR 564   7.142  -9.860  -0.189
  397    H    VAL 565           H        VAL 565   1.338  -7.653  -3.784
  398    HA   VAL 565           HA       VAL 565   1.657  -7.337  -0.996
  399    HB   VAL 565           HB       VAL 565   1.623  -5.030  -1.100
  400   1HG1  VAL 565          2HG1      VAL 565   1.048  -4.887  -3.490
  401   2HG1  VAL 565          1HG1      VAL 565  -0.633  -5.204  -3.095
  402   3HG1  VAL 565          3HG1      VAL 565   0.137  -3.734  -2.518
  403   1HG2  VAL 565          1HG2      VAL 565  -1.183  -6.018  -0.573
  404   2HG2  VAL 565          3HG2      VAL 565   0.056  -5.555   0.590
  405   3HG2  VAL 565          2HG2      VAL 565  -0.745  -4.324  -0.383
  406    H    THR 566           H        THR 566  -0.062  -7.903   0.247
  407    HA   THR 566           HA       THR 566  -2.693  -8.528  -0.860
  408    HB   THR 566           HB       THR 566  -0.920 -10.814   0.072
  409    HG1  THR 566           HG1      THR 566  -0.333 -10.277  -1.984
  410   1HG2  THR 566          2HG2      THR 566  -3.741 -10.494   0.015
  411   2HG2  THR 566          1HG2      THR 566  -3.322 -11.574  -1.316
  412   3HG2  THR 566          3HG2      THR 566  -2.830 -11.972   0.330
  413    H    VAL 567           H        VAL 567  -3.167  -7.050   0.894
  414    HA   VAL 567           HA       VAL 567  -2.810  -8.258   3.614
  415    HB   VAL 567           HB       VAL 567  -3.279  -5.334   3.079
  416   1HG1  VAL 567          1HG1      VAL 567  -2.547  -7.061   5.365
  417   2HG1  VAL 567          3HG1      VAL 567  -1.605  -5.577   5.229
  418   3HG1  VAL 567          2HG1      VAL 567  -3.361  -5.495   5.354
  419   1HG2  VAL 567          2HG2      VAL 567  -0.778  -6.944   2.747
  420   2HG2  VAL 567          1HG2      VAL 567  -1.336  -5.542   1.833
  421   3HG2  VAL 567          3HG2      VAL 567  -0.649  -5.328   3.443
  422    H    THR 568           H        THR 568  -4.609  -7.127   5.148
  423    HA   THR 568           HA       THR 568  -7.202  -7.544   3.730
  424    HB   THR 568           HB       THR 568  -7.974  -7.922   6.213
  425    HG1  THR 568           HG1      THR 568  -6.274  -8.753   7.462
  426   1HG2  THR 568          1HG2      THR 568  -6.965  -9.607   4.129
  427   2HG2  THR 568          3HG2      THR 568  -6.469 -10.279   5.682
  428   3HG2  THR 568          2HG2      THR 568  -8.177  -9.986   5.353
  429    H    LEU 569           H        LEU 569  -9.063  -6.387   4.821
  430    HA   LEU 569           HA       LEU 569  -8.506  -3.884   6.226
  431   1HB   LEU 569          2HB       LEU 569  -7.946  -3.179   3.960
  432   2HB   LEU 569          1HB       LEU 569  -9.429  -3.898   3.328
  433    HG   LEU 569           HG       LEU 569 -10.611  -2.319   5.029
  434   1HD1  LEU 569          3HD1      LEU 569  -7.836  -1.134   4.830
  435   2HD1  LEU 569          2HD1      LEU 569  -9.228  -0.115   5.202
  436   3HD1  LEU 569          1HD1      LEU 569  -8.783  -1.446   6.281
  437   1HD2  LEU 569          1HD2      LEU 569  -9.498  -1.885   2.329
  438   2HD2  LEU 569          3HD2      LEU 569 -11.164  -1.730   2.893
  439   3HD2  LEU 569          2HD2      LEU 569 -10.010  -0.414   3.154
  440    HA   PRO 570           HA       PRO 570 -12.571  -5.941   6.899
  441   1HB   PRO 570          2HB       PRO 570 -12.280  -6.135   9.615
  442   2HB   PRO 570          1HB       PRO 570 -11.658  -7.336   8.471
  443   1HG   PRO 570          2HG       PRO 570 -10.163  -5.298  10.043
  444   2HG   PRO 570          1HG       PRO 570  -9.593  -6.833   9.370
  445   1HD   PRO 570          2HD       PRO 570  -9.154  -4.229   8.274
  446   2HD   PRO 570          1HD       PRO 570  -8.778  -5.788   7.505
  447    H    ALA 571           H        ALA 571 -14.241  -4.495   6.791
  448    HA   ALA 571           HA       ALA 571 -14.896  -2.914   9.126
  449   1HB   ALA 571          3HB       ALA 571 -13.174  -1.522   7.784
  450   2HB   ALA 571          2HB       ALA 571 -14.508  -1.243   6.663
  451   3HB   ALA 571          1HB       ALA 571 -14.643  -0.730   8.343
  452    H    GLY 572           H        GLY 572 -15.511  -3.589   5.706
  453   1HA   GLY 572          2HA       GLY 572 -17.558  -4.072   4.643
  454   2HA   GLY 572          1HA       GLY 572 -18.331  -4.043   6.230
  455    H    GLU 573           H        GLU 573 -16.461  -1.484   4.606
  456    HA   GLU 573           HA       GLU 573 -18.843   0.108   4.036
  457   1HB   GLU 573          2HB       GLU 573 -18.294   0.280   6.584
  458   2HB   GLU 573          1HB       GLU 573 -16.960   1.302   6.051
  459   1HG   GLU 573          2HG       GLU 573 -18.527   2.959   6.181
  460   2HG   GLU 573          1HG       GLU 573 -18.994   2.359   4.589
  461    H    SER 574           H        SER 574 -16.856   2.488   4.576
  462    HA   SER 574           HA       SER 574 -15.381   2.185   1.976
  463   1HB   SER 574          2HB       SER 574 -15.999   4.822   3.300
  464   2HB   SER 574          1HB       SER 574 -15.671   4.486   1.602
  465    HG   SER 574           HG       SER 574 -18.017   4.390   3.002
  466    H    PHE 575           H        PHE 575 -13.281   2.527   1.928
  467    HA   PHE 575           HA       PHE 575 -11.871   3.395   4.444
  468   1HB   PHE 575          2HB       PHE 575 -10.661   1.408   2.521
  469   2HB   PHE 575          1HB       PHE 575 -10.318   1.650   4.226
  470    HD1  PHE 575           HD1      PHE 575 -13.350   0.757   2.152
  471    HD2  PHE 575           HD2      PHE 575 -10.974  -0.102   5.606
  472    HE1  PHE 575           HE1      PHE 575 -14.852  -1.117   2.715
  473    HE2  PHE 575           HE2      PHE 575 -12.480  -1.975   6.169
  474    HZ   PHE 575           HZ       PHE 575 -14.424  -2.480   4.729
  475    H    GLU 576           H        GLU 576 -10.256   4.992   3.853
  476    HA   GLU 576           HA       GLU 576 -10.395   5.965   1.089
  477   1HB   GLU 576          2HB       GLU 576  -8.569   6.898   3.318
  478   2HB   GLU 576          1HB       GLU 576  -8.712   7.649   1.741
  479   1HG   GLU 576          2HG       GLU 576 -11.235   7.219   3.269
  480   2HG   GLU 576          1HG       GLU 576 -10.157   8.502   3.821
  481    H    TYR 577           H        TYR 577  -8.169   6.301  -0.088
  482    HA   TYR 577           HA       TYR 577  -6.452   3.972   0.535
  483   1HB   TYR 577          2HB       TYR 577  -8.095   4.397  -1.902
  484   2HB   TYR 577          1HB       TYR 577  -6.474   3.737  -2.138
  485    HD1  TYR 577           HD2      TYR 577  -9.555   3.256   0.026
  486    HD2  TYR 577           HD1      TYR 577  -6.089   1.469  -1.821
  487    HE1  TYR 577           HE2      TYR 577 -10.264   1.029   0.807
  488    HE2  TYR 577           HE1      TYR 577  -6.832  -0.754  -1.026
  489    HH   TYR 577           HH       TYR 577  -8.221  -1.791   0.502
  490    H    LYS 578           H        LYS 578  -4.666   5.081   1.067
  491    HA   LYS 578           HA       LYS 578  -3.407   6.709  -1.080
  492   1HB   LYS 578          2HB       LYS 578  -3.946   7.497   1.766
  493   2HB   LYS 578          1HB       LYS 578  -2.481   8.086   0.978
  494   1HG   LYS 578          2HG       LYS 578  -4.564   8.415  -0.903
  495   2HG   LYS 578          1HG       LYS 578  -5.201   8.991   0.636
  496   1HD   LYS 578          2HD       LYS 578  -2.440   9.846   0.167
  497   2HD   LYS 578          1HD       LYS 578  -3.557  10.435  -1.064
  498   1HE   LYS 578          2HE       LYS 578  -4.528  10.625   1.728
  499   2HE   LYS 578          1HE       LYS 578  -3.173  11.678   1.323
  500   1HZ   LYS 578          3HZ       LYS 578  -5.134  11.658  -0.739
  501   2HZ   LYS 578          2HZ       LYS 578  -5.818  12.117   0.748
  502   3HZ   LYS 578          1HZ       LYS 578  -4.490  12.972   0.120
  503    H    PHE 579           H        PHE 579  -1.069   6.712  -0.932
  504    HA   PHE 579           HA       PHE 579   0.008   4.392   0.658
  505   1HB   PHE 579          2HB       PHE 579   0.504   3.639  -1.443
  506   2HB   PHE 579          1HB       PHE 579   0.293   5.236  -2.168
  507    HD1  PHE 579           HD2      PHE 579   2.012   6.987  -1.646
  508    HD2  PHE 579           HD1      PHE 579   2.770   2.825  -1.065
  509    HE1  PHE 579           HE2      PHE 579   4.433   7.443  -1.637
  510    HE2  PHE 579           HE1      PHE 579   5.204   3.324  -1.023
  511    HZ   PHE 579           HZ       PHE 579   6.016   5.593  -1.340
  512    H    ILE 580           H        ILE 580   2.363   4.510   0.932
  513    HA   ILE 580           HA       ILE 580   3.540   7.175   1.212
  514    HB   ILE 580           HB       ILE 580   3.798   7.107   3.589
  515   1HG1  ILE 580          2HG1      ILE 580   3.238   4.262   3.064
  516   2HG1  ILE 580          1HG1      ILE 580   4.299   5.026   4.273
  517   1HG2  ILE 580          3HG2      ILE 580   1.509   7.742   2.761
  518   2HG2  ILE 580          2HG2      ILE 580   1.010   6.068   2.943
  519   3HG2  ILE 580          1HG2      ILE 580   1.460   7.004   4.357
  520   1HD1  ILE 580          3HD1      ILE 580   1.921   5.758   5.249
  521   2HD1  ILE 580          2HD1      ILE 580   1.453   4.237   4.494
  522   3HD1  ILE 580          1HD1      ILE 580   2.719   4.265   5.717
  523    H    ARG 581           H        ARG 581   5.723   7.046   0.927
  524    HA   ARG 581           HA       ARG 581   6.913   4.481   0.161
  525   1HB   ARG 581          2HB       ARG 581   7.149   6.930  -0.827
  526   2HB   ARG 581          1HB       ARG 581   8.473   7.017   0.334
  527   1HG   ARG 581          2HG       ARG 581   9.765   5.793  -1.003
  528   2HG   ARG 581          1HG       ARG 581   8.574   4.493  -1.016
  529   1HD   ARG 581          2HD       ARG 581   8.072   4.984  -3.153
  530   2HD   ARG 581          1HD       ARG 581   7.562   6.596  -2.651
  531    HE   ARG 581           HE       ARG 581   9.929   6.041  -4.119
  532   1HH1  ARG 581          2HH1      ARG 581   8.426   8.227  -2.001
  533   2HH1  ARG 581          1HH1      ARG 581   9.816   9.242  -1.810
  534   1HH2  ARG 581          1HH2      ARG 581  11.923   7.146  -3.595
  535   2HH2  ARG 581          2HH2      ARG 581  11.796   8.630  -2.712
  536    H    ILE 582           H        ILE 582   7.770   3.180   1.878
  537    HA   ILE 582           HA       ILE 582   9.162   4.705   4.025
  538    HB   ILE 582           HB       ILE 582   7.898   1.978   4.022
  539   1HG1  ILE 582          2HG1      ILE 582   6.372   2.927   5.441
  540   2HG1  ILE 582          1HG1      ILE 582   7.579   3.952   6.216
  541   1HG2  ILE 582          3HG2      ILE 582  10.230   2.897   5.544
  542   2HG2  ILE 582          2HG2      ILE 582   8.898   2.367   6.571
  543   3HG2  ILE 582          1HG2      ILE 582   9.574   1.269   5.369
  544   1HD1  ILE 582          1HD1      ILE 582   6.414   4.408   3.450
  545   2HD1  ILE 582          3HD1      ILE 582   5.970   5.307   4.904
  546   3HD1  ILE 582          2HD1      ILE 582   7.605   5.433   4.253
  547    H    GLU 583           H        GLU 583  11.260   4.566   4.443
  548    HA   GLU 583           HA       GLU 583  12.813   2.813   2.572
  549   1HB   GLU 583          2HB       GLU 583  13.196   5.357   2.697
  550   2HB   GLU 583          1HB       GLU 583  13.981   5.033   4.243
  551   1HG   GLU 583          2HG       GLU 583  15.707   3.801   3.262
  552   2HG   GLU 583          1HG       GLU 583  14.761   3.440   1.817
  553    H    SER 584           H        SER 584  14.921   1.966   3.498
  554    HA   SER 584           HA       SER 584  14.355   0.434   5.907
  555   1HB   SER 584          2HB       SER 584  16.551   0.580   3.905
  556   2HB   SER 584          1HB       SER 584  16.990  -0.003   5.507
  557    HG   SER 584           HG       SER 584  16.245  -1.812   4.676
  558    H    ASP 585           H        ASP 585  15.970   3.406   5.134
  559    HA   ASP 585           HA       ASP 585  17.279   3.555   7.757
  560   1HB   ASP 585          2HB       ASP 585  17.534   6.019   6.611
  561   2HB   ASP 585          1HB       ASP 585  18.712   4.733   6.436
  562    H    ASP 586           H        ASP 586  14.249   3.598   7.010
  563    HA   ASP 586           HA       ASP 586  12.396   4.454   8.195
  564   1HB   ASP 586          2HB       ASP 586  14.398   5.107   9.907
  565   2HB   ASP 586          1HB       ASP 586  13.860   6.718   9.428
  566    H    SER 587           H        SER 587  11.220   5.305   6.555
  567    HA   SER 587           HA       SER 587  11.507   8.198   5.968
  568   1HB   SER 587          2HB       SER 587  12.751   6.436   4.289
  569   2HB   SER 587          1HB       SER 587  11.129   6.518   3.577
  570    HG   SER 587           HG       SER 587  11.378   8.696   3.322
  571    H    VAL 588           H        VAL 588   9.654   8.978   4.702
  572    HA   VAL 588           HA       VAL 588   7.459   7.171   4.136
  573    HB   VAL 588           HB       VAL 588   7.272   8.927   6.564
  574   1HG1  VAL 588          1HG1      VAL 588   5.643   9.821   4.812
  575   2HG1  VAL 588          3HG1      VAL 588   4.904   8.212   4.899
  576   3HG1  VAL 588          2HG1      VAL 588   4.950   9.259   6.329
  577   1HG2  VAL 588          3HG2      VAL 588   7.147   6.248   6.148
  578   2HG2  VAL 588          2HG2      VAL 588   6.342   7.065   7.486
  579   3HG2  VAL 588          1HG2      VAL 588   5.447   6.704   6.000
  580    H    GLU 589           H        GLU 589   6.787   7.847   2.233
  581    HA   GLU 589           HA       GLU 589   6.593  10.790   1.719
  582   1HB   GLU 589          2HB       GLU 589   8.316  10.098   0.207
  583   2HB   GLU 589          1HB       GLU 589   7.502   8.573  -0.131
  584   1HG   GLU 589          2HG       GLU 589   6.215   9.469  -1.738
  585   2HG   GLU 589          1HG       GLU 589   5.804  10.855  -0.717
  586    H    TRP 590           H        TRP 590   4.340  10.601   2.442
  587    HA   TRP 590           HA       TRP 590   2.574   8.629   1.491
  588   1HB   TRP 590          2HB       TRP 590   2.071  11.436   2.442
  589   2HB   TRP 590          1HB       TRP 590   0.760  10.332   2.005
  590    HD1  TRP 590           HD1      TRP 590   3.995   9.218   3.664
  591    HE1  TRP 590           HE1      TRP 590   3.466   8.203   5.980
  592    HE3  TRP 590           HE3      TRP 590  -0.991  10.136   3.943
  593    HZ2  TRP 590           HZ2      TRP 590   1.280   7.868   7.712
  594    HZ3  TRP 590           HZ3      TRP 590  -2.222   9.369   5.932
  595    HH2  TRP 590           HH2      TRP 590  -1.135   8.260   7.785
  596    H    GLU 591           H        GLU 591   2.975   8.275  -0.752
  597    HA   GLU 591           HA       GLU 591   2.774  10.368  -2.713
  598   1HB   GLU 591          2HB       GLU 591   3.726   8.011  -3.184
  599   2HB   GLU 591          1HB       GLU 591   2.044   7.488  -3.311
  600   1HG   GLU 591          2HG       GLU 591   1.966   9.698  -4.866
  601   2HG   GLU 591          1HG       GLU 591   3.635   9.194  -5.130
  602    H    SER 592           H        SER 592   0.983  11.557  -2.260
  603    HA   SER 592           HA       SER 592  -1.599  10.150  -1.957
  604   1HB   SER 592          2HB       SER 592  -0.881  11.749  -0.205
  605   2HB   SER 592          1HB       SER 592  -0.808  13.029  -1.419
  606    HG   SER 592           HG       SER 592  -2.966  13.029  -1.581
  607    H    ASP 593           H        ASP 593  -0.106  10.625  -4.532
  608    HA   ASP 593           HA       ASP 593  -1.856  12.525  -5.954
  609   1HB   ASP 593          2HB       ASP 593   0.693  11.174  -6.501
  610   2HB   ASP 593          1HB       ASP 593  -0.397  11.186  -7.888
  611    HA   PRO 594           HA       PRO 594  -3.401   8.501  -7.963
  612   1HB   PRO 594          2HB       PRO 594  -2.147   6.135  -7.348
  613   2HB   PRO 594          1HB       PRO 594  -1.651   7.173  -8.696
  614   1HG   PRO 594          2HG       PRO 594  -0.354   6.809  -6.025
  615   2HG   PRO 594          1HG       PRO 594   0.384   7.203  -7.587
  616   1HD   PRO 594          2HD       PRO 594  -0.121   9.052  -5.543
  617   2HD   PRO 594          1HD       PRO 594   0.168   9.450  -7.252
  618    H    ASN 595           H        ASN 595  -4.881   9.179  -6.100
  619    HA   ASN 595           HA       ASN 595  -4.908   7.181  -3.882
  620   1HB   ASN 595          2HB       ASN 595  -6.411   8.834  -2.745
  621   2HB   ASN 595          1HB       ASN 595  -4.810   9.482  -3.104
  622   1HD2  ASN 595          2HD2      ASN 595  -8.084  11.114  -4.873
  623   2HD2  ASN 595          1HD2      ASN 595  -8.225   9.794  -3.815
  624    H    ARG 596           H        ARG 596  -7.178   6.582  -3.128
  625    HA   ARG 596           HA       ARG 596  -9.320   6.758  -5.110
  626   1HB   ARG 596          2HB       ARG 596  -7.519   4.449  -5.027
  627   2HB   ARG 596          1HB       ARG 596  -9.213   4.002  -4.821
  628   1HG   ARG 596          2HG       ARG 596  -8.165   5.775  -7.047
  629   2HG   ARG 596          1HG       ARG 596  -8.515   4.055  -7.220
  630   1HD   ARG 596          2HD       ARG 596 -10.719   5.566  -6.006
  631   2HD   ARG 596          1HD       ARG 596 -10.331   6.094  -7.644
  632    HE   ARG 596           HE       ARG 596 -10.934   3.237  -6.982
  633   1HH1  ARG 596          2HH1      ARG 596 -10.182   3.024  -9.591
  634   2HH1  ARG 596          1HH1      ARG 596 -11.500   3.586 -10.564
  635   1HH2  ARG 596          1HH2      ARG 596 -13.048   5.274  -7.960
  636   2HH2  ARG 596          2HH2      ARG 596 -13.123   4.860  -9.641
  637    H    GLU 597           H        GLU 597 -10.979   4.785  -4.279
  638    HA   GLU 597           HA       GLU 597 -11.064   4.780  -1.310
  639   1HB   GLU 597          2HB       GLU 597 -13.548   5.477  -1.526
  640   2HB   GLU 597          1HB       GLU 597 -12.335   6.750  -1.677
  641   1HG   GLU 597          2HG       GLU 597 -12.768   7.082  -3.892
  642   2HG   GLU 597          1HG       GLU 597 -13.034   5.366  -4.199
  643    H    TYR 598           H        TYR 598 -11.019   2.548  -1.183
  644    HA   TYR 598           HA       TYR 598 -12.548   0.878  -2.993
  645   1HB   TYR 598          2HB       TYR 598 -10.288   0.418  -1.778
  646   2HB   TYR 598          1HB       TYR 598 -11.298   0.045  -0.384
  647    HD1  TYR 598           HD2      TYR 598 -13.462  -1.420  -1.124
  648    HD2  TYR 598           HD1      TYR 598  -9.608  -1.409  -3.003
  649    HE1  TYR 598           HE2      TYR 598 -13.888  -3.710  -1.977
  650    HE2  TYR 598           HE1      TYR 598 -10.030  -3.688  -3.884
  651    HH   TYR 598           HH       TYR 598 -12.523  -5.657  -2.724
  652    H    THR 599           H        THR 599 -14.771   1.360  -2.634
  653    HA   THR 599           HA       THR 599 -15.822   1.483   0.096
  654    HB   THR 599           HB       THR 599 -18.054   1.210  -1.339
  655    HG1  THR 599           HG1      THR 599 -17.692   1.164  -3.388
  656   1HG2  THR 599          1HG2      THR 599 -16.526   3.359  -0.384
  657   2HG2  THR 599          3HG2      THR 599 -16.935   3.792  -2.044
  658   3HG2  THR 599          2HG2      THR 599 -18.214   3.410  -0.892
  659    H    VAL 600           H        VAL 600 -15.124  -0.570   0.926
  660    HA   VAL 600           HA       VAL 600 -15.964  -2.987  -0.503
  661    HB   VAL 600           HB       VAL 600 -15.028  -3.228   2.306
  662   1HG1  VAL 600          1HG1      VAL 600 -14.944  -4.634  -0.269
  663   2HG1  VAL 600          3HG1      VAL 600 -13.479  -4.751   0.700
  664   3HG1  VAL 600          2HG1      VAL 600 -15.023  -5.285   1.374
  665   1HG2  VAL 600          3HG2      VAL 600 -13.591  -1.411   0.837
  666   2HG2  VAL 600          2HG2      VAL 600 -12.895  -2.473   2.056
  667   3HG2  VAL 600          1HG2      VAL 600 -12.829  -2.929   0.361
  668    HA   PRO 601           HA       PRO 601 -19.853  -2.832   1.724
  669   1HB   PRO 601          2HB       PRO 601 -21.039  -4.818   0.244
  670   2HB   PRO 601          1HB       PRO 601 -20.912  -3.137  -0.303
  671   1HG   PRO 601          2HG       PRO 601 -19.377  -5.525  -1.210
  672   2HG   PRO 601          1HG       PRO 601 -19.739  -4.026  -2.082
  673   1HD   PRO 601          2HD       PRO 601 -17.275  -4.681  -0.839
  674   2HD   PRO 601          1HD       PRO 601 -17.751  -3.084  -1.452
  675    H    GLN 602           H        GLN 602 -21.338  -5.032   2.303
  676    HA   GLN 602           HA       GLN 602 -19.956  -6.327   4.406
  677   1HB   GLN 602          2HB       GLN 602 -22.538  -6.677   3.013
  678   2HB   GLN 602          1HB       GLN 602 -21.911  -8.138   3.775
  679   1HG   GLN 602          2HG       GLN 602 -21.439  -6.387   5.766
  680   2HG   GLN 602          1HG       GLN 602 -22.831  -5.598   5.022
  681   1HE2  GLN 602          2HE2      GLN 602 -23.467  -9.462   6.301
  682   2HE2  GLN 602          1HE2      GLN 602 -22.011  -9.083   5.515
  683    H    ALA 603           H        ALA 603 -19.922  -8.937   4.367
  684    HA   ALA 603           HA       ALA 603 -17.783  -9.678   2.631
  685   1HB   ALA 603          2HB       ALA 603 -19.719 -11.279   4.309
  686   2HB   ALA 603          1HB       ALA 603 -18.474 -12.060   3.335
  687   3HB   ALA 603          3HB       ALA 603 -18.016 -10.947   4.623
  688    H    CYS 604           H        CYS 604 -21.290 -10.237   2.413
  689    HA   CYS 604           HA       CYS 604 -21.190 -11.878   0.064
  690   1HB   CYS 604          2HB       CYS 604 -23.458 -10.004   0.755
  691   2HB   CYS 604          1HB       CYS 604 -23.543 -11.562  -0.066
  692    H    GLY 605           H        GLY 605 -19.860 -10.968  -1.531
  693   1HA   GLY 605          2HA       GLY 605 -20.763  -9.432  -3.560
  694   2HA   GLY 605          1HA       GLY 605 -20.331  -8.186  -2.389
  695    H    THR 606           H        THR 606 -18.060  -8.183  -1.614
  696    HA   THR 606           HA       THR 606 -16.127  -9.677  -3.278
  697    HB   THR 606           HB       THR 606 -15.161  -7.016  -3.262
  698    HG1  THR 606           HG1      THR 606 -17.042  -6.265  -4.658
  699   1HG2  THR 606          1HG2      THR 606 -15.546  -9.183  -5.038
  700   2HG2  THR 606          3HG2      THR 606 -16.288  -7.777  -5.801
  701   3HG2  THR 606          2HG2      THR 606 -14.593  -7.726  -5.316
  702    H    SER 607           H        SER 607 -15.696 -10.613  -1.147
  703    HA   SER 607           HA       SER 607 -14.782  -8.926   1.035
  704   1HB   SER 607          2HB       SER 607 -15.771 -11.291   1.211
  705   2HB   SER 607          1HB       SER 607 -14.189 -11.871   0.699
  706    HG   SER 607           HG       SER 607 -13.294 -10.792   2.487
  707    H    THR 608           H        THR 608 -13.366  -9.883  -1.867
  708    HA   THR 608           HA       THR 608 -10.741  -8.849  -1.035
  709    HB   THR 608           HB       THR 608  -9.475 -10.852  -1.555
  710    HG1  THR 608           HG1      THR 608 -10.292 -12.205  -2.898
  711   1HG2  THR 608          3HG2      THR 608 -10.446 -10.799   0.723
  712   2HG2  THR 608          2HG2      THR 608 -11.856 -11.673   0.129
  713   3HG2  THR 608          1HG2      THR 608 -10.271 -12.447   0.126
  714    H    ALA 609           H        ALA 609  -9.953  -7.742  -2.763
  715    HA   ALA 609           HA       ALA 609 -10.706  -8.745  -5.488
  716   1HB   ALA 609          3HB       ALA 609 -12.264  -6.870  -4.593
  717   2HB   ALA 609          2HB       ALA 609 -10.896  -5.802  -4.914
  718   3HB   ALA 609          1HB       ALA 609 -11.622  -6.726  -6.229
  719    H    THR 610           H        THR 610  -9.647  -6.116  -6.593
  720    HA   THR 610           HA       THR 610  -6.738  -6.630  -6.087
  721    HB   THR 610           HB       THR 610  -6.277  -6.376  -8.408
  722    HG1  THR 610           HG1      THR 610  -7.486  -5.175  -9.621
  723   1HG2  THR 610          2HG2      THR 610  -8.830  -7.956  -8.022
  724   2HG2  THR 610          1HG2      THR 610  -7.864  -8.011  -9.497
  725   3HG2  THR 610          3HG2      THR 610  -7.176  -8.568  -7.972
  726    H    VAL 611           H        VAL 611  -5.386  -4.792  -6.810
  727    HA   VAL 611           HA       VAL 611  -6.580  -2.115  -6.701
  728    HB   VAL 611           HB       VAL 611  -4.597  -2.667  -4.570
  729   1HG1  VAL 611          2HG1      VAL 611  -6.581  -0.687  -5.186
  730   2HG1  VAL 611          1HG1      VAL 611  -6.932  -1.382  -3.588
  731   3HG1  VAL 611          3HG1      VAL 611  -5.357  -0.633  -3.916
  732   1HG2  VAL 611          1HG2      VAL 611  -6.203  -4.593  -4.407
  733   2HG2  VAL 611          3HG2      VAL 611  -6.100  -3.575  -2.957
  734   3HG2  VAL 611          2HG2      VAL 611  -7.464  -3.390  -4.083
  735    H    THR 612           H        THR 612  -5.267  -2.405  -8.830
  736    HA   THR 612           HA       THR 612  -2.400  -2.795  -8.613
  737    HB   THR 612           HB       THR 612  -2.698  -1.745 -11.082
  738    HG1  THR 612           HG1      THR 612  -4.677  -2.301 -11.857
  739   1HG2  THR 612          1HG2      THR 612  -3.151  -4.525 -10.039
  740   2HG2  THR 612          3HG2      THR 612  -3.031  -4.156 -11.761
  741   3HG2  THR 612          2HG2      THR 612  -1.672  -3.815 -10.688
  742    H    ASP 613           H        ASP 613  -0.719  -1.420  -8.866
  743    HA   ASP 613           HA       ASP 613  -1.116   1.342  -9.547
  744   1HB   ASP 613          2HB       ASP 613   0.167   1.223  -6.885
  745   2HB   ASP 613          1HB       ASP 613  -0.959   2.413  -7.534
  746    H    THR 614           H        THR 614   1.084   2.593  -9.175
  747    HA   THR 614           HA       THR 614   3.466   0.950  -9.039
  748    HB   THR 614           HB       THR 614   3.526   0.317 -11.191
  749    HG1  THR 614           HG1      THR 614   4.588   1.744 -12.423
  750   1HG2  THR 614          1HG2      THR 614   1.353   2.364 -11.529
  751   2HG2  THR 614          3HG2      THR 614   2.108   1.637 -12.949
  752   3HG2  THR 614          2HG2      THR 614   1.286   0.618 -11.768
  753    H    TRP 615           H        TRP 615   5.386   2.305  -9.884
  754    HA   TRP 615           HA       TRP 615   4.998   4.958  -8.628
  755   1HB   TRP 615          2HB       TRP 615   6.799   2.828  -8.056
  756   2HB   TRP 615          1HB       TRP 615   7.756   4.199  -8.643
  757    HD1  TRP 615           HD1      TRP 615   8.399   5.602  -6.688
  758    HE1  TRP 615           HE1      TRP 615   7.200   6.674  -4.656
  759    HE3  TRP 615           HE3      TRP 615   4.061   3.196  -7.050
  760    HZ2  TRP 615           HZ2      TRP 615   4.719   6.445  -3.388
  761    HZ3  TRP 615           HZ3      TRP 615   2.251   3.566  -5.427
  762    HH2  TRP 615           HH2      TRP 615   2.557   5.140  -3.591
  763    H    ARG 616           H        ARG 616   5.362   6.725  -9.789
  764    HA   ARG 616           HA       ARG 616   6.600   6.395 -12.484
  765   1HB   ARG 616          2HB       ARG 616   4.444   7.992 -11.409
  766   2HB   ARG 616          1HB       ARG 616   5.655   9.037 -12.154
  767   1HG   ARG 616          2HG       ARG 616   5.599   7.513 -14.171
  768   2HG   ARG 616          1HG       ARG 616   4.216   6.701 -13.435
  769   1HD   ARG 616          2HD       ARG 616   4.243   9.693 -13.818
  770   2HD   ARG 616          1HD       ARG 616   3.726   8.611 -15.112
  771    HE   ARG 616           HE       ARG 616   2.170   7.716 -13.102
  772   1HH1  ARG 616          1HH2      ARG 616   3.121  10.655 -12.194
  773   2HH1  ARG 616          2HH2      ARG 616   1.623  11.487 -12.450
  774   1HH2  ARG 616          1HH1      ARG 616   0.184   8.891 -14.242
  775   2HH2  ARG 616          2HH1      ARG 616  -0.040  10.488 -13.610
   
  No H/Q in entry =         775
  Start of MODEL    5
    1   1H    CYS 509          1H        CYS 509  21.191  19.032  -3.672
    2   2H    CYS 509          3H        CYS 509  20.070  18.496  -2.518
    3   3H    CYS 509          2H        CYS 509  21.709  18.652  -2.099
    4    HA   CYS 509           HA       CYS 509  22.334  16.857  -3.513
    5   1HB   CYS 509          2HB       CYS 509  19.821  16.043  -2.030
    6   2HB   CYS 509          1HB       CYS 509  21.233  15.044  -2.373
    7    H    THR 510           H        THR 510  18.758  16.711  -3.474
    8    HA   THR 510           HA       THR 510  18.382  17.058  -6.267
    9    HB   THR 510           HB       THR 510  17.849  14.281  -6.198
   10    HG1  THR 510           HG1      THR 510  19.315  14.110  -4.495
   11   1HG2  THR 510          2HG2      THR 510  18.828  16.083  -7.956
   12   2HG2  THR 510          1HG2      THR 510  20.323  15.259  -7.515
   13   3HG2  THR 510          3HG2      THR 510  18.975  14.341  -8.188
   14    H    THR 511           H        THR 511  17.062  17.707  -3.805
   15    HA   THR 511           HA       THR 511  14.870  17.834  -2.979
   16    HB   THR 511           HB       THR 511  13.752  16.197  -5.193
   17    HG1  THR 511           HG1      THR 511  14.065  18.208  -6.503
   18   1HG2  THR 511          3HG2      THR 511  13.119  18.658  -3.633
   19   2HG2  THR 511          2HG2      THR 511  12.468  18.542  -5.268
   20   3HG2  THR 511          1HG2      THR 511  12.075  17.306  -4.073
   21    HA   PRO 512           HA       PRO 512  15.281  13.351  -1.750
   22   1HB   PRO 512          2HB       PRO 512  16.438  13.804   0.702
   23   2HB   PRO 512          1HB       PRO 512  17.368  13.539  -0.784
   24   1HG   PRO 512          2HG       PRO 512  16.892  16.079   0.705
   25   2HG   PRO 512          1HG       PRO 512  18.244  15.633  -0.349
   26   1HD   PRO 512          2HD       PRO 512  16.066  17.298  -1.059
   27   2HD   PRO 512          1HD       PRO 512  17.243  16.581  -2.179
   28    H    THR 513           H        THR 513  13.919  16.252  -0.540
   29    HA   THR 513           HA       THR 513  12.671  15.519   1.856
   30    HB   THR 513           HB       THR 513  10.734  17.019   0.941
   31    HG1  THR 513           HG1      THR 513  10.942  17.358  -1.109
   32   1HG2  THR 513          1HG2      THR 513  13.595  17.974   1.218
   33   2HG2  THR 513          3HG2      THR 513  12.193  19.043   1.212
   34   3HG2  THR 513          2HG2      THR 513  12.389  17.855   2.500
   35    H    ALA 514           H        ALA 514  11.361  15.063  -1.449
   36    HA   ALA 514           HA       ALA 514   9.169  13.412  -0.447
   37   1HB   ALA 514          3HB       ALA 514  10.020  14.538  -3.036
   38   2HB   ALA 514          2HB       ALA 514   9.241  12.960  -3.149
   39   3HB   ALA 514          1HB       ALA 514   8.396  14.308  -2.388
   40    H    VAL 515           H        VAL 515   9.136  11.188  -0.325
   41    HA   VAL 515           HA       VAL 515  11.547   9.762  -1.364
   42    HB   VAL 515           HB       VAL 515   9.951   9.277   1.142
   43   1HG1  VAL 515          1HG1      VAL 515  11.091   7.309  -0.561
   44   2HG1  VAL 515          3HG1      VAL 515  12.197   7.496   0.796
   45   3HG1  VAL 515          2HG1      VAL 515  10.505   7.092   1.087
   46   1HG2  VAL 515          2HG2      VAL 515  12.175  10.822   0.617
   47   2HG2  VAL 515          1HG2      VAL 515  11.756  10.160   2.196
   48   3HG2  VAL 515          3HG2      VAL 515  12.889   9.302   1.153
   49    H    ALA 516           H        ALA 516  10.803   8.882  -3.254
   50    HA   ALA 516           HA       ALA 516   8.119   7.748  -3.455
   51   1HB   ALA 516          2HB       ALA 516   9.472   8.773  -5.391
   52   2HB   ALA 516          1HB       ALA 516  10.426   7.290  -5.356
   53   3HB   ALA 516          3HB       ALA 516   8.701   7.219  -5.716
   54    H    VAL 517           H        VAL 517   7.703   5.780  -2.493
   55    HA   VAL 517           HA       VAL 517  10.044   3.930  -2.279
   56    HB   VAL 517           HB       VAL 517   7.670   3.227  -0.722
   57   1HG1  VAL 517          3HG1      VAL 517   9.887   2.193  -0.513
   58   2HG1  VAL 517          2HG1      VAL 517  10.563   3.747  -0.017
   59   3HG1  VAL 517          1HG1      VAL 517   9.368   2.928   1.011
   60   1HG2  VAL 517          3HG2      VAL 517   7.603   5.767  -0.626
   61   2HG2  VAL 517          2HG2      VAL 517   7.758   4.930   0.925
   62   3HG2  VAL 517          1HG2      VAL 517   9.173   5.688   0.179
   63    H    THR 518           H        THR 518   9.723   1.758  -2.952
   64    HA   THR 518           HA       THR 518   7.351   1.387  -4.712
   65    HB   THR 518           HB       THR 518  10.067   0.045  -4.617
   66    HG1  THR 518           HG1      THR 518   8.684   1.404  -6.683
   67   1HG2  THR 518          2HG2      THR 518   7.486  -0.864  -5.777
   68   2HG2  THR 518          1HG2      THR 518   8.910  -1.020  -6.807
   69   3HG2  THR 518          3HG2      THR 518   8.871  -1.809  -5.230
   70    H    PHE 519           H        PHE 519   5.821  -0.069  -4.102
   71    HA   PHE 519           HA       PHE 519   6.547  -1.969  -1.920
   72   1HB   PHE 519          2HB       PHE 519   3.690  -1.167  -2.182
   73   2HB   PHE 519          1HB       PHE 519   4.605  -1.599  -0.755
   74    HD1  PHE 519           HD2      PHE 519   4.622   1.111  -3.376
   75    HD2  PHE 519           HD1      PHE 519   5.044   0.046   0.753
   76    HE1  PHE 519           HE2      PHE 519   4.991   3.496  -2.801
   77    HE2  PHE 519           HE1      PHE 519   5.412   2.434   1.334
   78    HZ   PHE 519           HZ       PHE 519   5.390   4.142  -0.444
   79    H    ASP 520           H        ASP 520   5.379  -3.935  -1.905
   80    HA   ASP 520           HA       ASP 520   3.844  -4.679  -4.293
   81   1HB   ASP 520          2HB       ASP 520   6.601  -5.633  -3.629
   82   2HB   ASP 520          1HB       ASP 520   5.450  -6.821  -4.220
   83    H    LEU 521           H        LEU 521   2.696  -6.760  -3.845
   84    HA   LEU 521           HA       LEU 521   2.951  -7.922  -1.174
   85   1HB   LEU 521          2HB       LEU 521   1.631  -5.743  -0.918
   86   2HB   LEU 521          1HB       LEU 521   0.352  -6.536  -1.837
   87    HG   LEU 521           HG       LEU 521   1.567  -7.868   0.571
   88   1HD1  LEU 521          1HD1      LEU 521   0.229  -5.381   0.650
   89   2HD1  LEU 521          3HD1      LEU 521  -0.977  -6.572   1.145
   90   3HD1  LEU 521          2HD1      LEU 521   0.549  -6.448   2.015
   91   1HD2  LEU 521          2HD2      LEU 521  -1.002  -8.057  -1.015
   92   2HD2  LEU 521          1HD2      LEU 521   0.228  -9.300  -0.803
   93   3HD2  LEU 521          3HD2      LEU 521  -0.808  -8.842   0.552
   94    H    THR 522           H        THR 522   2.435 -10.048  -1.320
   95    HA   THR 522           HA       THR 522   1.253 -11.021  -3.793
   96    HB   THR 522           HB       THR 522   1.787 -12.593  -1.262
   97    HG1  THR 522           HG1      THR 522   3.427 -11.904  -3.460
   98   1HG2  THR 522          3HG2      THR 522   1.534 -13.424  -4.166
   99   2HG2  THR 522          2HG2      THR 522   1.943 -14.500  -2.830
  100   3HG2  THR 522          1HG2      THR 522   0.353 -13.739  -2.895
  101    H    ALA 523           H        ALA 523  -0.833 -11.468  -4.246
  102    HA   ALA 523           HA       ALA 523  -2.764 -12.247  -2.263
  103   1HB   ALA 523          3HB       ALA 523  -2.287  -9.429  -2.410
  104   2HB   ALA 523          2HB       ALA 523  -3.900  -9.741  -3.021
  105   3HB   ALA 523          1HB       ALA 523  -3.463 -10.288  -1.405
  106    H    THR 524           H        THR 524  -4.943 -10.838  -3.904
  107    HA   THR 524           HA       THR 524  -4.723 -11.611  -6.640
  108    HB   THR 524           HB       THR 524  -4.421 -13.856  -6.182
  109    HG1  THR 524           HG1      THR 524  -6.280 -14.770  -6.715
  110   1HG2  THR 524          2HG2      THR 524  -5.248 -12.954  -3.612
  111   2HG2  THR 524          1HG2      THR 524  -6.198 -14.399  -4.004
  112   3HG2  THR 524          3HG2      THR 524  -4.433 -14.466  -4.025
  113    H    THR 525           H        THR 525  -6.255 -10.280  -7.468
  114    HA   THR 525           HA       THR 525  -8.982 -10.683  -6.224
  115    HB   THR 525           HB       THR 525  -7.852  -8.486  -5.545
  116    HG1  THR 525           HG1      THR 525 -10.183  -9.177  -5.626
  117   1HG2  THR 525          1HG2      THR 525  -7.544  -8.212  -8.277
  118   2HG2  THR 525          3HG2      THR 525  -8.954  -7.208  -7.946
  119   3HG2  THR 525          2HG2      THR 525  -7.442  -6.895  -7.108
  120    H    THR 526           H        THR 526 -10.153  -8.619  -8.006
  121    HA   THR 526           HA       THR 526 -10.250 -10.252 -10.496
  122    HB   THR 526           HB       THR 526 -12.332 -10.323  -9.353
  123    HG1  THR 526           HG1      THR 526 -12.219  -9.557 -11.672
  124   1HG2  THR 526          2HG2      THR 526 -12.050  -7.317  -9.053
  125   2HG2  THR 526          1HG2      THR 526 -13.516  -8.208  -8.648
  126   3HG2  THR 526          3HG2      THR 526 -12.025  -8.511  -7.757
  127    H    TYR 527           H        TYR 527  -8.258  -8.455 -10.513
  128    HA   TYR 527           HA       TYR 527  -7.423  -6.427 -11.404
  129   1HB   TYR 527          2HB       TYR 527  -8.234  -8.154 -13.304
  130   2HB   TYR 527          1HB       TYR 527  -9.289  -6.804 -13.683
  131    HD1  TYR 527           HD2      TYR 527  -8.240  -4.497 -14.143
  132    HD2  TYR 527           HD1      TYR 527  -5.916  -8.079 -13.774
  133    HE1  TYR 527           HE2      TYR 527  -6.275  -3.357 -15.149
  134    HE2  TYR 527           HE1      TYR 527  -3.990  -6.979 -14.710
  135    HH   TYR 527           HH       TYR 527  -3.129  -5.001 -15.396
  136    H    GLY 528           H        GLY 528  -9.702  -5.942  -9.639
  137   1HA   GLY 528          2HA       GLY 528 -10.664  -3.432 -10.918
  138   2HA   GLY 528          1HA       GLY 528 -11.857  -4.541 -10.246
  139    H    GLU 529           H        GLU 529 -10.866  -5.310  -7.849
  140    HA   GLU 529           HA       GLU 529 -11.256  -3.000  -6.204
  141   1HB   GLU 529          2HB       GLU 529 -10.813  -4.394  -4.344
  142   2HB   GLU 529          1HB       GLU 529 -11.609  -5.418  -5.531
  143   1HG   GLU 529          2HG       GLU 529  -9.475  -6.329  -6.232
  144   2HG   GLU 529          1HG       GLU 529  -8.623  -5.249  -5.131
  145    H    ASN 530           H        ASN 530  -9.216  -3.363  -4.231
  146    HA   ASN 530           HA       ASN 530  -6.645  -2.848  -5.574
  147   1HB   ASN 530          2HB       ASN 530  -8.195  -0.672  -5.414
  148   2HB   ASN 530          1HB       ASN 530  -7.533  -0.645  -3.778
  149   1HD2  ASN 530          2HD2      ASN 530  -4.326   0.369  -4.815
  150   2HD2  ASN 530          1HD2      ASN 530  -5.328  -0.059  -3.517
  151    H    ILE 531           H        ILE 531  -4.960  -3.245  -4.279
  152    HA   ILE 531           HA       ILE 531  -5.531  -3.719  -1.370
  153    HB   ILE 531           HB       ILE 531  -4.862  -5.725  -3.065
  154   1HG1  ILE 531          2HG1      ILE 531  -4.004  -5.296  -0.213
  155   2HG1  ILE 531          1HG1      ILE 531  -5.422  -6.150  -0.803
  156   1HG2  ILE 531          3HG2      ILE 531  -2.232  -4.569  -2.093
  157   2HG2  ILE 531          2HG2      ILE 531  -2.418  -6.174  -2.788
  158   3HG2  ILE 531          1HG2      ILE 531  -2.744  -4.744  -3.764
  159   1HD1  ILE 531          2HD1      ILE 531  -3.066  -7.295  -2.023
  160   2HD1  ILE 531          1HD1      ILE 531  -2.865  -7.241  -0.249
  161   3HD1  ILE 531          3HD1      ILE 531  -4.263  -8.048  -0.963
  162    H    TYR 532           H        TYR 532  -4.370  -2.159  -0.225
  163    HA   TYR 532           HA       TYR 532  -1.687  -1.483  -1.150
  164   1HB   TYR 532          2HB       TYR 532  -2.176   0.920  -1.249
  165   2HB   TYR 532          1HB       TYR 532  -2.894  -0.004  -2.533
  166    HD1  TYR 532           HD2      TYR 532  -5.474  -0.939  -1.510
  167    HD2  TYR 532           HD1      TYR 532  -3.296   2.725  -0.694
  168    HE1  TYR 532           HE2      TYR 532  -7.583   0.201  -0.884
  169    HE2  TYR 532           HE1      TYR 532  -5.441   3.833  -0.084
  170    HH   TYR 532           HH       TYR 532  -8.400   2.694  -0.885
  171    H    LEU 533           H        LEU 533  -1.364   0.938   0.359
  172    HA   LEU 533           HA       LEU 533  -2.253  -0.003   2.998
  173   1HB   LEU 533          2HB       LEU 533  -0.093  -0.013   4.004
  174   2HB   LEU 533          1HB       LEU 533   0.008  -0.982   2.544
  175    HG   LEU 533           HG       LEU 533   0.670   1.878   2.217
  176   1HD1  LEU 533          1HD1      LEU 533   1.687   0.719   4.457
  177   2HD1  LEU 533          3HD1      LEU 533   2.915   0.312   3.256
  178   3HD1  LEU 533          2HD1      LEU 533   2.485   2.002   3.541
  179   1HD2  LEU 533          2HD2      LEU 533   1.756  -0.780   1.297
  180   2HD2  LEU 533          1HD2      LEU 533   0.935   0.441   0.326
  181   3HD2  LEU 533          3HD2      LEU 533   2.564   0.744   0.931
  182    H    VAL 534           H        VAL 534  -3.054   1.441   4.118
  183    HA   VAL 534           HA       VAL 534  -2.704   4.286   3.568
  184    HB   VAL 534           HB       VAL 534  -4.879   3.190   4.337
  185   1HG1  VAL 534          1HG1      VAL 534  -3.536   1.883   6.179
  186   2HG1  VAL 534          3HG1      VAL 534  -3.858   3.358   7.104
  187   3HG1  VAL 534          2HG1      VAL 534  -5.197   2.422   6.452
  188   1HG2  VAL 534          3HG2      VAL 534  -3.743   5.587   5.482
  189   2HG2  VAL 534          2HG2      VAL 534  -5.353   5.303   4.861
  190   3HG2  VAL 534          1HG2      VAL 534  -4.971   4.827   6.517
  191    H    GLY 535           H        GLY 535  -0.539   4.721   4.002
  192   1HA   GLY 535          2HA       GLY 535   0.708   3.618   6.458
  193   2HA   GLY 535          1HA       GLY 535   1.554   4.577   5.219
  194    H    SER 536           H        SER 536   1.541   4.990   8.116
  195    HA   SER 536           HA       SER 536  -0.274   7.193   8.878
  196   1HB   SER 536          2HB       SER 536   0.285   5.636  10.524
  197   2HB   SER 536          1HB       SER 536   1.998   5.735  10.190
  198    HG   SER 536           HG       SER 536   0.948   6.965  12.069
  199    H    ILE 537           H        ILE 537   1.299   8.270   6.720
  200    HA   ILE 537           HA       ILE 537   2.896  10.116   8.264
  201    HB   ILE 537           HB       ILE 537   2.981   9.916   5.293
  202   1HG1  ILE 537          2HG1      ILE 537   4.092   8.160   7.374
  203   2HG1  ILE 537          1HG1      ILE 537   3.760   7.815   5.691
  204   1HG2  ILE 537          1HG2      ILE 537   4.182  11.656   7.223
  205   2HG2  ILE 537          3HG2      ILE 537   5.442  10.789   6.351
  206   3HG2  ILE 537          2HG2      ILE 537   4.251  11.728   5.468
  207   1HD1  ILE 537          1HD1      ILE 537   5.930   9.591   5.637
  208   2HD1  ILE 537          3HD1      ILE 537   6.276   8.481   6.958
  209   3HD1  ILE 537          2HD1      ILE 537   5.970   7.856   5.340
  210    H    SER 538           H        SER 538   2.660  12.321   8.146
  211    HA   SER 538           HA       SER 538   0.068  13.310   8.136
  212   1HB   SER 538          2HB       SER 538   2.710  14.555   7.613
  213   2HB   SER 538          1HB       SER 538   1.315  15.488   7.079
  214    HG   SER 538           HG       SER 538   2.226  14.976   9.593
  215    H    GLN 539           H        GLN 539   1.897  12.440   5.313
  216    HA   GLN 539           HA       GLN 539  -0.153  13.540   3.484
  217   1HB   GLN 539          2HB       GLN 539   2.518  13.581   3.126
  218   2HB   GLN 539          1HB       GLN 539   2.206  11.952   2.525
  219   1HG   GLN 539          2HG       GLN 539   0.417  12.936   1.038
  220   2HG   GLN 539          1HG       GLN 539   0.979  14.535   1.526
  221   1HE2  GLN 539          2HE2      GLN 539   3.466  12.219  -0.802
  222   2HE2  GLN 539          1HE2      GLN 539   2.318  11.456   0.190
  223    H    LEU 540           H        LEU 540   1.596  10.699   4.529
  224    HA   LEU 540           HA       LEU 540  -0.242   8.844   3.272
  225   1HB   LEU 540          2HB       LEU 540   2.315   8.641   4.637
  226   2HB   LEU 540          1HB       LEU 540   1.202   7.426   5.202
  227    HG   LEU 540           HG       LEU 540   2.114   7.912   2.373
  228   1HD1  LEU 540          3HD1      LEU 540   2.689   5.991   4.530
  229   2HD1  LEU 540          2HD1      LEU 540   2.301   5.221   2.988
  230   3HD1  LEU 540          1HD1      LEU 540   3.633   6.379   3.086
  231   1HD2  LEU 540          1HD2      LEU 540  -0.389   6.776   3.394
  232   2HD2  LEU 540          3HD2      LEU 540   0.043   7.236   1.747
  233   3HD2  LEU 540          2HD2      LEU 540   0.506   5.652   2.369
  234    H    GLY 541           H        GLY 541  -2.098   9.550   4.158
  235   1HA   GLY 541          2HA       GLY 541  -2.708   9.836   6.927
  236   2HA   GLY 541          1HA       GLY 541  -3.896   9.851   5.619
  237    H    ASP 542           H        ASP 542  -1.702   7.673   7.205
  238    HA   ASP 542           HA       ASP 542  -2.605   5.088   6.614
  239   1HB   ASP 542          2HB       ASP 542  -0.753   5.745   8.115
  240   2HB   ASP 542          1HB       ASP 542  -1.876   5.981   9.343
  241    H    TRP 543           H        TRP 543  -4.201   7.447   8.238
  242    HA   TRP 543           HA       TRP 543  -6.048   5.503   9.398
  243   1HB   TRP 543          2HB       TRP 543  -5.357   8.236  10.416
  244   2HB   TRP 543          1HB       TRP 543  -6.000   6.858  11.299
  245    HD1  TRP 543           HD1      TRP 543  -2.717   8.539  10.859
  246    HE1  TRP 543           HE1      TRP 543  -0.808   7.046  11.532
  247    HE3  TRP 543           HE3      TRP 543  -4.964   3.938  10.536
  248    HZ2  TRP 543           HZ2      TRP 543  -0.194   4.326  11.781
  249    HZ3  TRP 543           HZ3      TRP 543  -3.598   1.907  10.947
  250    HH2  TRP 543           HH2      TRP 543  -1.223   2.095  11.578
  251    H    GLU 544           H        GLU 544  -6.127   6.336   6.886
  252    HA   GLU 544           HA       GLU 544  -8.734   7.060   6.301
  253   1HB   GLU 544          2HB       GLU 544  -7.998   9.344   7.153
  254   2HB   GLU 544          1HB       GLU 544  -6.819   9.361   5.845
  255   1HG   GLU 544          2HG       GLU 544  -8.471   9.400   4.173
  256   2HG   GLU 544          1HG       GLU 544  -9.734   8.865   5.286
  257    H    THR 545           H        THR 545  -8.320   5.371   4.826
  258    HA   THR 545           HA       THR 545  -6.052   4.969   3.286
  259    HB   THR 545           HB       THR 545  -7.646   3.992   1.526
  260    HG1  THR 545           HG1      THR 545  -9.548   4.794   3.467
  261   1HG2  THR 545          2HG2      THR 545  -6.935   3.080   4.049
  262   2HG2  THR 545          1HG2      THR 545  -8.678   2.826   3.986
  263   3HG2  THR 545          3HG2      THR 545  -7.637   2.104   2.761
  264    H    SER 546           H        SER 546  -8.297   7.607   3.043
  265    HA   SER 546           HA       SER 546  -8.332   8.327   0.366
  266   1HB   SER 546          2HB       SER 546  -7.823  10.272   2.627
  267   2HB   SER 546          1HB       SER 546  -8.603  10.615   1.086
  268    HG   SER 546           HG       SER 546 -10.336   9.417   1.697
  269    H    ASP 547           H        ASP 547  -5.527   8.211   2.415
  270    HA   ASP 547           HA       ASP 547  -3.933   9.240   0.133
  271   1HB   ASP 547          2HB       ASP 547  -3.531  10.129   3.002
  272   2HB   ASP 547          1HB       ASP 547  -2.588  10.647   1.604
  273    H    GLY 548           H        GLY 548  -4.168   6.501   0.818
  274   1HA   GLY 548          2HA       GLY 548  -1.782   5.845   2.420
  275   2HA   GLY 548          1HA       GLY 548  -2.927   4.686   1.725
  276    H    ILE 549           H        ILE 549  -2.016   3.528   0.181
  277    HA   ILE 549           HA       ILE 549  -0.734   4.855  -2.037
  278    HB   ILE 549           HB       ILE 549   1.257   3.050  -1.740
  279   1HG1  ILE 549          2HG1      ILE 549   0.413   3.881   1.048
  280   2HG1  ILE 549          1HG1      ILE 549   0.437   2.238   0.406
  281   1HG2  ILE 549          1HG2      ILE 549   1.288   5.636  -1.981
  282   2HG2  ILE 549          3HG2      ILE 549   1.419   5.649  -0.223
  283   3HG2  ILE 549          2HG2      ILE 549   2.668   4.860  -1.192
  284   1HD1  ILE 549          3HD1      ILE 549   2.882   2.400   0.087
  285   2HD1  ILE 549          2HD1      ILE 549   2.855   4.037   0.742
  286   3HD1  ILE 549          1HD1      ILE 549   2.443   2.668   1.774
  287    H    ALA 550           H        ALA 550  -2.532   3.989  -3.020
  288    HA   ALA 550           HA       ALA 550  -3.442   1.379  -3.173
  289   1HB   ALA 550          2HB       ALA 550  -4.596   3.310  -3.933
  290   2HB   ALA 550          1HB       ALA 550  -3.452   3.501  -5.267
  291   3HB   ALA 550          3HB       ALA 550  -4.524   2.099  -5.216
  292    H    LEU 551           H        LEU 551  -2.907  -0.505  -4.212
  293    HA   LEU 551           HA       LEU 551  -0.676  -0.504  -6.264
  294   1HB   LEU 551          2HB       LEU 551  -1.464  -2.773  -4.384
  295   2HB   LEU 551          1HB       LEU 551  -0.196  -2.829  -5.574
  296    HG   LEU 551           HG       LEU 551   1.279  -1.792  -4.234
  297   1HD1  LEU 551          3HD1      LEU 551  -0.969  -0.230  -2.975
  298   2HD1  LEU 551          2HD1      LEU 551   0.747   0.003  -2.649
  299   3HD1  LEU 551          1HD1      LEU 551   0.097   0.362  -4.245
  300   1HD2  LEU 551          2HD2      LEU 551  -0.758  -3.122  -2.579
  301   2HD2  LEU 551          1HD2      LEU 551   0.983  -3.387  -2.653
  302   3HD2  LEU 551          3HD2      LEU 551   0.335  -2.053  -1.700
  303    H    SER 552           H        SER 552  -1.180  -1.626  -8.182
  304    HA   SER 552           HA       SER 552  -3.639  -3.304  -8.027
  305   1HB   SER 552          2HB       SER 552  -3.797  -0.955  -9.463
  306   2HB   SER 552          1HB       SER 552  -3.325  -2.167 -10.660
  307    HG   SER 552           HG       SER 552  -5.665  -1.879 -10.143
  308    H    ALA 553           H        ALA 553  -1.954  -2.828 -11.136
  309    HA   ALA 553           HA       ALA 553  -0.679  -5.418 -10.532
  310   1HB   ALA 553          1HB       ALA 553  -3.018  -5.158 -12.037
  311   2HB   ALA 553          3HB       ALA 553  -1.738  -5.452 -13.210
  312   3HB   ALA 553          2HB       ALA 553  -2.006  -6.584 -11.903
  313    H    ASP 554           H        ASP 554   1.264  -5.599 -11.041
  314    HA   ASP 554           HA       ASP 554   2.605  -3.902 -13.070
  315   1HB   ASP 554          2HB       ASP 554   4.661  -4.914 -12.353
  316   2HB   ASP 554          1HB       ASP 554   3.746  -4.621 -10.887
  317    H    LYS 555           H        LYS 555   0.479  -5.999 -13.715
  318    HA   LYS 555           HA       LYS 555   0.148  -7.428 -15.553
  319   1HB   LYS 555          2HB       LYS 555   3.026  -7.173 -16.330
  320   2HB   LYS 555          1HB       LYS 555   1.593  -7.143 -17.353
  321   1HG   LYS 555          2HG       LYS 555   1.518  -4.871 -17.284
  322   2HG   LYS 555          1HG       LYS 555   1.625  -4.825 -15.523
  323   1HD   LYS 555          2HD       LYS 555   4.174  -5.623 -16.350
  324   2HD   LYS 555          1HD       LYS 555   3.706  -4.380 -17.512
  325   1HE   LYS 555          2HE       LYS 555   3.003  -2.953 -15.523
  326   2HE   LYS 555          1HE       LYS 555   3.802  -4.141 -14.492
  327   1HZ   LYS 555          2HZ       LYS 555   5.696  -3.703 -16.304
  328   2HZ   LYS 555          1HZ       LYS 555   4.950  -2.177 -16.295
  329   3HZ   LYS 555          3HZ       LYS 555   5.570  -2.824 -14.856
  330    H    TYR 556           H        TYR 556  -0.071  -9.303 -14.071
  331    HA   TYR 556           HA       TYR 556   2.469 -10.881 -13.773
  332   1HB   TYR 556          2HB       TYR 556   0.338 -11.841 -12.036
  333   2HB   TYR 556          1HB       TYR 556   1.943 -11.344 -11.581
  334    HD1  TYR 556           HD2      TYR 556   1.328  -8.387 -12.665
  335    HD2  TYR 556           HD1      TYR 556  -0.626 -10.957  -9.831
  336    HE1  TYR 556           HE2      TYR 556   0.041  -6.573 -11.763
  337    HE2  TYR 556           HE1      TYR 556  -1.848  -9.151  -9.034
  338    HH   TYR 556           HH       TYR 556  -2.142  -7.039  -8.994
  339    H    THR 557           H        THR 557  -1.065 -11.304 -13.990
  340    HA   THR 557           HA       THR 557  -0.951 -13.193 -16.134
  341    HB   THR 557           HB       THR 557  -1.690 -14.318 -13.440
  342    HG1  THR 557           HG1      THR 557   0.403 -15.013 -15.202
  343   1HG2  THR 557          2HG2      THR 557  -1.801 -15.401 -16.250
  344   2HG2  THR 557          1HG2      THR 557  -1.759 -16.455 -14.837
  345   3HG2  THR 557          3HG2      THR 557  -3.100 -15.332 -15.060
  346    H    SER 558           H        SER 558  -3.366 -13.581 -13.702
  347    HA   SER 558           HA       SER 558  -5.463 -12.814 -15.579
  348   1HB   SER 558          2HB       SER 558  -5.914 -14.863 -14.697
  349   2HB   SER 558          1HB       SER 558  -5.372 -14.416 -13.082
  350    HG   SER 558           HG       SER 558  -7.782 -14.551 -13.711
  351    H    SER 559           H        SER 559  -4.748 -11.232 -12.219
  352    HA   SER 559           HA       SER 559  -6.787  -9.272 -13.085
  353   1HB   SER 559          2HB       SER 559  -7.363 -10.044 -10.370
  354   2HB   SER 559          1HB       SER 559  -8.429  -9.958 -11.761
  355    HG   SER 559           HG       SER 559  -8.364 -12.071 -11.365
  356    H    ASP 560           H        ASP 560  -5.712  -9.698  -9.724
  357    HA   ASP 560           HA       ASP 560  -3.940  -7.237  -9.892
  358   1HB   ASP 560          2HB       ASP 560  -6.533  -6.992  -9.161
  359   2HB   ASP 560          1HB       ASP 560  -5.773  -7.278  -7.593
  360    HA   PRO 561           HA       PRO 561  -3.343 -10.656  -6.173
  361   1HB   PRO 561          2HB       PRO 561  -1.653 -12.427  -7.453
  362   2HB   PRO 561          1HB       PRO 561  -3.373 -12.668  -7.120
  363   1HG   PRO 561          2HG       PRO 561  -2.099 -11.674  -9.633
  364   2HG   PRO 561          1HG       PRO 561  -3.462 -12.726  -9.411
  365   1HD   PRO 561          2HD       PRO 561  -3.744 -10.228 -10.133
  366   2HD   PRO 561          1HD       PRO 561  -4.896 -11.037  -9.045
  367    H    LEU 562           H        LEU 562  -0.365 -10.079  -8.242
  368    HA   LEU 562           HA       LEU 562   1.102 -10.120  -5.753
  369   1HB   LEU 562          2HB       LEU 562   3.070  -9.341  -7.091
  370   2HB   LEU 562          1HB       LEU 562   2.338 -10.809  -7.718
  371    HG   LEU 562           HG       LEU 562   1.427  -9.704  -9.580
  372   1HD1  LEU 562          2HD1      LEU 562   1.877  -7.116  -8.052
  373   2HD1  LEU 562          1HD1      LEU 562   1.480  -7.149  -9.759
  374   3HD1  LEU 562          3HD1      LEU 562   0.346  -7.798  -8.581
  375   1HD2  LEU 562          3HD2      LEU 562   4.109  -9.571  -9.102
  376   2HD2  LEU 562          2HD2      LEU 562   3.349  -9.149 -10.637
  377   3HD2  LEU 562          1HD2      LEU 562   3.737  -7.886  -9.468
  378    H    TRP 563           H        TRP 563  -0.864  -7.895  -7.229
  379    HA   TRP 563           HA       TRP 563  -0.998  -5.538  -7.208
  380   1HB   TRP 563          2HB       TRP 563  -0.465  -5.863  -4.286
  381   2HB   TRP 563          1HB       TRP 563  -1.542  -4.721  -5.093
  382    HD1  TRP 563           HD1      TRP 563  -1.121  -8.508  -4.885
  383    HE1  TRP 563           HE1      TRP 563  -3.469  -9.648  -4.704
  384    HE3  TRP 563           HE3      TRP 563  -4.009  -4.378  -5.309
  385    HZ2  TRP 563           HZ2      TRP 563  -6.181  -8.788  -4.767
  386    HZ3  TRP 563           HZ3      TRP 563  -6.476  -4.585  -5.263
  387    HH2  TRP 563           HH2      TRP 563  -7.542  -6.765  -4.994
  388    H    TYR 564           H        TYR 564   0.606  -4.461  -8.239
  389    HA   TYR 564           HA       TYR 564   3.192  -4.029  -6.794
  390   1HB   TYR 564          2HB       TYR 564   4.060  -3.192  -8.905
  391   2HB   TYR 564          1HB       TYR 564   3.197  -4.699  -9.207
  392    HD1  TYR 564           HD1      TYR 564   0.579  -2.810  -8.504
  393    HD2  TYR 564           HD2      TYR 564   3.561  -2.943 -11.548
  394    HE1  TYR 564           HE1      TYR 564  -0.916  -1.648  -9.943
  395    HE2  TYR 564           HE2      TYR 564   2.022  -1.768 -13.088
  396    HH   TYR 564           HH       TYR 564  -1.081  -1.555 -12.777
  397    H    VAL 565           H        VAL 565   4.132  -1.627  -7.097
  398    HA   VAL 565           HA       VAL 565   2.224   0.490  -7.408
  399    HB   VAL 565           HB       VAL 565   1.281  -0.369  -5.360
  400   1HG1  VAL 565          1HG1      VAL 565   4.141  -0.229  -4.526
  401   2HG1  VAL 565          3HG1      VAL 565   2.897  -0.017  -3.302
  402   3HG1  VAL 565          2HG1      VAL 565   2.982  -1.516  -4.235
  403   1HG2  VAL 565          2HG2      VAL 565   1.334   2.091  -5.730
  404   2HG2  VAL 565          1HG2      VAL 565   1.399   1.682  -4.016
  405   3HG2  VAL 565          3HG2      VAL 565   2.868   2.164  -4.862
  406    H    THR 566           H        THR 566   2.998   2.549  -6.954
  407    HA   THR 566           HA       THR 566   5.757   2.931  -5.998
  408    HB   THR 566           HB       THR 566   5.025   3.830  -8.801
  409    HG1  THR 566           HG1      THR 566   6.286   2.131  -9.503
  410   1HG2  THR 566          1HG2      THR 566   7.142   4.443  -6.947
  411   2HG2  THR 566          3HG2      THR 566   7.815   3.627  -8.359
  412   3HG2  THR 566          2HG2      THR 566   6.864   5.099  -8.561
  413    H    VAL 567           H        VAL 567   5.047   4.413  -4.452
  414    HA   VAL 567           HA       VAL 567   3.546   6.780  -5.515
  415    HB   VAL 567           HB       VAL 567   3.338   6.031  -2.630
  416   1HG1  VAL 567          2HG1      VAL 567   2.083   7.803  -4.502
  417   2HG1  VAL 567          1HG1      VAL 567   0.870   6.668  -3.911
  418   3HG1  VAL 567          3HG1      VAL 567   1.784   7.654  -2.770
  419   1HG2  VAL 567          2HG2      VAL 567   2.440   4.360  -4.897
  420   2HG2  VAL 567          1HG2      VAL 567   2.661   3.930  -3.201
  421   3HG2  VAL 567          3HG2      VAL 567   1.181   4.735  -3.720
  422    H    THR 568           H        THR 568   3.715   8.439  -3.311
  423    HA   THR 568           HA       THR 568   6.663   8.783  -2.956
  424    HB   THR 568           HB       THR 568   5.849  11.312  -2.749
  425    HG1  THR 568           HG1      THR 568   4.007  11.693  -3.714
  426   1HG2  THR 568          1HG2      THR 568   6.914   9.638  -4.847
  427   2HG2  THR 568          3HG2      THR 568   5.911  10.912  -5.540
  428   3HG2  THR 568          2HG2      THR 568   7.267  11.330  -4.493
  429    H    LEU 569           H        LEU 569   7.227  10.102  -1.014
  430    HA   LEU 569           HA       LEU 569   5.254  10.365   1.118
  431   1HB   LEU 569          2HB       LEU 569   5.782   7.915   1.159
  432   2HB   LEU 569          1HB       LEU 569   7.485   8.309   1.393
  433    HG   LEU 569           HG       LEU 569   6.094   7.724   3.480
  434   1HD1  LEU 569          1HD1      LEU 569   8.348   9.105   3.148
  435   2HD1  LEU 569          3HD1      LEU 569   7.362  10.410   3.809
  436   3HD1  LEU 569          2HD1      LEU 569   7.611   8.930   4.734
  437   1HD2  LEU 569          3HD2      LEU 569   4.380   9.641   2.495
  438   2HD2  LEU 569          2HD2      LEU 569   4.397   9.102   4.169
  439   3HD2  LEU 569          1HD2      LEU 569   5.281  10.560   3.698
  440    HA   PRO 570           HA       PRO 570   8.763  13.278   1.335
  441   1HB   PRO 570          2HB       PRO 570   7.182  15.497   1.632
  442   2HB   PRO 570          1HB       PRO 570   7.598  14.794   0.059
  443   1HG   PRO 570          2HG       PRO 570   5.008  14.708   1.519
  444   2HG   PRO 570          1HG       PRO 570   5.324  14.529  -0.214
  445   1HD   PRO 570          2HD       PRO 570   4.806  12.428   1.655
  446   2HD   PRO 570          1HD       PRO 570   5.303  12.249  -0.042
  447    H    ALA 571           H        ALA 571   9.672  13.016   3.396
  448    HA   ALA 571           HA       ALA 571   8.585  14.627   5.552
  449   1HB   ALA 571          3HB       ALA 571   8.464  11.617   5.779
  450   2HB   ALA 571          2HB       ALA 571   8.405  12.695   7.172
  451   3HB   ALA 571          1HB       ALA 571   7.141  12.765   5.950
  452    H    GLY 572           H        GLY 572  10.018  13.464   7.723
  453   1HA   GLY 572          2HA       GLY 572  12.803  13.083   6.791
  454   2HA   GLY 572          1HA       GLY 572  12.493  14.550   7.710
  455    H    GLU 573           H        GLU 573  11.029  11.372   8.252
  456    HA   GLU 573           HA       GLU 573  12.686  10.725  10.560
  457   1HB   GLU 573          2HB       GLU 573  10.947  12.598  11.232
  458   2HB   GLU 573          1HB       GLU 573   9.816  11.245  11.257
  459   1HG   GLU 573          2HG       GLU 573  10.557  10.980  13.395
  460   2HG   GLU 573          1HG       GLU 573  11.918  10.170  12.620
  461    H    SER 574           H        SER 574  10.122   9.378  11.710
  462    HA   SER 574           HA       SER 574   9.699   7.349   9.569
  463   1HB   SER 574          2HB       SER 574  10.086   5.501  11.068
  464   2HB   SER 574          1HB       SER 574  11.478   6.570  11.209
  465    HG   SER 574           HG       SER 574  10.779   7.245  13.144
  466    H    PHE 575           H        PHE 575   7.489   7.336   9.178
  467    HA   PHE 575           HA       PHE 575   5.706   8.022  11.476
  468   1HB   PHE 575          2HB       PHE 575   5.423   8.130   8.570
  469   2HB   PHE 575          1HB       PHE 575   3.987   7.584   9.431
  470    HD1  PHE 575           HD1      PHE 575   3.729   8.947  11.820
  471    HD2  PHE 575           HD2      PHE 575   5.482  10.453   8.217
  472    HE1  PHE 575           HE1      PHE 575   3.249  11.265  12.558
  473    HE2  PHE 575           HE2      PHE 575   5.002  12.774   8.941
  474    HZ   PHE 575           HZ       PHE 575   3.885  13.180  11.117
  475    H    GLU 576           H        GLU 576   3.411   6.581  10.934
  476    HA   GLU 576           HA       GLU 576   4.336   3.844  11.666
  477   1HB   GLU 576          2HB       GLU 576   1.912   5.417  12.156
  478   2HB   GLU 576          1HB       GLU 576   1.603   3.725  11.772
  479   1HG   GLU 576          2HG       GLU 576   3.840   3.901  13.570
  480   2HG   GLU 576          1HG       GLU 576   2.488   4.818  14.237
  481    H    TYR 577           H        TYR 577   2.791   2.026  10.723
  482    HA   TYR 577           HA       TYR 577   2.151   2.581   7.889
  483   1HB   TYR 577          2HB       TYR 577   4.437   0.945   8.803
  484   2HB   TYR 577          1HB       TYR 577   3.452   0.241   7.521
  485    HD1  TYR 577           HD2      TYR 577   5.275   3.383   8.488
  486    HD2  TYR 577           HD1      TYR 577   3.599   0.999   5.329
  487    HE1  TYR 577           HE2      TYR 577   6.233   4.908   6.813
  488    HE2  TYR 577           HE1      TYR 577   4.567   2.540   3.648
  489    HH   TYR 577           HH       TYR 577   5.291   5.209   3.818
  490    H    LYS 578           H        LYS 578   0.173   1.813   7.596
  491    HA   LYS 578           HA       LYS 578  -0.516  -0.865   8.724
  492   1HB   LYS 578          2HB       LYS 578  -1.615   1.341   9.780
  493   2HB   LYS 578          1HB       LYS 578  -2.678   1.167   8.383
  494   1HG   LYS 578          2HG       LYS 578  -3.835  -0.276   9.698
  495   2HG   LYS 578          1HG       LYS 578  -2.548  -1.415   9.300
  496   1HD   LYS 578          2HD       LYS 578  -2.145   0.486  11.582
  497   2HD   LYS 578          1HD       LYS 578  -3.158  -0.934  11.824
  498   1HE   LYS 578          2HE       LYS 578  -1.344  -2.257  11.975
  499   2HE   LYS 578          1HE       LYS 578  -0.762  -1.689  10.411
  500   1HZ   LYS 578          3HZ       LYS 578  -0.344   0.386  12.176
  501   2HZ   LYS 578          2HZ       LYS 578   0.144  -1.011  13.010
  502   3HZ   LYS 578          1HZ       LYS 578   0.832  -0.634  11.502
  503    H    PHE 579           H        PHE 579  -1.189  -2.225   7.110
  504    HA   PHE 579           HA       PHE 579  -1.681  -1.009   4.437
  505   1HB   PHE 579          2HB       PHE 579  -0.021  -2.848   4.609
  506   2HB   PHE 579          1HB       PHE 579  -1.291  -3.916   5.212
  507    HD1  PHE 579           HD1      PHE 579  -3.475  -4.000   3.740
  508    HD2  PHE 579           HD2      PHE 579   0.379  -2.789   2.296
  509    HE1  PHE 579           HE1      PHE 579  -4.186  -4.478   1.446
  510    HE2  PHE 579           HE2      PHE 579  -0.354  -3.276  -0.025
  511    HZ   PHE 579           HZ       PHE 579  -2.656  -4.110  -0.419
  512    H    ILE 580           H        ILE 580  -3.460  -1.407   3.273
  513    HA   ILE 580           HA       ILE 580  -5.763  -2.581   4.653
  514    HB   ILE 580           HB       ILE 580  -7.093  -0.689   3.955
  515   1HG1  ILE 580          2HG1      ILE 580  -4.836  -0.449   2.076
  516   2HG1  ILE 580          1HG1      ILE 580  -6.554  -0.061   1.852
  517   1HG2  ILE 580          2HG2      ILE 580  -4.370   0.254   4.898
  518   2HG2  ILE 580          1HG2      ILE 580  -5.855   1.203   4.989
  519   3HG2  ILE 580          3HG2      ILE 580  -5.688  -0.277   5.938
  520   1HD1  ILE 580          3HD1      ILE 580  -5.710   1.909   3.551
  521   2HD1  ILE 580          2HD1      ILE 580  -4.288   1.666   2.536
  522   3HD1  ILE 580          1HD1      ILE 580  -5.840   2.070   1.806
  523    H    ARG 581           H        ARG 581  -6.173  -4.472   3.509
  524    HA   ARG 581           HA       ARG 581  -5.757  -4.518   0.593
  525   1HB   ARG 581          2HB       ARG 581  -5.305  -6.620   1.496
  526   2HB   ARG 581          1HB       ARG 581  -6.648  -6.537   2.629
  527   1HG   ARG 581          2HG       ARG 581  -8.218  -7.164   1.029
  528   2HG   ARG 581          1HG       ARG 581  -7.262  -6.521  -0.304
  529   1HD   ARG 581          2HD       ARG 581  -5.570  -8.395   0.292
  530   2HD   ARG 581          1HD       ARG 581  -6.910  -9.120   1.178
  531    HE   ARG 581           HE       ARG 581  -7.486  -8.383  -1.617
  532   1HH1  ARG 581          2HH1      ARG 581  -9.183 -10.389  -0.440
  533   2HH1  ARG 581          1HH1      ARG 581  -8.479 -11.892  -0.934
  534   1HH2  ARG 581          1HH2      ARG 581  -5.423 -10.487  -1.778
  535   2HH2  ARG 581          2HH2      ARG 581  -6.350 -11.948  -1.691
  536    H    ILE 582           H        ILE 582  -7.177  -3.313  -0.520
  537    HA   ILE 582           HA       ILE 582  -9.980  -3.201   0.373
  538    HB   ILE 582           HB       ILE 582  -8.350  -1.416  -1.089
  539   1HG1  ILE 582          2HG1      ILE 582 -10.000  -0.843   0.603
  540   2HG1  ILE 582          1HG1      ILE 582 -10.454  -0.035  -0.904
  541   1HG2  ILE 582          2HG2      ILE 582 -10.329  -2.761  -2.867
  542   2HG2  ILE 582          1HG2      ILE 582 -10.429  -1.010  -2.823
  543   3HG2  ILE 582          3HG2      ILE 582  -8.926  -1.789  -3.277
  544   1HD1  ILE 582          3HD1      ILE 582 -11.785  -2.255  -1.365
  545   2HD1  ILE 582          2HD1      ILE 582 -11.686  -2.451   0.387
  546   3HD1  ILE 582          1HD1      ILE 582 -12.491  -1.037  -0.291
  547    H    GLU 583           H        GLU 583 -11.724  -4.197  -0.533
  548    HA   GLU 583           HA       GLU 583 -11.120  -6.449  -2.346
  549   1HB   GLU 583          2HB       GLU 583 -12.549  -6.418  -0.109
  550   2HB   GLU 583          1HB       GLU 583 -13.838  -5.990  -1.234
  551   1HG   GLU 583          2HG       GLU 583 -13.637  -7.999  -2.434
  552   2HG   GLU 583          1HG       GLU 583 -12.011  -8.308  -1.824
  553    H    SER 584           H        SER 584 -12.965  -7.032  -3.921
  554    HA   SER 584           HA       SER 584 -13.330  -4.795  -5.761
  555   1HB   SER 584          2HB       SER 584 -14.396  -6.480  -7.215
  556   2HB   SER 584          1HB       SER 584 -12.859  -7.073  -6.591
  557    HG   SER 584           HG       SER 584 -13.917  -8.393  -5.222
  558    H    ASP 585           H        ASP 585 -15.137  -6.141  -3.187
  559    HA   ASP 585           HA       ASP 585 -17.681  -5.074  -4.213
  560   1HB   ASP 585          2HB       ASP 585 -18.138  -5.876  -1.644
  561   2HB   ASP 585          1HB       ASP 585 -18.383  -6.901  -3.045
  562    H    ASP 586           H        ASP 586 -15.182  -3.519  -3.392
  563    HA   ASP 586           HA       ASP 586 -14.732  -1.504  -2.246
  564   1HB   ASP 586          2HB       ASP 586 -17.124  -1.140  -3.373
  565   2HB   ASP 586          1HB       ASP 586 -17.646  -1.113  -1.688
  566    H    SER 587           H        SER 587 -13.811  -2.727  -0.468
  567    HA   SER 587           HA       SER 587 -15.040  -2.178   2.111
  568   1HB   SER 587          2HB       SER 587 -16.050  -4.390   0.950
  569   2HB   SER 587          1HB       SER 587 -14.602  -5.071   1.682
  570    HG   SER 587           HG       SER 587 -15.381  -4.664   3.635
  571    H    VAL 588           H        VAL 588 -13.071  -1.558   3.104
  572    HA   VAL 588           HA       VAL 588 -10.644  -2.998   2.264
  573    HB   VAL 588           HB       VAL 588 -10.421  -1.133   4.530
  574   1HG1  VAL 588          1HG1      VAL 588  -9.028  -1.710   1.927
  575   2HG1  VAL 588          3HG1      VAL 588  -8.590  -0.310   2.914
  576   3HG1  VAL 588          2HG1      VAL 588  -8.428  -1.940   3.573
  577   1HG2  VAL 588          3HG2      VAL 588 -11.250  -0.170   1.784
  578   2HG2  VAL 588          2HG2      VAL 588 -12.137   0.053   3.292
  579   3HG2  VAL 588          1HG2      VAL 588 -10.578   0.842   3.063
  580    H    GLU 589           H        GLU 589  -9.404  -4.258   3.511
  581    HA   GLU 589           HA       GLU 589 -10.436  -5.080   6.195
  582   1HB   GLU 589          2HB       GLU 589  -8.745  -7.064   5.631
  583   2HB   GLU 589          1HB       GLU 589 -10.397  -7.116   4.995
  584   1HG   GLU 589          2HG       GLU 589  -9.694  -6.298   2.877
  585   2HG   GLU 589          1HG       GLU 589  -8.103  -5.839   3.504
  586    H    TRP 590           H        TRP 590  -9.249  -2.987   6.665
  587    HA   TRP 590           HA       TRP 590  -6.634  -2.402   6.170
  588   1HB   TRP 590          2HB       TRP 590  -8.374  -1.888   8.514
  589   2HB   TRP 590          1HB       TRP 590  -6.650  -1.523   8.664
  590    HD1  TRP 590           HD1      TRP 590  -8.591  -1.266   5.391
  591    HE1  TRP 590           HE1      TRP 590  -8.554   1.163   4.585
  592    HE3  TRP 590           HE3      TRP 590  -6.348   0.945   9.395
  593    HZ2  TRP 590           HZ2      TRP 590  -7.738   3.775   5.570
  594    HZ3  TRP 590           HZ3      TRP 590  -5.950   3.384   9.386
  595    HH2  TRP 590           HH2      TRP 590  -6.630   4.798   7.558
  596    H    GLU 591           H        GLU 591  -5.343  -4.257   5.960
  597    HA   GLU 591           HA       GLU 591  -4.959  -6.248   7.944
  598   1HB   GLU 591          2HB       GLU 591  -3.985  -6.622   5.789
  599   2HB   GLU 591          1HB       GLU 591  -3.112  -5.090   5.849
  600   1HG   GLU 591          2HG       GLU 591  -1.475  -5.917   7.234
  601   2HG   GLU 591          1HG       GLU 591  -2.581  -7.027   8.044
  602    H    SER 592           H        SER 592  -4.906  -5.266   9.961
  603    HA   SER 592           HA       SER 592  -2.785  -3.249  10.423
  604   1HB   SER 592          2HB       SER 592  -5.040  -2.540  10.991
  605   2HB   SER 592          1HB       SER 592  -5.291  -3.995  11.957
  606    HG   SER 592           HG       SER 592  -3.040  -2.596  12.665
  607    H    ASP 593           H        ASP 593  -2.489  -6.242  10.225
  608    HA   ASP 593           HA       ASP 593  -1.687  -6.964  12.976
  609   1HB   ASP 593          2HB       ASP 593  -2.285  -8.423  10.505
  610   2HB   ASP 593          1HB       ASP 593  -0.827  -9.008  11.308
  611    HA   PRO 594           HA       PRO 594   2.596  -6.944  10.914
  612   1HB   PRO 594          2HB       PRO 594   2.775  -6.548   8.200
  613   2HB   PRO 594          1HB       PRO 594   2.616  -8.151   8.940
  614   1HG   PRO 594          2HG       PRO 594   0.555  -6.526   7.507
  615   2HG   PRO 594          1HG       PRO 594   0.704  -8.286   7.639
  616   1HD   PRO 594          2HD       PRO 594  -1.087  -6.703   9.109
  617   2HD   PRO 594          1HD       PRO 594  -0.603  -8.366   9.508
  618    H    ASN 595           H        ASN 595   3.016  -4.897  11.839
  619    HA   ASN 595           HA       ASN 595   2.274  -2.501  10.209
  620   1HB   ASN 595          2HB       ASN 595   2.422  -1.222  12.289
  621   2HB   ASN 595          1HB       ASN 595   1.338  -2.595  12.515
  622   1HD2  ASN 595          2HD2      ASN 595   3.251  -3.862  15.172
  623   2HD2  ASN 595          1HD2      ASN 595   1.746  -3.757  14.394
  624    H    ARG 596           H        ARG 596   3.884  -0.669  10.341
  625    HA   ARG 596           HA       ARG 596   6.646  -1.349  11.029
  626   1HB   ARG 596          2HB       ARG 596   5.637  -1.618   8.278
  627   2HB   ARG 596          1HB       ARG 596   7.072  -0.601   8.413
  628   1HG   ARG 596          2HG       ARG 596   8.164  -2.419   9.753
  629   2HG   ARG 596          1HG       ARG 596   6.764  -3.441   9.425
  630   1HD   ARG 596          2HD       ARG 596   7.741  -2.248   6.974
  631   2HD   ARG 596          1HD       ARG 596   9.034  -3.120   7.795
  632    HE   ARG 596           HE       ARG 596   6.756  -4.329   6.493
  633   1HH1  ARG 596          1HH2      ARG 596   5.824  -5.756   8.519
  634   2HH1  ARG 596          2HH2      ARG 596   7.005  -6.936   8.979
  635   1HH2  ARG 596          2HH1      ARG 596   9.622  -5.335   7.364
  636   2HH2  ARG 596          1HH1      ARG 596   9.155  -6.698   8.325
  637    H    GLU 597           H        GLU 597   7.951   0.612   9.524
  638    HA   GLU 597           HA       GLU 597   6.442   3.131   9.916
  639   1HB   GLU 597          2HB       GLU 597   8.583   4.018  11.120
  640   2HB   GLU 597          1HB       GLU 597   7.419   3.073  12.049
  641   1HG   GLU 597          2HG       GLU 597   8.793   1.018  11.495
  642   2HG   GLU 597          1HG       GLU 597  10.018   2.103  10.836
  643    H    TYR 598           H        TYR 598   7.510   4.960   8.821
  644    HA   TYR 598           HA       TYR 598   9.917   4.859   7.428
  645   1HB   TYR 598          2HB       TYR 598   8.442   3.067   6.182
  646   2HB   TYR 598          1HB       TYR 598   7.619   4.477   5.536
  647    HD1  TYR 598           HD1      TYR 598  10.390   6.146   5.762
  648    HD2  TYR 598           HD2      TYR 598   9.098   2.502   3.829
  649    HE1  TYR 598           HE1      TYR 598  12.124   6.429   3.995
  650    HE2  TYR 598           HE2      TYR 598  10.846   2.784   2.124
  651    HH   TYR 598           HH       TYR 598  13.371   5.091   2.417
  652    H    THR 599           H        THR 599  10.019   7.011   7.940
  653    HA   THR 599           HA       THR 599   8.066   8.736   6.529
  654    HB   THR 599           HB       THR 599   8.946   8.952   9.327
  655    HG1  THR 599           HG1      THR 599   6.915   9.512   9.604
  656   1HG2  THR 599          3HG2      THR 599   9.324  11.151   7.601
  657   2HG2  THR 599          2HG2      THR 599   7.969  11.474   8.663
  658   3HG2  THR 599          1HG2      THR 599   9.538  11.058   9.336
  659    H    VAL 600           H        VAL 600  11.085   7.541   6.790
  660    HA   VAL 600           HA       VAL 600  13.007   7.893   5.681
  661    HB   VAL 600           HB       VAL 600  12.007  10.229   4.186
  662   1HG1  VAL 600          1HG1      VAL 600  13.598   7.814   3.910
  663   2HG1  VAL 600          3HG1      VAL 600  12.538   8.098   2.537
  664   3HG1  VAL 600          2HG1      VAL 600  13.705   9.337   3.012
  665   1HG2  VAL 600          3HG2      VAL 600  10.397   7.739   4.497
  666   2HG2  VAL 600          2HG2      VAL 600   9.883   9.362   4.048
  667   3HG2  VAL 600          1HG2      VAL 600  10.637   8.315   2.847
  668    HA   PRO 601           HA       PRO 601  14.633  11.216   8.185
  669   1HB   PRO 601          2HB       PRO 601  17.265  10.491   7.884
  670   2HB   PRO 601          1HB       PRO 601  16.153   9.688   9.007
  671   1HG   PRO 601          2HG       PRO 601  17.210   8.713   6.397
  672   2HG   PRO 601          1HG       PRO 601  16.629   7.785   7.790
  673   1HD   PRO 601          2HD       PRO 601  15.186   8.290   5.399
  674   2HD   PRO 601          1HD       PRO 601  14.524   7.621   6.905
  675    H    GLN 602           H        GLN 602  16.944  12.553   7.691
  676    HA   GLN 602           HA       GLN 602  16.328  14.046   5.260
  677   1HB   GLN 602          2HB       GLN 602  18.276  14.308   7.518
  678   2HB   GLN 602          1HB       GLN 602  18.621  15.165   6.015
  679   1HG   GLN 602          2HG       GLN 602  16.380  16.211   6.104
  680   2HG   GLN 602          1HG       GLN 602  16.060  15.377   7.625
  681   1HE2  GLN 602          2HE2      GLN 602  17.325  18.734   8.559
  682   2HE2  GLN 602          1HE2      GLN 602  15.940  18.106   7.805
  683    H    ALA 603           H        ALA 603  19.616  13.115   6.199
  684    HA   ALA 603           HA       ALA 603  21.334  12.129   4.942
  685   1HB   ALA 603          1HB       ALA 603  18.998  10.543   4.548
  686   2HB   ALA 603          3HB       ALA 603  19.813  10.682   2.990
  687   3HB   ALA 603          2HB       ALA 603  20.683  10.048   4.387
  688    H    CYS 604           H        CYS 604  22.087  11.899   2.537
  689    HA   CYS 604           HA       CYS 604  20.783  13.880   0.758
  690   1HB   CYS 604          2HB       CYS 604  22.382  15.248   1.966
  691   2HB   CYS 604          1HB       CYS 604  23.660  14.061   1.702
  692    H    GLY 605           H        GLY 605  20.374  11.694  -0.264
  693   1HA   GLY 605          2HA       GLY 605  22.420  11.197  -2.301
  694   2HA   GLY 605          1HA       GLY 605  22.161   9.843  -1.200
  695    H    THR 606           H        THR 606  20.401   8.525  -1.547
  696    HA   THR 606           HA       THR 606  18.782   9.079  -3.952
  697    HB   THR 606           HB       THR 606  17.813   6.726  -3.038
  698    HG1  THR 606           HG1      THR 606  20.495   6.505  -2.309
  699   1HG2  THR 606          3HG2      THR 606  19.984   7.566  -4.828
  700   2HG2  THR 606          2HG2      THR 606  20.142   5.903  -4.261
  701   3HG2  THR 606          1HG2      THR 606  18.680   6.412  -5.106
  702    H    SER 607           H        SER 607  16.382   8.787  -3.824
  703    HA   SER 607           HA       SER 607  15.293   9.532  -1.144
  704   1HB   SER 607          2HB       SER 607  13.749  11.107  -2.280
  705   2HB   SER 607          1HB       SER 607  15.434  11.566  -2.512
  706    HG   SER 607           HG       SER 607  14.136  11.576  -4.453
  707    H    THR 608           H        THR 608  15.317   6.923  -2.277
  708    HA   THR 608           HA       THR 608  12.426   6.360  -2.282
  709    HB   THR 608           HB       THR 608  12.480   5.134  -4.429
  710    HG1  THR 608           HG1      THR 608  14.519   5.956  -5.678
  711   1HG2  THR 608          2HG2      THR 608  11.903   7.614  -4.293
  712   2HG2  THR 608          1HG2      THR 608  13.530   7.930  -4.894
  713   3HG2  THR 608          3HG2      THR 608  12.385   7.024  -5.884
  714    H    ALA 609           H        ALA 609  12.036   4.253  -1.615
  715    HA   ALA 609           HA       ALA 609  14.430   2.479  -1.332
  716   1HB   ALA 609          2HB       ALA 609  13.977   3.771   0.804
  717   2HB   ALA 609          1HB       ALA 609  12.440   2.912   0.908
  718   3HB   ALA 609          3HB       ALA 609  13.958   2.016   0.976
  719    H    THR 610           H        THR 610  12.994   0.513   0.210
  720    HA   THR 610           HA       THR 610  10.965  -0.379  -1.808
  721    HB   THR 610           HB       THR 610  11.681  -2.675  -1.402
  722    HG1  THR 610           HG1      THR 610  13.492  -1.478   0.423
  723   1HG2  THR 610          3HG2      THR 610  13.137  -0.812  -2.773
  724   2HG2  THR 610          2HG2      THR 610  14.358  -1.467  -1.682
  725   3HG2  THR 610          1HG2      THR 610  13.486  -2.541  -2.776
  726    H    VAL 611           H        VAL 611   9.371  -1.870  -0.925
  727    HA   VAL 611           HA       VAL 611   8.876  -1.764   1.969
  728    HB   VAL 611           HB       VAL 611   6.700  -0.642   0.308
  729   1HG1  VAL 611          3HG1      VAL 611   7.465  -0.699   3.063
  730   2HG1  VAL 611          2HG1      VAL 611   7.393   0.997   2.539
  731   3HG1  VAL 611          1HG1      VAL 611   5.971  -0.055   2.374
  732   1HG2  VAL 611          1HG2      VAL 611   8.747   0.528  -0.539
  733   2HG2  VAL 611          3HG2      VAL 611   7.517   1.587   0.177
  734   3HG2  VAL 611          2HG2      VAL 611   8.965   1.145   1.108
  735    H    THR 612           H        THR 612   9.122  -4.125   1.069
  736    HA   THR 612           HA       THR 612   6.715  -5.026  -0.406
  737    HB   THR 612           HB       THR 612   8.198  -7.262  -0.127
  738    HG1  THR 612           HG1      THR 612  10.373  -6.341  -0.657
  739   1HG2  THR 612          1HG2      THR 612   8.265  -5.064  -2.168
  740   2HG2  THR 612          3HG2      THR 612   9.110  -6.596  -2.402
  741   3HG2  THR 612          2HG2      THR 612   7.357  -6.578  -2.194
  742    H    ASP 613           H        ASP 613   5.453  -6.728   0.183
  743    HA   ASP 613           HA       ASP 613   5.829  -8.143   2.642
  744   1HB   ASP 613          2HB       ASP 613   4.095  -5.757   2.605
  745   2HB   ASP 613          1HB       ASP 613   3.325  -7.199   3.267
  746    H    THR 614           H        THR 614   3.157  -9.040   3.015
  747    HA   THR 614           HA       THR 614   1.966  -9.677   0.450
  748    HB   THR 614           HB       THR 614   3.325 -11.391  -0.062
  749    HG1  THR 614           HG1      THR 614   2.294 -13.150   0.470
  750   1HG2  THR 614          3HG2      THR 614   4.157 -11.177   2.807
  751   2HG2  THR 614          2HG2      THR 614   4.577 -12.634   1.906
  752   3HG2  THR 614          1HG2      THR 614   5.134 -11.058   1.343
  753    H    TRP 615           H        TRP 615   0.204 -11.224   0.667
  754    HA   TRP 615           HA       TRP 615  -1.254 -10.576   3.128
  755   1HB   TRP 615          2HB       TRP 615  -1.920 -10.850   0.357
  756   2HB   TRP 615          1HB       TRP 615  -2.916 -11.960   1.295
  757    HD1  TRP 615           HD1      TRP 615  -5.055 -10.537   1.256
  758    HE1  TRP 615           HE1      TRP 615  -5.751  -8.369   2.495
  759    HE3  TRP 615           HE3      TRP 615  -0.514  -8.872   2.493
  760    HZ2  TRP 615           HZ2      TRP 615  -4.451  -6.165   3.803
  761    HZ3  TRP 615           HZ3      TRP 615  -0.186  -6.760   3.688
  762    HH2  TRP 615           HH2      TRP 615  -2.107  -5.404   4.326
  763    H    ARG 616           H        ARG 616  -2.209 -12.058   4.471
  764    HA   ARG 616           HA       ARG 616  -1.430 -14.920   4.008
  765   1HB   ARG 616          2HB       ARG 616  -0.330 -13.436   5.950
  766   2HB   ARG 616          1HB       ARG 616  -1.806 -13.912   6.791
  767   1HG   ARG 616          2HG       ARG 616   0.022 -15.532   7.193
  768   2HG   ARG 616          1HG       ARG 616  -1.322 -16.279   6.329
  769   1HD   ARG 616          2HD       ARG 616  -0.159 -16.336   4.299
  770   2HD   ARG 616          1HD       ARG 616   0.950 -15.055   4.787
  771    HE   ARG 616           HE       ARG 616   2.318 -16.703   5.771
  772   1HH1  ARG 616          1HH2      ARG 616  -0.888 -17.859   5.208
  773   2HH1  ARG 616          2HH2      ARG 616  -0.524 -19.483   5.683
  774   1HH2  ARG 616          1HH1      ARG 616   2.801 -18.816   6.403
  775   2HH2  ARG 616          2HH1      ARG 616   1.561 -20.025   6.359
   
  No H/Q in entry =         775