*HEADER    MEMBRANE PROTEIN                        27-JAN-12   2LOV              
*TITLE     AR55 SOLUBILISED IN LPPG MICELLES                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: APELIN RECEPTOR;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-55;                                         
*COMPND   5 SYNONYM: ANGIOTENSIN RECEPTOR-LIKE 1, G-PROTEIN COUPLED RECEPTOR APJ,
*COMPND   6 G-PROTEIN COUPLED RECEPTOR HG11;                                     
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: APLNR, AGTRL1, APJ;                                            
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PEXP5-CT                                   
*KEYWDS    MEMBRANE PROTEIN                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    40                                                                    
*AUTHOR    D.N.LANGELAAN, J.K.RAINEY                                             
*REVDAT   1   16-JAN-13 2LOV    0                                                


!!!!!! 13C edited NOEs from APJ55_LPPG_37C

assign   (resid     24 and name   HH2)         (resid     24 and name   HZ3)   2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     52 and name  HG2*)   2.900   1.100   1.100
assign   (resid     27 and name    HA)         (resid     27 and name   HB*)   2.300   0.500   0.500
assign   (resid     16 and name   HG*)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     49 and name  HG**)         (resid     50 and name    HN)   3.400   1.600   1.600
assign   (resid     43 and name  HG2*)         
         ((resid     42 and name    HN)   or   (resid     46 and name    HN)) 
  3.400   1.600   1.600
assign   (resid     40 and name    HG)         (resid     39 and name   HD*)   3.900   2.100   2.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HN)   3.400   1.600   1.600
assign   (resid     41 and name    HA)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name   HB*)         (resid     37 and name  HD**)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     46 and name    HA)   2.300   0.500   0.500
assign   (resid     30 and name   HB*)         (resid     30 and name    HA)   3.400   1.600   1.600
!assign (resid   58 and name HA*) (resid   55 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 3. (52 viol avg 0.790)
assign   (resid     57 and name   HG*)         (resid     57 and name   HD*)   2.300   0.500   0.500
assign   (resid     36 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
!assign   (resid     51 and name   HD1)         
!         ((resid     49 and name    HN)   or   (resid     53 and name    HN))
!        3.900 2.100 2.100 ! incr to 6.0 after round 8. (27 viol avg 0.387)
assign   (resid      6 and name   HB*)         (resid      7 and name   HD*)   3.900   2.100   2.100
assign   (resid     24 and name    HA)         (resid     24 and name   HB*)   2.300   0.500   0.500
assign   (resid     52 and name  HG2*)         (resid     52 and name    HA)   2.900   1.100   1.100
assign   (resid     26 and name    HA)         (resid     25 and name   HD*)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid     48 and name    HG)         (resid     48 and name    HA)   2.900   1.100   1.100
!assign (resid   58 and name HA*) (resid   57 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (30 viol avg 0.247)
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     52 and name  HG2*)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     43 and name    HB)   2.900   1.100   1.100
assign   (resid     57 and name    HA)         (resid     57 and name   HB*)   2.300   0.500   0.500
assign   (resid     40 and name   HB*)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     54 and name    HA)   2.900   1.100   1.100
assign   (resid     29 and name    HA)         (resid     29 and name    HN)   2.900   1.100   1.100
assign (resid   20 and name HA) (resid   21 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (64 viol avg 0.093)
assign   (resid     24 and name   HH2)         (resid     24 and name   HZ2)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     44 and name  HG2*)   2.900   1.100   1.100
assign   (resid     34 and name  HD1*)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     52 and name  HG2*)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     24 and name    HA)         (resid     24 and name   HB*)   2.900   1.100   1.100
assign   (resid     31 and name  HG2*)         (resid     31 and name    HN)   3.900   2.100   2.100
assign   (resid     32 and name   HD*)         (resid     31 and name    HN)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name    HN)   3.400   1.600   1.600
assign   ((resid     50 and name    HN)   or   (resid     56 and name    HN))
         (resid     53 and name    HA)   
  3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     47 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name    HB)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name   HD1)         (resid     51 and name   HE1)   2.900   1.100   1.100
assign   (resid     20 and name    HA)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     28 and name    HN)   3.900   2.100   2.100
assign   (resid     52 and name    HB)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name  HD**)         (resid     37 and name    HA)   2.900   1.100   1.100
!assign (resid   58 and name HA*) (resid   57 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (25 viol avg 0.168)
assign   (resid     48 and name    HG)         (resid     48 and name  HD**)   2.300   0.500   0.500
assign   (resid     39 and name   HB*)         (resid     38 and name  HG**)   3.400   1.600   1.600
assign   (resid     11 and name    HA)         (resid     11 and name   HB*)   2.300   0.500   0.500
assign   (resid     34 and name  HD1*)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     56 and name    HN)   3.400   1.600   1.600
assign   (resid     20 and name    HN)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     48 and name    HG)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name   HB*)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid      6 and name   HB*)         (resid      7 and name   HD*)   3.900   2.100   2.100
assign   (resid      1 and name   HB*)         (resid      1 and name    HA)   2.900   1.100   1.100
!assign   (resid     27 and name    HA)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     36 and name   HE*)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     42 and name   HA*)   2.900   1.100   1.100
assign   (resid     36 and name   HE*)         (resid     33 and name    HN)   3.900   2.100   2.100
assign   (resid     30 and name    HA)         (resid     31 and name  HD1*)   3.400   1.600   1.600
assign   (resid     30 and name    HN)         (resid     30 and name   HB*)   2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HG)   2.300   0.500   0.500
assign   (resid     41 and name    HA)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     48 and name    HA)   3.400   1.600   1.600
assign   (resid     59 and name   HB*)         (resid     59 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name    HA)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     56 and name    HA)   3.400   1.600   1.600
assign   (resid     52 and name    HB)         
         ((resid     49 and name    HN)   or   (resid     53 and name    HN))
        3.400 1.600 1.600 ! incr to 5.0 after round 15. (25 viol avg 0.128)
assign   (resid     26 and name    HA)         (resid     26 and name   HB*)   2.300   0.500   0.500
assign   (resid     38 and name    HB)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name    HA)   3.400   1.600   1.600
assign   (resid     50 and name    HG)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid      8 and name   HB*)         (resid      8 and name    HA)   2.300   0.500   0.500
assign   (resid     37 and name   HB*)         
         ((resid     35 and name    HA)   or   (resid     37 and name    HA))
         2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     56 and name   HE*)   3.400   1.600   1.600
!assign (resid   29 and name HA) (resid   31 and name HD1*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 14
!assign (resid   29 and name HB*) (resid   32 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (59 viol avg 0.509)
assign   (resid     22 and name    HB)         (resid     22 and name  HG2*)   2.900   1.100   1.100
assign   (resid     59 and name   HB*)         (resid     59 and name    HN)   2.900   1.100   1.100
!assign (resid   31 and name HN) (resid   32 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (82 viol avg 0.059)
assign   ((resid   49 and name HN) or (resid   48 and name HN) or (resid   53 and name HN))
         (resid   52 and name HA)  
        3.400 1.600 1.600 ! incr to 6.0 after round 2. (80 viol avg 1.310)
assign   (resid     30 and name  HD**)         (resid     30 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name   HB*)   2.300   0.500   0.500
assign   (resid     11 and name   HB*)         (resid     12 and name    HN)   3.400   1.600   1.600
assign   (resid     25 and name   HD*)         (resid     25 and name   HG*)   2.300   0.500   0.500
assign   (resid     20 and name   HG*)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign   (resid     34 and name  HD1*)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name  HD1*)   3.400   1.600   1.600
assign   (resid     56 and name   HE*)         (resid     56 and name   HG*)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     52 and name    HB)         (resid     49 and name  HG**)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     50 and name   HB*)   3.400   1.600   1.600
assign   (resid     41 and name   HB*)         (resid     41 and name    HG)   2.300   0.500   0.500
assign   (resid     37 and name   HB*)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid     37 and name  HD**)         (resid     37 and name    HN)   3.400   1.600   1.600
assign   (resid     57 and name   HG*)         (resid     57 and name   HD*)   2.300   0.500   0.500
assign   (resid     27 and name   HB*)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     24 and name    HA)         (resid     24 and name   HB*)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     56 and name   HE*)   3.900   2.100   2.100
assign   (resid     48 and name    HA)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     49 and name    HN)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     61 and name   HB*)         (resid     61 and name    HA)   2.300   0.500   0.500
assign   (resid     17 and name   HB*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid      6 and name   HB*)         (resid      6 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   ((resid     31 and name    HB)   or   (resid     32 and name   HG*))
         (resid     33 and name    HA)
        3.400 1.600 1.600 ! incr to 5.0 after round 9. (63 viol avg 0.135)
assign   (resid     30 and name  HD**)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name   HD*)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     54 and name   HD*)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     50 and name   HB*)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign (resid   32 and name HB*) (resid   35 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (91 viol avg 0.444)
assign (resid   55 and name HG*) (resid   55 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 13. (30 viol avg 0.090)
assign   (resid     19 and name    HA)         (resid     19 and name   HB*)   2.300   0.500   0.500
assign   (resid     54 and name    HA)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     59 and name   HB*)         (resid     59 and name   HD2)   2.900   1.100   1.100
assign   (resid     37 and name    HA)         (resid     38 and name    HA)   3.400   1.600   1.600
assign   (resid     64 and name   HB*)         (resid     64 and name   HD2)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         
         ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
         3.400   1.600   1.600
assign   (resid      1 and name   HE*)         (resid      3 and name    HA)   3.900   2.100   2.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     20 and name    HN)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign   (resid     57 and name   HB*)         (resid     57 and name   HE*)   3.400   1.600   1.600
assign   (resid     51 and name   HD1)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   (resid     10 and name    HA)         (resid     10 and name   HD*)   3.400   1.600   1.600
assign   (resid     30 and name   HB*)         (resid     30 and name    HG)   2.300   0.500   0.500
assign   (resid     31 and name  HG1*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     38 and name  HG**)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)         (resid     35 and name   HB*)   3.900   2.100   2.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     21 and name    HN)         (resid     20 and name   HB*)   2.900   1.100   1.100
!assign   ((resid   48 and name HG) or (resid   30 and name HG))
!         ((resid   51 and name HE3) or (resid   33 and name HN))
!        3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign   (resid     34 and name  HD1*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     41 and name   HB*)         (resid     41 and name    HN)   3.400   1.600   1.600
assign   (resid     18 and name   HB*)         (resid     18 and name    HA)   2.300   0.500   0.500
assign   (resid     31 and name  HG2*)         (resid     35 and name   HE*)   3.900   2.100   2.100
assign   (resid     58 and name   HA*)         (resid     59 and name   HB*)   3.400   1.600   1.600
assign   (resid     55 and name    HA)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     30 and name  HD**)         (resid     29 and name   HB*)   3.900   2.100   2.100
assign   (resid     41 and name    HA)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid      6 and name   HB*)         (resid      6 and name    HA)   2.300   0.500   0.500
assign   ((resid     34 and name    HG2*)   or   (resid     31 and name  HG2*))
         (resid     35 and name    HA)
   3.400   1.600   1.600
!assign   (resid   38 and name HB) 
!         ((resid   37 and name HA) or (resid   41 and name HA)) 
!        3.900 2.100 2.100 ! incr to 6.0 after round 5. (79 viol avg 0.420)
assign   (resid     24 and name    HA)         (resid     25 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name    HA)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     37 and name    HG)   2.900   1.100   1.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HA)   2.300   0.500   0.500
assign   (resid     37 and name   HB*)         (resid     37 and name  HD**)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
!assign (resid   31 and name HG2*) (resid   29 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     24 and name   HB*)         (resid     24 and name   HD1)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
!assign (resid   56 and name HA) (resid   55 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (36 viol avg 0.284)
assign   (resid     10 and name   HD*)         (resid     10 and name   HE*)   2.900   1.100   1.100
assign   (resid     25 and name   HD*)         (resid     25 and name   HE*)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     34 and name  HD1*)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid     27 and name    HA)         (resid     28 and name    HN)   2.900   1.100   1.100
assign   ((resid   31 and name HN) or (resid   37 and name HN))
         (resid   34 and name HA)  
         2.900 1.100 1.100 ! incr to 5.0 after round 1. (88 viol avg 1.147)
assign (resid   48 and name HB*) (resid   45 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (29 viol avg 0.280)
assign (resid   26 and name HA) (resid   26 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (87 viol avg 0.122)
!assign (resid   36 and name HB*) (resid   33 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 11. (55 viol avg 0.109)
assign   (resid     43 and name  HG2*)         (resid     43 and name    HB)   2.300   0.500   0.500
assign   (resid     14 and name   HB*)         (resid     14 and name    HA)   2.300   0.500   0.500
assign   (resid     57 and name   HG*)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   (resid      2 and name    HA)         (resid      2 and name   HG*)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     24 and name   HD1)         (resid     24 and name    HN)   3.400   1.600   1.600
assign   (resid     16 and name   HB*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     41 and name    HG)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   ((resid     31 and name    HN)   or   (resid     36 and name    HN))
         (resid     33 and name    HA)   
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (64 viol avg 0.579)
assign   (resid   37 and name HB*) 
         ((resid   35 and name HN) or (resid   38 and name HN))
         2.900 1.100 1.100 ! incr to 5.0 after round 1. (54 viol avg 1.250)
assign   (resid     15 and name   HB*)         (resid     15 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      3 and name   HB*)   2.900   1.100   1.100
assign   (resid     43 and name    HN)         (resid     43 and name    HA)   2.900   1.100   1.100
assign   (resid     57 and name   HD*)         (resid     57 and name   HE*)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name    HB)   3.400   1.600   1.600
assign   (resid     43 and name    HB)
         ((resid     45 and name    HN)   or   (resid     46 and name    HN))
   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     21 and name   HB*)   2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     54 and name   HD*)   3.400   1.600   1.600
assign   (resid     56 and name    HA)         (resid     56 and name   HD*)   2.900   1.100   1.100
!assign (resid   29 and name HB*) (resid   33 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign   (resid     40 and name   HB*)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign   (resid     20 and name    HN)         (resid     20 and name   HB*)   2.900   1.100   1.100
!assign (resid   48 and name HA) (resid   44 and name HG2*)  3.900 2.100 2.100 ! incr to 6.0 after round 3. (67 viol avg 0.826)
assign   (resid     56 and name   HE*)         (resid     56 and name   HD*)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid   32 and name HA)              (resid   32 and name HB*)       2.900   1.100   1.100 ! incr to 5.0 after round 1. (82 viol avg 1.275)
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     49 and name  HG**)         (resid     52 and name    HN)   3.400   1.600   1.600
!assign   (resid     32 and name   HD*)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     60 and name   HB*)         (resid     60 and name    HA)   2.300   0.500   0.500
assign   (resid     59 and name   HB*)         (resid     59 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name  HD1*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     24 and name   HZ2)         (resid     24 and name   HE1)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid      4 and name   HA*)         (resid      5 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name    HA)   3.400   1.600   1.600
assign   ((resid   31 and name HN) or (resid   36 and name HN))
         (resid   32 and name HB*)  
         3.400 1.600 1.600 ! incr to 5.0 after round 5. (74 viol avg 0.350)
assign   (resid     36 and name   HE*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     40 and name  HD**)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     44 and name    HB)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     36 and name   HG*)   3.900   2.100   2.100
assign   ((resid     12 and name   HA*)   or   (resid     17 and name   HB*))
         (resid     13 and name   HB*)
   3.400   1.600   1.600
assign   (resid     38 and name    HB)         (resid     38 and name  HG**)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     54 and name   HB*)   3.400   1.600   1.600
assign   (resid     64 and name   HB*)         (resid     64 and name    HA)   2.900   1.100   1.100
assign   (resid     60 and name    HA)         (resid     60 and name   HD2)   3.400   1.600   1.600
assign   (resid     35 and name   HE*)         (resid     35 and name   HD*)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      3 and name   HB*)   2.300   0.500   0.500
assign (resid   33 and name HB*) 
   ((resid   34 and name HB) or (resid   36 and name HE*))
    3.400 1.600 1.600 ! incr to 6.0 after round 11. (70 viol avg 0.080)
assign   (resid     31 and name    HA)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HG)   2.300   0.500   0.500
assign   (resid     57 and name   HD*)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     50 and name   HB*)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     35 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name   HD*)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     11 and name   HE*)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign (resid   51 and name HD1) 
  ((resid   51 and name HN) or (resid   52 and name HN))
   3.900 2.100 2.100 ! incr to 6.0 after round 10. (58 viol avg 0.145)
assign   (resid     13 and name   HB*)         (resid     14 and name    HN)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     27 and name   HB*)         (resid     30 and name  HD**)   3.900   2.100   2.100
assign   (resid     50 and name   HB*)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid     34 and name    HB)         (resid     34 and name  HG1*)   2.900   1.100   1.100
!assign   (resid     27 and name   HB*)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     60 and name    HA)   2.300   0.500   0.500
assign   (resid     34 and name    HA)         (resid     34 and name  HG1*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     23 and name   HB*)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     47 and name   HA*)   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     48 and name    HA)         (resid     48 and name  HD**)   2.900   1.100   1.100
assign   ((resid     49 and name    HN)   or   (resid     53 and name    HN))
         (resid     53 and name    HA)   
         2.900   1.100   1.100
assign   (resid     56 and name   HE*)         (resid     56 and name   HD*)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         
         ((resid     51 and name    HA)   or   (resid     46 and name    HA))
         3.400   1.600   1.600
assign   ((resid   50 and name HA) or (resid   40 and name HA))
         ((resid   53 and name HB) or (resid   38 and name HB))
         3.400 1.600 1.600 ! incr to 5.0 after round 7. (29 viol avg 0.461)
assign   (resid     41 and name  HD**)         (resid     38 and name    HA)   3.400   1.600   1.600
assign   (resid     18 and name   HG*)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     14 and name    HN)         (resid     13 and name    HA)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      3 and name   HG*)   2.900   1.100   1.100
assign (resid   36 and name HG*) (resid   36 and name HE*)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (93 viol avg 0.603)
assign   ((resid   35 and name HN) or (resid   38 and name HN))
         (resid   34 and name HG2*)  
  3.400 1.600 1.600 ! incr to 5.0 after round 6. (77 viol avg 0.270)
assign   (resid     51 and name   HE3)         (resid     51 and name   HZ3)   3.400   1.600   1.600
assign   (resid     24 and name   HZ3)         (resid     24 and name   HE3)   3.400   1.600   1.600
assign   (resid     51 and name   HB*)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign (resid   32 and name HG*) (resid   32 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (100 viol avg 0.561)
assign   (resid     56 and name   HG*)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     22 and name    HN)   3.400   1.600   1.600
assign   (resid     55 and name   HG*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     49 and name    HA)   3.400   1.600   1.600
assign   (resid     50 and name    HG)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     50 and name    HA)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     25 and name   HD*)         (resid     25 and name   HG*)   2.900   1.100   1.100
assign   (resid     32 and name    HA)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign   (resid     48 and name    HA)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   (resid     21 and name   HB*)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign   (resid     23 and name   HB*)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name  HD**)   2.900   1.100   1.100
!assign (resid   31 and name HG1*) (resid   35 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (27 viol avg 0.069)
assign   (resid     14 and name   HB*)         (resid     14 and name    HA)   2.300   0.500   0.500
assign (resid   25 and name HG*) (resid   25 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (96 viol avg 0.504)
assign   (resid     11 and name    HA)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   (resid     44 and name  HG2*)         (resid     41 and name    HN)   3.400   1.600   1.600
assign   (resid     21 and name   HD*)         (resid     21 and name   HE*)   2.900   1.100   1.100
assign   (resid     40 and name    HG)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     47 and name   HA*)   2.900   1.100   1.100
!assign (resid   29 and name HB*) (resid   31 and name HG1*)  3.400 1.600 1.600 ! incr to 5.0 after round 13. (44 viol avg 0.184)
assign   (resid     34 and name    HA)         (resid     34 and name  HG2*)   2.900   1.100   1.100
!assign (resid   34 and name HD1*) (resid   31 and name HG1*)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (94 viol avg 0.776)
!assign (resid   31 and name HD1*) (resid   32 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 3. (97 viol avg 0.668)
assign   (resid     18 and name   HG*)         (resid     18 and name    HA)   2.900   1.100   1.100
assign   (resid      8 and name    HA)         (resid      9 and name    HN)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     39 and name   HB*)   3.400   1.600   1.600
assign   (resid   29 and name HB*) 
         ((resid   31 and name HB) or (resid   32 and name HG*))
         3.400 1.600 1.600 ! incr to 6.0 after round 3. (81 viol avg 0.675)
assign   (resid     52 and name  HG2*)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   (resid     10 and name   HD*)         (resid     10 and name   HB*)   3.400   1.600   1.600
assign   (resid     29 and name    HN)         (resid     29 and name   HB*)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name  HG2*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   ((resid   37 and name HA) or (resid   35 and name HA))
       (resid   38 and name HG**)  
        2.900 1.100 1.100 ! incr to 5.0 after round 6. (57 viol avg 0.363)
assign   (resid      3 and name   HB*)         (resid      3 and name    HN)   3.400   1.600   1.600
assign   (resid     30 and name    HA)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   ((resid     35 and name   HE*)   or   (resid     38 and name    HN))
         (resid     35 and name    HN)   
  3.900   2.100   2.100
assign (resid   19 and name HB*) (resid   18 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 16. (25 viol avg 0.099)
!assign (resid   49 and name HG**) (resid   51 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (50 viol avg 0.508)
assign   (resid     31 and name  HG2*)         (resid     35 and name   HD*)   3.900   2.100   2.100
assign   ((resid     38 and name    HN)   or   (resid     35 and name   HN))
         (resid     36 and name   HG*)
   3.400   1.600   1.600
assign   (resid     53 and name    HA)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     18 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name    HA)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     44 and name    HB)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name    HA)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name    HA)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     12 and name   HA*)         (resid     13 and name    HA)   3.400   1.600   1.600
assign   (resid     20 and name   HG*)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign (resid   36 and name HG*) (resid   36 and name HE*)  2.900 1.100 1.100 ! incr to 5.0 after round 3. (93 viol avg 0.603)
assign   (resid   29 and name HA) 
         ((resid   31 and name HB) or (resid   32 and name HG*))
         3.400 1.600 1.600 ! incr to 6.0 after round 3. (67 viol avg 0.614)
assign   (resid     41 and name  HD**)         (resid     41 and name    HG)   2.900   1.100   1.100
assign (resid   30 and name HN) (resid   33 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (81 viol avg 0.086)
assign   (resid     20 and name    HA)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign   (resid     44 and name  HG2*)         (resid     44 and name    HB)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     54 and name   HB*)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign   (resid     56 and name    HA)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     50 and name  HD**)   3.900   2.100   2.100
!assign (resid   52 and name HG2*) (resid   51 and name HD1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign   (resid     16 and name   HG*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign   (resid      2 and name    HA)         (resid      2 and name   HB*)   2.900   1.100   1.100
assign   (resid      2 and name    HA)         (resid      3 and name    HN)   2.900   1.100   1.100
assign   (resid     11 and name   HE*)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     21 and name   HB*)         (resid     21 and name    HA)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     26 and name    HA)         (resid     26 and name   HB*)   2.300   0.500   0.500
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     37 and name   HB*)         
         ((resid     36 and name    HN)   or   (resid     37 and name    HN))
         2.900   1.100   1.100
assign   (resid     35 and name   HE*)         (resid     35 and name   HD*)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     56 and name    HN)   3.400   1.600   1.600
assign   (resid     63 and name   HD2)         (resid     63 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name    HG)         (resid     45 and name   HA*)   2.900   1.100   1.100
assign   (resid     37 and name    HA)         (resid     37 and name    HG)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HN)   3.400   1.600   1.600
assign   (resid     35 and name    HA)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid      6 and name   HB*)         (resid      6 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name    HA)         (resid     31 and name    HB)   3.400   1.600   1.600
!assign (resid   30 and name HD**) (resid   32 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (72 viol avg 1.148)
assign   (resid     39 and name   HD*)         (resid     38 and name  HG**)   3.900   2.100   2.100
assign   (resid      1 and name   HB*)         (resid      1 and name    HA)   2.900   1.100   1.100
assign   (resid     61 and name   HB*)         (resid     61 and name   HD2)   2.900   1.100   1.100
!assign (resid   31 and name HG1*) (resid   33 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 2.031)
assign   (resid     56 and name    HN)         (resid     56 and name   HB*)   3.400   1.600   1.600
assign   (resid     61 and name   HB*)         (resid     61 and name    HA)   2.300   0.500   0.500
!assign (resid   29 and name HB*) (resid   31 and name HG1*)  3.400 1.600 1.600 ! incr to 5.0 after round 13. (44 viol avg 0.184)
assign   (resid     22 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     42 and name   HA*)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     32 and name    HA)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign (resid   17 and name HN) (resid   17 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 15. (38 viol avg 0.059)
assign   (resid     44 and name  HG2*)         (resid     41 and name    HG)   3.400   1.600   1.600
assign   (resid     48 and name    HG)         (resid     48 and name  HD**)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name   HE*)   2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     42 and name   HA*)   3.400   1.600   1.600
assign   (resid     31 and name  HD1*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     60 and name   HD2)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     53 and name    HA)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     36 and name   HG*)   3.900   2.100   2.100
assign   (resid     54 and name   HD*)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     48 and name  HD**)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name   HE*)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid     63 and name   HB*)         (resid     63 and name    HN)   2.900   1.100   1.100
assign   ((resid     35 and name    HA)   or   (resid     37 and name    HA))
         (resid     35 and name   HE*)   
         3.400   1.600   1.600
assign   (resid     64 and name   HB*)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     27 and name   HB*)         (resid     30 and name  HD**)   3.400   1.600   1.600
assign   (resid     41 and name    HA)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     33 and name    HN)   3.900   2.100   2.100
assign   (resid     18 and name   HB*)         (resid     18 and name    HA)   2.900   1.100   1.100
assign   (resid     26 and name   HB*)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name    HN)   3.400   1.600   1.600
!assign (resid   44 and name HG2*) (resid   44 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (62 viol avg 0.330)
assign   (resid     16 and name   HG*)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     11 and name   HB*)         (resid     11 and name   HE*)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     34 and name  HG2*)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name  HH**)   3.400   1.600   1.600
!assign (resid   30 and name HD**) (resid   31 and name HG1*)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (39 viol avg 0.130)
assign   (resid     60 and name   HB*)         (resid     60 and name    HN)   2.900   1.100   1.100
assign (resid   16 and name HA) (resid   16 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (51 viol avg 0.123)
assign   (resid     57 and name   HG*)         (resid     57 and name   HE*)   2.900   1.100   1.100
!assign (resid   31 and name HG1*) (resid   35 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 2.051)
assign   (resid      7 and name    HA)         (resid      7 and name    HN)   3.400   1.600   1.600
assign   (resid      7 and name   HB*)         (resid      7 and name    HA)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     37 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name    HA)         (resid     48 and name  HD**)   3.400   1.600   1.600
assign   (resid     58 and name   HA*)         (resid     58 and name    HN)   2.900   1.100   1.100
assign   ((resid   29 and name HA) or (resid   32 and name HA) or (resid   36 and name HA))
         ((resid   31 and name HG2*) or (resid   34 and name HG2*))
         3.400 1.600 1.600 ! incr to 6.0 after round 2. (75 viol avg 1.234)
assign   (resid     36 and name    HN)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     61 and name   HB*)         (resid     61 and name   HD2)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     21 and name   HD*)   3.400   1.600   1.600
assign   (resid     30 and name    HN)         (resid     30 and name   HB*)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name  HH**)   2.900   1.100   1.100
assign   (resid     46 and name    HA)         (resid     49 and name    HB)   3.400   1.600   1.600
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)
         ((resid     31 and name    HN)   or   (resid     36 and name   HN)  or   (resid     37 and name   HN))
        3.400 1.600 1.600 ! incr to 5.0 after round 13. (50 viol avg 0.077)
assign   (resid     41 and name   HB*)         (resid     41 and name    HG)   2.900   1.100   1.100
assign   (resid   19 and name HB*) 
         ((resid   18 and name HA) or (resid   16 and name HA))
          3.400 1.600 1.600 ! incr to 5.0 after round 5. (66 viol avg 0.488)
assign   (resid     38 and name  HG**)         (resid     35 and name    HA)   3.400   1.600   1.600
!assign (resid   36 and name HE*) (resid   37 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (45 viol avg 0.254)
assign   (resid     43 and name    HB)         (resid     43 and name    HA)   2.300   0.500   0.500
assign   (resid     10 and name   HB*)         (resid     10 and name    HN)   2.300   0.500   0.500
assign   (resid     34 and name  HG2*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     27 and name    HA)         (resid     27 and name   HB*)   2.300   0.500   0.500
assign   (resid     38 and name    HB)         (resid     39 and name   HB*)   2.900   1.100   1.100
assign (resid   17 and name HN) (resid   16 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 6. (82 viol avg 0.306)
assign   (resid     31 and name  HD1*)         (resid     35 and name    HN)   3.900   2.100   2.100
assign   (resid     43 and name  HG2*)         (resid     39 and name   HD*)   3.400   1.600   1.600
assign   (resid     11 and name   HB*)         (resid     11 and name   HD*)   3.400   1.600   1.600
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   ((resid   32 and name HG*) or (resid   38 and name HB)or (resid   31 and name HB))
         (resid   35 and name HE*)  
        3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign   (resid     11 and name    HA)         (resid     11 and name   HD*)   3.400   1.600   1.600
assign   (resid     60 and name   HB*)         (resid     60 and name   HD2)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     46 and name    HA)   2.900   1.100   1.100
assign   (resid     34 and name    HB)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     40 and name    HA)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     31 and name  HD1*)   3.400   1.600   1.600
assign (resid   43 and name HG2*) (resid   41 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (86 viol avg 0.387)
assign   (resid     32 and name    HA)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HA)   2.900   1.100   1.100
!assign (resid   29 and name HA) (resid   31 and name HG1*)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (93 viol avg 0.588)
!assign (resid   36 and name HB*) (resid   35 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (38 viol avg 0.244)
assign   (resid   53 and name HG**) 
         ((resid   56 and name HB*) or (resid   57 and name HB*))
        3.400 1.600 1.600 ! incr to 5.0 after round 13. (38 viol avg 0.196)
assign   (resid     31 and name  HG2*)         (resid     31 and name  HG1*)   2.300   0.500   0.500
assign   (resid     40 and name    HA)         (resid     44 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name    HA)         (resid     41 and name    HG)   2.900   1.100   1.100
!assign (resid   33 and name HB*) (resid   31 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (62 viol avg 0.236)
assign   (resid     33 and name   HB*)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name    HG)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid     51 and name   HE3)         (resid     51 and name   HZ3)   3.400   1.600   1.600
assign   (resid     11 and name    HA)         (resid     11 and name    HN)   2.900   1.100   1.100
assign (resid   31 and name HA) (resid   34 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 13. (33 viol avg 0.118)
assign   (resid     52 and name  HG2*)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     31 and name    HA)         (resid     31 and name    HB)   2.900   1.100   1.100
assign (resid   22 and name HB) (resid   23 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (71 viol avg 0.080)
assign (resid   20 and name HA) (resid   19 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (54 viol avg 0.576)
assign   (resid      1 and name    HA)         (resid      1 and name   HG*)   3.400   1.600   1.600
!assign (resid   33 and name HB*) (resid   35 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign   (resid     44 and name  HG2*)
         ((resid     45 and name    HN)   or   (resid     46 and name  HN))
   3.400   1.600   1.600
assign   (resid      6 and name   HB*)         (resid      6 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name   HE*)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name    HA)   2.300   0.500   0.500
!assign (resid   36 and name HE*) (resid   39 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 1. (51 viol avg 1.253)
assign   (resid     44 and name    HN)         (resid     44 and name    HA)   2.900   1.100   1.100
!assign (resid   55 and name HG*) (resid   53 and name HG**)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (70 viol avg 2.209)
assign   (resid     53 and name  HG**)         
         ((resid     54 and name   HD*)   or   (resid     51 and name   HH2))
         3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     35 and name   HD*)   3.900   2.100   2.100
!assign (resid   33 and name HB*) (resid   31 and name HG1*)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (99 viol avg 0.759)
assign   (resid     55 and name   HG*)         (resid     55 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     57 and name   HE*)   3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   3.400   1.600   1.600
assign   (resid     37 and name   HB*)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     53 and name    HB)   3.900   2.100   2.100
assign   (resid     64 and name   HB*)         (resid     64 and name   HD2)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     51 and name   HB*)   3.400   1.600   1.600
!assign (resid   34 and name HD1*) (resid   33 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (31 viol avg 0.207)
!assign (resid   31 and name HG1*) (resid   30 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (76 viol avg 0.155)
assign   (resid     53 and name  HG**)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid      8 and name   HB*)         (resid      8 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HA)   2.900   1.100   1.100
!assign (resid   36 and name HG*) (resid   35 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (26 viol avg 0.232)
assign   (resid     51 and name   HB*)         (resid     51 and name    HA)   3.400   1.600   1.600
assign   (resid      1 and name   HB*)         (resid      3 and name    HA)   3.400   1.600   1.600
assign   (resid     57 and name   HD*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name   HZ3)         (resid     24 and name   HE3)   3.400   1.600   1.600
assign   (resid     23 and name   HB*)         (resid     22 and name    HA)   3.400   1.600   1.600
assign   (resid     21 and name   HB*)         (resid     21 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     18 and name   HB*)         (resid     18 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HB)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name  HD1*)   2.900   1.100   1.100
!assign (resid   56 and name HD*) (resid   55 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (50 viol avg 0.110)
assign   (resid     32 and name   HG*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid     45 and name    HN)         (resid     44 and name    HA)   2.900   1.100   1.100
!assign (resid   44 and name HG2*) (resid   42 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (61 viol avg 0.196)
assign   (resid     41 and name  HD**)         (resid     41 and name    HN)   3.400   1.600   1.600
assign   (resid     59 and name   HB*)         (resid     59 and name   HD2)   2.900   1.100   1.100
assign   (resid     27 and name    HA)         (resid     27 and name   HB*)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     41 and name    HN)   2.900   1.100   1.100
assign (resid   20 and name HN) (resid   19 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (67 viol avg 0.096)
assign   (resid     43 and name  HG2*)         (resid     40 and name    HG)   3.400   1.600   1.600
assign (resid   11 and name HA) (resid   11 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (39 viol avg 0.407)
assign   (resid     28 and name    HN)         (resid     28 and name   HA*)   2.300   0.500   0.500
assign   (resid     20 and name   HG*)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     39 and name   HB*)   3.400   1.600   1.600
assign   (resid     49 and name    HA)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid     59 and name   HB*)         (resid     59 and name   HD2)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     38 and name  HG**)   3.400   1.600   1.600
assign   (resid     30 and name  HD**)         (resid     30 and name    HA)   2.900   1.100   1.100
assign (resid   24 and name HA) (resid   24 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (25 viol avg 0.096)
assign   (resid     38 and name    HB)         (resid     38 and name  HG**)   2.900   1.100   1.100
assign   ((resid     50 and name    HN)   or   (resid     56 and name    HN))
         (resid     53 and name  HG**)   
         3.900   2.100   2.100
assign   (resid     27 and name    HA)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     29 and name    HA)         (resid     29 and name   HB*)   2.900   1.100   1.100
assign   (resid     14 and name   HB*)         (resid     14 and name    HN)   2.900   1.100   1.100
!assign (resid   49 and name HG**) (resid   51 and name HZ3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign   (resid     31 and name  HG2*)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     11 and name   HB*)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     59 and name   HB*)   2.900   1.100   1.100
assign   ((resid     41 and name  HD**)   or   (resid     48 and name  HD**)   or   (resid     40 and name  HD**))
         (resid     44 and name    HB)   
         3.900   2.100   2.100
assign   (resid     52 and name  HG2*)         (resid     52 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     32 and name   HG*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid   53 and name HA) 
         ((resid   50 and name HB*) or (resid   56 and name HB*))
         3.400 1.600 1.600 ! incr to 5.0 after round 3. (82 viol avg 0.639)
assign   (resid     35 and name   HB*)         (resid     35 and name   HD*)   3.400   1.600   1.600
assign   (resid     40 and name   HB*)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     26 and name    HA)   3.400   1.600   1.600
!assign (resid   40 and name HG) (resid   36 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (82 viol avg 0.332)
assign   ((resid     27 and name   HB*)   or   (resid     26 and name    HB*))
         (resid     28 and name    HN)
   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     22 and name    HA)   2.300   0.500   0.500
assign   (resid     53 and name    HN)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     41 and name    HG)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     48 and name    HN)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     12 and name   HA*)         
         ((resid     13 and name    HN)   or   (resid     11 and name    HN))
         2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     51 and name    HA)   3.900   2.100   2.100
assign   (resid     54 and name   HB*)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign (resid   56 and name HA) (resid   56 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (65 viol avg 0.244)
assign   (resid     52 and name    HB)         (resid     52 and name  HG2*)   2.300   0.500   0.500
assign   (resid     25 and name   HE*)         (resid     25 and name    HA)   3.900   2.100   2.100
assign   (resid     48 and name    HG)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name  HD**)         (resid     37 and name    HG)   2.900   1.100   1.100
assign   (resid     14 and name   HB*)         (resid     14 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     16 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HA)   2.900   1.100   1.100
assign (resid   24 and name HA) (resid   24 and name HD1)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (63 viol avg 0.076)
assign   (resid     10 and name   HD*)         (resid     10 and name   HB*)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     29 and name   HB*)   3.400   1.600   1.600
assign   (resid     34 and name    HB)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     39 and name   HD*)         (resid     40 and name  HD**)   3.900   2.100   2.100
assign   (resid     24 and name   HB*)         (resid     24 and name   HD1)   2.900   1.100   1.100
assign   (resid     22 and name    HA)         (resid     23 and name    HA)   3.400   1.600   1.600
assign   (resid     44 and name  HG2*)         (resid     44 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid      3 and name   HG*)         (resid      2 and name    HN)   3.900   2.100   2.100
assign   (resid     53 and name  HG**)         (resid     54 and name   HD*)   3.900   2.100   2.100
assign   (resid     35 and name    HA)         (resid     35 and name   HD*)   3.400   1.600   1.600
assign   (resid     31 and name  HG1*)         (resid     31 and name  HD1*)   2.900   1.100   1.100
assign   (resid     50 and name    HG)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     35 and name    HN)   3.400   1.600   1.600
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     42 and name   HA*)   3.400   1.600   1.600
assign   (resid     37 and name    HA)         (resid     37 and name    HG)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     39 and name   HD*)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name    HA)         (resid     54 and name   HD*)   3.900   2.100   2.100
assign   (resid     56 and name    HA)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name   HD*)         (resid     10 and name   HE*)   2.300   0.500   0.500
assign (resid   57 and name HA) (resid   57 and name HE*)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (52 viol avg 0.268)
assign   (resid     57 and name   HG*)         (resid     58 and name    HN)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   (resid     27 and name    HA)         
         ((resid     30 and name    HN)   or   (resid     29 and name    HN))
         3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     20 and name   HB*)   2.900   1.100   1.100
!assign (resid   31 and name HG2*) (resid   29 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid   33 and name HB*) 
         ((resid   36 and name HA) or (resid   32 and name HA))
         3.400 1.600 1.600 ! incr to 5.0 after round 1. (100 viol avg 2.555)
assign   (resid      3 and name    HA)         (resid      3 and name   HB*)   2.300   0.500   0.500
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     48 and name    HG)   2.900   1.100   1.100
assign   ((resid   32 and name HB*) or (resid   37 and name HB*) or (resid   34 and name HG1*))
   (resid   36 and name HG*)  
   3.400 1.600 1.600 ! incr to 6.0 after round 10. (78 viol avg 0.141)
assign   (resid     29 and name    HA)         (resid     29 and name   HB*)   2.900   1.100   1.100
assign (resid   48 and name HG) (resid   48 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 4. (71 viol avg 0.605)
assign   (resid     31 and name  HG2*)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign   (resid     56 and name   HG*)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     51 and name   HH2)         (resid     51 and name   HZ2)   2.900   1.100   1.100
assign   (resid     24 and name    HA)         (resid     24 and name   HB*)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     41 and name    HG)   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name    HE)   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      3 and name   HB*)   2.300   0.500   0.500
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.900   1.100   1.100
!assign (resid   51 and name HD1) (resid   48 and name HD**)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (25 viol avg 0.389)
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     59 and name   HB*)         (resid     59 and name    HA)   2.300   0.500   0.500
assign   (resid      7 and name   HB*)         (resid      7 and name    HN)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     12 and name    HN)         (resid     12 and name   HA*)   2.900   1.100   1.100
assign   ((resid   38 and name HG**) or (resid   31 and name HG2*))
         (resid   35 and name HB*)  
         3.400 1.600 1.600 ! incr to 6.0 after round 4. (51 viol avg 0.540)
assign   (resid     13 and name   HB*)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name    HA)         (resid     10 and name   HB*)   2.300   0.500   0.500
assign   (resid     32 and name   HD*)         (resid     31 and name  HD1*)   3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name    HA)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HA)   2.300   0.500   0.500
assign   (resid     54 and name   HB*)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     48 and name    HA)         (resid     48 and name  HD**)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name    HA)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     45 and name   HA*)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   ((resid     52 and name    HA)   or   (resid     47 and name   HA*))
         (resid     51 and name   HB*)
   3.400   1.600   1.600
assign   ((resid     50 and name    HN)   or   (resid     56 and name    HN))
         (resid     53 and name    HB)   
        3.900 2.100 2.100 ! incr to 6.0 after round 5. (73 viol avg 0.484)
assign   (resid     43 and name  HG2*)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     54 and name    HN)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     30 and name    HA)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     37 and name  HD**)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     27 and name    HA)         (resid     27 and name   HB*)   2.900   1.100   1.100
assign   (resid     21 and name   HD*)         (resid     21 and name    HA)   3.400   1.600   1.600
assign   (resid     43 and name  HG2*)         (resid     39 and name   HB*)   3.900   2.100   2.100
assign   (resid     54 and name   HB*)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     55 and name   HG*)         (resid     56 and name    HA)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     17 and name   HB*)         (resid     17 and name    HA)   2.300   0.500   0.500
assign   (resid     60 and name   HB*)         (resid     60 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     35 and name   HD*)   3.900   2.100   2.100
assign (resid   11 and name HB*) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (32 viol avg 0.083)
assign   (resid      3 and name   HB*)         (resid      3 and name   HG*)   2.300   0.500   0.500
assign   (resid     54 and name   HB*)         (resid     54 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name  HD1*)   2.900   1.100   1.100
!assign (resid   46 and name HA) (resid   44 and name HG2*)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (26 viol avg 0.116)
assign   (resid     11 and name   HB*)         (resid     11 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name    HN)   2.900   1.100   1.100
assign   (resid      2 and name    HA)         (resid      2 and name   HB*)   2.300   0.500   0.500
assign   (resid     57 and name   HG*)         (resid     57 and name    HA)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name   HB*)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     54 and name    HA)         (resid     57 and name    HN)   3.400   1.600   1.600
!assign (resid   31 and name HG1*) (resid   35 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (27 viol avg 0.069)
assign   (resid     31 and name    HN)         (resid     29 and name   HB*)   3.400   1.600   1.600
!assign (resid   36 and name HG*) (resid   35 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (26 viol avg 0.232)
assign   (resid     16 and name   HG*)         (resid     16 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     55 and name    HA)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     39 and name   HB*)   3.900   2.100   2.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HB)   2.300   0.500   0.500
assign   (resid     46 and name   HB*)         (resid     44 and name  HG2*)   3.400   1.600   1.600
assign   (resid     31 and name    HA)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign (resid   36 and name HB*) (resid   33 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (44 viol avg 0.091)
assign (resid   18 and name HA) (resid   18 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (67 viol avg 0.097)
assign   (resid     32 and name   HG*)         (resid     32 and name    HA)   2.900   1.100   1.100
!assign (resid   44 and name HG2*) (resid   47 and name HA*)  3.900 2.100 2.100 ! incr to 6.0 after round 15. (25 viol avg 0.105)
assign   (resid     50 and name    HN)         (resid     50 and name    HA)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     32 and name    HA)   3.400   1.600   1.600
assign   (resid     11 and name    HA)         (resid     11 and name   HB*)   2.300   0.500   0.500
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     41 and name    HG)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     34 and name  HG1*)   3.400   1.600   1.600
assign   (resid     34 and name    HB)         (resid     34 and name  HG1*)   3.400   1.600   1.600
assign   (resid     41 and name   HB*)         (resid     38 and name    HA)   3.400   1.600   1.600
assign   (resid     55 and name   HG*)         (resid     55 and name    HA)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign (resid   49 and name HA) (resid   48 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (51 viol avg 0.500)
assign   (resid     56 and name    HA)         (resid     56 and name   HG*)   3.400   1.600   1.600
assign   (resid     27 and name    HA)         (resid     30 and name  HD**)   3.400   1.600   1.600
assign   (resid     13 and name   HB*)         (resid     13 and name    HA)   2.900   1.100   1.100
assign (resid   27 and name HB*) (resid   31 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (72 viol avg 0.390)
assign   (resid     56 and name   HG*)         (resid     56 and name   HD*)   2.300   0.500   0.500
assign   (resid     17 and name   HB*)         (resid     17 and name    HA)   2.300   0.500   0.500
assign   (resid     36 and name   HB*)         (resid     37 and name    HA)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     19 and name    HA)         (resid     19 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.300   0.500   0.500
assign   (resid     52 and name    HB)         (resid     52 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      7 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     41 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.300   0.500   0.500
!assign (resid   30 and name HB*) (resid   34 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 11. (77 viol avg 0.134)
assign   (resid     40 and name  HD**)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     51 and name   HZ3)         (resid     51 and name   HH2)   3.400   1.600   1.600
assign   (resid     31 and name  HD1*)         (resid     35 and name   HB*)   3.900   2.100   2.100
assign   (resid     61 and name   HB*)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid      8 and name    HA)         (resid      8 and name    HN)   3.400   1.600   1.600
assign   (resid     30 and name  HD**)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid     10 and name    HA)         (resid     10 and name   HB*)   2.300   0.500   0.500
assign   (resid     55 and name   HD*)         (resid     55 and name    HN)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     21 and name   HD*)   3.900   2.100   2.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HN)   2.300   0.500   0.500
assign   (resid     49 and name  HG**)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     39 and name   HB*)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     38 and name  HG**)   3.900   2.100   2.100
assign   (resid     51 and name   HZ3)         (resid     51 and name   HH2)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign   ((resid   31 and name HN) or (resid   36 and name HN))
         (resid   35 and name HB*)  
         2.900 1.100 1.100 ! incr to 5.0 after round 3. (54 viol avg 0.533)
assign   (resid     39 and name   HB*)         (resid     38 and name  HG**)   3.900   2.100   2.100
assign   (resid     34 and name    HB)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign (resid   32 and name HD*) (resid   32 and name HB*)  2.900 1.100 1.100 ! incr to 5.0 after round 11. (92 viol avg 0.195)
assign   (resid     24 and name    HA)         (resid     24 and name   HD1)   3.400   1.600   1.600
!assign (resid   53 and name HA) (resid   50 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (82 viol avg 0.639)
assign   (resid     64 and name   HB*)         (resid     64 and name   HD2)   3.400   1.600   1.600
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     21 and name    HN)         (resid     21 and name   HB*)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign   (resid     39 and name   HB*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name   HB*)         (resid     24 and name    HN)   2.900   1.100   1.100
assign   (resid     20 and name    HA)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign (resid   50 and name HN) (resid   50 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (25 viol avg 0.103)
assign (resid   31 and name HD1*) (resid   34 and name HG1*)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (92 viol avg 0.128)
assign   ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
         (resid     35 and name   HE*)   
         3.400   1.600   1.600
assign   (resid     13 and name    HA)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   ((resid   46 and name HN) or (resid   42 and name HN))
         ((resid   40 and name HA) or (resid   50 and name HA))
         3.900 2.100 2.100 ! incr to 6.0 after round 1. (93 viol avg 1.670)
assign (resid   43 and name HG2*) (resid   43 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 6. (83 viol avg 0.323)
assign   (resid     45 and name   HA*)         (resid     45 and name    HN)   2.300   0.500   0.500
assign   (resid     30 and name  HD**)         (resid     30 and name   HB*)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     56 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name    HA)         (resid     32 and name    HA)   3.400   1.600   1.600
assign   (resid     38 and name    HN)         (resid     38 and name  HG**)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     21 and name   HD*)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign (resid   10 and name HA) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (26 viol avg 0.070)
assign   (resid     46 and name    HN)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   (resid     10 and name   HE*)         (resid     10 and name   HB*)   3.400   1.600   1.600
assign   (resid     40 and name    HA)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   2.900   1.100   1.100
assign   (resid     34 and name  HG2*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     38 and name  HG**)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     50 and name    HA)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name   HH2)         (resid     24 and name   HZ3)   2.900   1.100   1.100
assign   (resid     43 and name    HB)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     33 and name    HN)   3.900   2.100   2.100
assign   ((resid     30 and name  HD**)   or   (resid     31 and name   HD1*))
         (resid     33 and name   HB*)
   3.400   1.600   1.600
assign   (resid     53 and name    HA)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid     61 and name   HB*)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name   HB*)         (resid     18 and name    HA)   2.300   0.500   0.500
assign   (resid     31 and name    HA)         (resid     31 and name  HD1*)   3.400   1.600   1.600
assign   (resid     25 and name   HG*)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     56 and name    HN)         (resid     56 and name   HG*)   3.400   1.600   1.600
assign   (resid     54 and name    HA)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign   (resid     57 and name   HD*)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid      7 and name   HD*)         (resid      7 and name   HB*)   3.400   1.600   1.600
!assign   ((resid     31 and name    HA)   or   (resid     27 and name   HB*))
!         (resid     29 and name   HB*)   
!        3.900 2.100 2.100 ! incr to 6.0 after round 9. (52 viol avg 0.188)
assign   (resid     55 and name    HA)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     37 and name    HA)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     57 and name   HE*)   2.900   1.100   1.100
assign   (resid     14 and name   HB*)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name   HE1)         (resid     51 and name   HZ2)   2.900   1.100   1.100
assign   ((resid   40 and name HG) or (resid   37 and name HB*) or (resid   32 and name HG*))
         (resid   36 and name HG*)  
        3.900 2.100 2.100 ! incr to 6.0 after round 11. (76 viol avg 0.133)
assign   (resid     24 and name   HH2)         (resid     24 and name   HZ2)   2.300   0.500   0.500
assign   (resid     44 and name  HG2*)         (resid     47 and name   HA*)   3.900   2.100   2.100
assign   (resid     25 and name    HN)         (resid     25 and name    HA)   3.400   1.600   1.600
assign (resid   41 and name HG) (resid   41 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 11. (51 viol avg 0.077)
assign   (resid     35 and name    HA)         (resid     35 and name   HD*)   3.400   1.600   1.600
assign   (resid     11 and name   HB*)         (resid     11 and name   HE*)   3.400   1.600   1.600
assign   (resid     55 and name   HD*)         (resid     51 and name   HZ2)   3.400   1.600   1.600
assign   ((resid     38 and name    HB)   or   (resid     31 and name    HB))
         (resid     35 and name   HB*)   
          3.400   1.600   1.600
assign (resid   48 and name HA) (resid   48 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (69 viol avg 0.117)
assign   (resid     23 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     57 and name   HB*)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign (resid   45 and name HN) (resid   44 and name HB)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (59 viol avg 0.482)
assign   (resid     31 and name    HA)         (resid     31 and name    HN)   2.900   1.100   1.100
assign   (resid     11 and name   HE*)         (resid     10 and name   HB*)   3.400   1.600   1.600
assign   (resid     34 and name    HA)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     51 and name   HZ2)   3.400   1.600   1.600
assign   (resid     49 and name    HN)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     41 and name    HN)   3.400   1.600   1.600
assign   (resid     58 and name   HA*)         (resid     58 and name    HN)   2.300   0.500   0.500
assign   ((resid     19 and name   HB*)   or   (resid     17 and name    HN))
         (resid     19 and name    HN)  
         2.900   1.100   1.100
assign   (resid     38 and name    HB)         (resid     38 and name  HG**)   2.300   0.500   0.500
assign   (resid     48 and name    HG)         (resid     45 and name   HA*)   2.900   1.100   1.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HA)   2.300   0.500   0.500
assign   (resid     54 and name    HA)         (resid     54 and name   HD*)   3.400   1.600   1.600
assign   (resid     40 and name  HD**)         (resid     40 and name    HA)   2.900   1.100   1.100
assign (resid   31 and name HA) (resid   35 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 13
assign   (resid     57 and name    HA)         (resid     57 and name    HN)   2.900   1.100   1.100
assign (resid   25 and name HB*) (resid   22 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (53 viol avg 0.294)
assign   (resid     40 and name  HD**)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     56 and name   HD*)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   ((resid   44 and name HG2*) or (resid   52 and name HG2*))
         ((resid   55 and name HD*) or (resid   46 and name HB*))
        3.900 2.100 2.100 ! incr to 6.0 after round 10. (64 viol avg 0.174)
assign   (resid     53 and name  HG**)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     44 and name  HG2*)   3.400   1.600   1.600
assign   (resid     31 and name  HG2*)         (resid     31 and name    HB)   3.400   1.600   1.600
assign   (resid     18 and name   HB*)         (resid     18 and name    HN)   2.300   0.500   0.500
assign   (resid     36 and name    HN)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     16 and name   HB*)         (resid     13 and name   HB*)   3.900   2.100   2.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name   HB*)         (resid     24 and name    HN)   2.900   1.100   1.100
assign ((resid   37 and name HB*) or (resid   30 and name HB*))
       (resid   33 and name HB*)  
        3.400 1.600 1.600 ! incr to 5.0 after round 11. (57 viol avg 0.106)
assign   (resid      3 and name    HA)         (resid      4 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name    HG)         (resid     48 and name  HD**)   2.300   0.500   0.500
assign   (resid     32 and name   HD*)         (resid     29 and name    HA)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   ((resid     31 and name  HG2*)   or   (resid     38 and name  HG**)   or   (resid     34 and name  HG2*))
         (resid     35 and name   HD*)   
  3.900   2.100   2.100
!assign (resid   30 and name HA) (resid   34 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (61 viol avg 0.132)
assign   (resid     41 and name    HA)         (resid     41 and name    HG)   2.900   1.100   1.100
assign   (resid     22 and name    HB)         (resid     22 and name    HN)   2.900   1.100   1.100
assign   ((resid   31 and name HN) or (resid   36 and name HN))
         (resid   32 and name HB*)  
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (97 viol avg 0.382)
assign   (resid     49 and name  HG**)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HA)   3.400   1.600   1.600
assign   ((resid     18 and name   HB*)   or   (resid     20 and name   HB*))
         (resid     19 and name    HA)   
        3.400 1.600 1.600 ! incr to 5.0 after round 15. (27 viol avg 0.071)
assign   (resid     57 and name   HB*)         (resid     57 and name   HE*)   3.400   1.600   1.600
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.300   0.500   0.500
assign   (resid      7 and name   HB*)         (resid      7 and name    HA)   2.900   1.100   1.100
assign   (resid      1 and name    HA)         (resid      1 and name   HG*)   3.400   1.600   1.600
assign   (resid     34 and name    HB)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     31 and name    HA)         (resid     31 and name  HD1*)   2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     41 and name    HG)   2.300   0.500   0.500
!assign   ((resid     47 and name    HA*)   or   (resid     52 and name    HA))
!         (resid     50 and name    HA)
!        3.900 2.100 2.100 ! incr to 6.0 after round 8. (26 viol avg 0.456)
assign   (resid     34 and name  HD1*)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     21 and name   HD*)         
         ((resid     18 and name    HN)   or   (resid     19 and name    HN))
         3.900   2.100   2.100
assign   (resid     46 and name    HN)         (resid     43 and name    HA)   2.900   1.100   1.100
assign   (resid     43 and name    HB)         (resid     43 and name    HA)   2.300   0.500   0.500
assign   (resid     36 and name   HB*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     51 and name   HH2)         (resid     51 and name   HZ2)   2.300   0.500   0.500
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.300   0.500   0.500
assign   (resid     46 and name   HB*)         (resid     44 and name  HG2*)   3.400   1.600   1.600
assign (resid   49 and name HA) (resid   52 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (57 viol avg 0.188)
assign   (resid     41 and name   HB*)         (resid     41 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name    HG)         (resid     40 and name  HD**)   2.300   0.500   0.500
assign   (resid     64 and name   HB*)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     27 and name   HB*)         (resid     26 and name    HN)   3.400   1.600   1.600
assign   (resid     40 and name    HG)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid     63 and name   HD2)         (resid     63 and name    HA)   3.400   1.600   1.600
assign   (resid     48 and name    HA)         (resid     48 and name   HB*)   2.300   0.500   0.500
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     18 and name    HA)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      3 and name   HG*)   2.900   1.100   1.100
assign   (resid     57 and name   HD*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name  HG2*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     53 and name    HA)         (resid     54 and name    HN)   3.400   1.600   1.600 ! incr to 6.0 after round 9. (62 viol avg 0.196)
assign   (resid     49 and name    HN)         (resid     48 and name  HD**)   3.400   1.600   1.600
assign   (resid      2 and name    HA)         (resid      2 and name   HB*)   2.300   0.500   0.500
assign   (resid     34 and name  HD1*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     36 and name   HG*)   3.400   1.600   1.600
!assign (resid   52 and name HA) (resid   55 and name HE)  3.900 2.100 2.100 ! incr to 6.0 after round 13. (27 viol avg 0.204)
assign   (resid     39 and name   HD*)         (resid     39 and name   HB*)   3.900   2.100   2.100
assign   (resid     64 and name   HB*)         (resid     64 and name    HA)   2.900   1.100   1.100
assign   ((resid     26 and name   HB*)   or   (resid     27 and name   HB*))
         (resid     25 and name   HD*)
   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     19 and name    HA)   3.400   1.600   1.600
!assign (resid   48 and name HD**) (resid   51 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign   (resid     51 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
assign   (resid     48 and name    HA)         (resid     48 and name  HD**)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     12 and name    HN)   2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     11 and name   HB*)   2.300   0.500   0.500
assign   (resid     37 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     40 and name  HD**)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     20 and name    HA)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     35 and name   HD*)   3.900   2.100   2.100
assign   (resid     30 and name   HB*)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid      2 and name    HA)         (resid      2 and name   HB*)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name  HG1*)   3.400   1.600   1.600
assign   (resid     43 and name    HB)         (resid     44 and name  HG2*)   3.400   1.600   1.600
assign   (resid     31 and name    HA)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     26 and name    HA)         (resid     29 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name    HA)   2.300   0.500   0.500
assign   (resid     11 and name   HB*)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      3 and name    HN)   3.400   1.600   1.600
assign   (resid     21 and name   HD*)         (resid     21 and name    HA)   2.900   1.100   1.100
assign   (resid     34 and name  HD1*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     57 and name   HD*)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   (resid     48 and name    HA)         (resid     51 and name   HB*)   3.400   1.600   1.600
!assign   (resid     27 and name   HB*)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     43 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name   HE*)         (resid     35 and name   HD*)   3.900   2.100   2.100
assign   (resid     41 and name  HD**)         (resid     44 and name  HG2*)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign (resid   19 and name HA) (resid   19 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (51 viol avg 0.119)
assign   ((resid     38 and name    HB)   or   (resid     32 and name   HG*))
         (resid     35 and name    HA)   
         3.400   1.600   1.600
assign   (resid      8 and name   HB*)         (resid      8 and name    HA)   2.900   1.100   1.100
!assign (resid   34 and name HD1*) (resid   32 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign   (resid     39 and name   HD*)         (resid     35 and name   HE*)   3.900   2.100   2.100
assign   (resid     36 and name   HG*)         
         ((resid     35 and name   HB*)   or   (resid     39 and name   HB*))
         3.400   1.600   1.600
assign   ((resid     35 and name   HB*)   or   (resid     39 and name   HB*))
         (resid     35 and name   HE*)   
         3.400   1.600   1.600
assign   (resid      7 and name   HD*)         (resid      7 and name   HB*)   3.900   2.100   2.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid     22 and name    HB)         (resid     22 and name  HG2*)   2.300   0.500   0.500
assign   (resid     39 and name    HA)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name   HB*)         (resid     18 and name    HA)   2.300   0.500   0.500
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.300   0.500   0.500
assign   (resid     31 and name    HA)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   3.400   1.600   1.600
assign   (resid     25 and name   HD*)         (resid     25 and name   HE*)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     25 and name   HE*)   3.400   1.600   1.600
assign   (resid      3 and name   HB*)         (resid      3 and name   HG*)   2.300   0.500   0.500
!assign (resid   30 and name HD**) (resid   31 and name HG1*)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (39 viol avg 0.130)
assign   (resid     11 and name   HB*)         (resid     11 and name   HD*)   3.400   1.600   1.600
assign ((resid   57 and name HB*) or (resid   56 and name HB*) or (resid   50 and name HB*))
      (resid   53 and name HG**)  
      2.900 1.100 1.100 ! incr to 5.0 after round 9. (54 viol avg 0.179)
assign   (resid     32 and name   HD*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     56 and name   HE*)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     24 and name   HD1)         (resid     24 and name   HE1)   2.900   1.100   1.100
assign   (resid     34 and name  HG2*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   ((resid   30 and name HB*) or (resid   32 and name HB*))
         (resid   29 and name HA)  
         3.400 1.600 1.600 ! incr to 5.0 after round 3. (50 viol avg 0.881)
assign   (resid     37 and name  HD**)         (resid     36 and name   HB*)   3.400   1.600   1.600
assign   (resid     37 and name   HB*)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     49 and name    HA)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HA)   2.900   1.100   1.100
!assign   (resid     32 and name   HD*)         (resid     31 and name  HG1*)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     50 and name    HN)   2.900   1.100   1.100
assign (resid   27 and name HB*) 
  ((resid   25 and name HD*) or (resid   29 and name HB*))
   3.900 2.100 2.100 ! incr to 6.0 after round 10. (57 viol avg 0.175)
assign   (resid     37 and name   HB*)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign (resid   49 and name HN) (resid   45 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (31 viol avg 0.254)
assign   (resid     47 and name    HN)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   (resid     26 and name   HB*)         (resid     23 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name  HD**)   2.900   1.100   1.100
!assign (resid   49 and name HA) (resid   50 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 2. (83 viol avg 1.138)
assign   (resid     13 and name   HB*)         (resid     13 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name    HB)         (resid     38 and name  HG**)   2.900   1.100   1.100
assign   (resid     14 and name   HB*)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     27 and name   HB*)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name  HH**)   2.900   1.100   1.100
assign   (resid     24 and name   HB*)         (resid     24 and name   HD1)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name    HB)         (resid     38 and name    HA)   2.900   1.100   1.100
!assign (resid   55 and name HG*) (resid   56 and name HE*)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (69 viol avg 0.513)


!!!!!!!!! 15N edited NOEs from AJ55_LPPG_37C

assign (resid   52 and name HN) 
  ((resid   56 and name HG*) or (resid   50 and name HB*))
   3.900 2.100 2.100 ! incr to 6.0 after round 10. (51 viol avg 0.146)
assign   (resid     25 and name    HN)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign (resid   48 and name HN) (resid   45 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 15. (27 viol avg 0.138)
assign (resid   26 and name HB*) (resid   26 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (35 viol avg 0.135)
assign (resid   19 and name HB*) (resid   18 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 16. (25 viol avg 0.099)
assign   (resid     28 and name    HN)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name   HB*)         (resid     58 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     20 and name    HN)         (resid     19 and name    HN)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)         (resid     35 and name    HN)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     19 and name    HA)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     11 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     53 and name    HB)   2.900   1.100   1.100
!assign (resid   18 and name HG*) (resid   17 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (52 viol avg 0.113)
assign   (resid     53 and name    HA)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name   HB*)         (resid     41 and name    HN)   2.900   1.100   1.100
assign (resid   28 and name HN) (resid   26 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (58 viol avg 0.117)
assign   (resid     50 and name    HN)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign (resid   24 and name HA) (resid   24 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (25 viol avg 0.096)
assign   (resid     55 and name   HD*)         (resid     55 and name  HH**)   3.900   2.100   2.100
assign (resid   27 and name HA) (resid   28 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (88 viol avg 1.193)
assign (resid   14 and name HN) (resid   13 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 4. (53 viol avg 0.597)
assign (resid   29 and name HN) 
    ((resid   30 and name HG) or (resid   30 and name HB*))
     3.400 1.600 1.600 ! incr to 5.0 after round 11. (65 viol avg 0.083)
assign   (resid     55 and name   HD*)         (resid     55 and name  HH**)   3.400   1.600   1.600
!assign (resid   27 and name HB*) (resid   24 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (90 viol avg 0.165)
assign   (resid     55 and name   HG*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     57 and name    HN)   2.900   1.100   1.100
!assign   (resid     12 and name    HN)         
!         ((resid     15 and name    HA)   or   (resid     14 and name    HA))
!        3.400 1.600 1.600 ! incr to 5.0 after round 5. (63 viol avg 0.438)
assign   (resid     46 and name    HN)         (resid     44 and name  HG2*)   3.400   1.600   1.600
assign   (resid     48 and name    HG)         (resid     48 and name    HN)   2.300   0.500   0.500
assign   (resid     37 and name    HN)         (resid     37 and name    HG)   2.900   1.100   1.100
assign   (resid     31 and name    HA)         (resid     35 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     51 and name   HD1)         (resid     51 and name   HE1)   2.300   0.500   0.500
assign   (resid     24 and name    HN)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     24 and name   HB*)         (resid     24 and name    HN)   2.900   1.100   1.100
assign   (resid     24 and name   HD1)         (resid     24 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     43 and name    HN)   3.900   2.100   2.100
assign (resid   24 and name HZ2) (resid   24 and name HE1)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (100 viol avg 0.057)
assign   (resid     34 and name    HN)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     62 and name    HN)         (resid     62 and name   HB*)   2.300   0.500   0.500
assign   ((resid 36 and name HN) or (resid 36 and name HN))
  ((resid 37 and name HG) or (resid   48 and name HB*) or (resid 34 and name HG1*) or (resid 32 and name HB*)) 
  2.900 1.100 1.100 ! incr to 5.0 after round 9. (51 viol avg 0.166)
assign   (resid     36 and name   HE*)         (resid     39 and name    HN)   3.900   2.100   2.100
assign   (resid     15 and name   HB*)         (resid     15 and name    HN)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     60 and name    HN)   3.400   1.600   1.600
assign   (resid     63 and name    HN)         (resid     64 and name    HN)   2.900   1.100   1.100
!assign (resid   41 and name HA) (resid   40 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (81 viol avg 0.237)
assign   (resid     11 and name   HB*)         (resid     12 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     37 and name    HN)   2.300   0.500   0.500
assign   (resid     53 and name    HN)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     27 and name    HN)         (resid     23 and name    HA)   2.900   1.100   1.100
assign (resid   57 and name HA) (resid   58 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (93 viol avg 0.151)
assign   (resid     46 and name    HN)         (resid     47 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   3.400   1.600   1.600
assign   (resid      6 and name   HB*)         (resid      6 and name    HN)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     60 and name    HN)   2.300   0.500   0.500
!assign (resid   24 and name HA) (resid   24 and name HE1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign   (resid     55 and name    HE)         (resid     55 and name  HH**)   2.900   1.100   1.100
assign   (resid      8 and name    HA)         (resid      9 and name    HN)   2.300   0.500   0.500
assign   (resid     20 and name    HN)         (resid     21 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name    HB)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name    HN)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name   HE*)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   ((resid     31 and name  HG1*)   or   (resid     30 and name   HB*))
         (resid     33 and name    HN)   
         3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     29 and name    HN)   3.900   2.100   2.100
assign   (resid     51 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
!assign (resid   14 and name HN) (resid   15 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (60 viol avg 0.330)
assign   (resid     15 and name  HD2*)         (resid     15 and name    HA)   3.400   1.600   1.600
assign   (resid     41 and name  HD**)         (resid     41 and name    HN)   3.400   1.600   1.600
assign (resid   11 and name HB*) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (32 viol avg 0.083)
assign   (resid     15 and name    HA)         (resid     16 and name  HE2*)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name    HN)   2.900   1.100   1.100
assign   (resid     59 and name   HB*)         (resid     58 and name    HN)   3.400   1.600   1.600
assign   (resid   46 and name HN) 
         ((resid   44 and name HB) or (resid   44 and name HA) or (resid   48 and name HA))
        3.400 1.600 1.600 ! incr to 5.0 after round 13. (27 viol avg 0.169)
assign   (resid     15 and name    HN)         (resid     14 and name    HN)   2.300   0.500   0.500
assign   (resid     59 and name    HA)         (resid     55 and name  HH**)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     24 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     23 and name    HA)   2.900   1.100   1.100
assign   (resid      6 and name    HN)         (resid      7 and name    HN)   2.300   0.500   0.500
assign   (resid     60 and name    HN)         (resid     58 and name    HN)   3.400   1.600   1.600
assign   (resid     48 and name    HN)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name    HN)   2.900   1.100   1.100
assign   (resid     59 and name    HN)         (resid     60 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name  HG2*)         (resid     31 and name    HN)   2.900   1.100   1.100
!assign   (resid     29 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
!assign (resid   29 and name HB*) (resid   33 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 13
assign   (resid     56 and name    HN)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name    HN)         (resid     56 and name   HG*)   2.300   0.500   0.500
assign (resid   41 and name HG) (resid   41 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 11. (51 viol avg 0.077)
assign   (resid     44 and name  HG2*)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   3.400   1.600   1.600
assign   (resid     54 and name    HA)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     39 and name    HA)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name    HA)         (resid     37 and name    HN)   2.900   1.100   1.100
assign (resid   16 and name HN) (resid   15 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (26 viol avg 0.332)
assign   (resid     46 and name   HB*)         (resid     47 and name    HN)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     44 and name  HG2*)   3.400   1.600   1.600
assign   (resid     25 and name   HD*)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign (resid   25 and name HE*) (resid   26 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (50 viol avg 0.169)
assign   (resid     51 and name   HE1)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   (resid     52 and name  HG2*)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name   HB*)         (resid     18 and name    HN)   2.300   0.500   0.500
assign   (resid      3 and name   HB*)         (resid      3 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     26 and name    HN)   2.900   1.100   1.100
!assign (resid   31 and name HG1*) (resid   35 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 14
!assign (resid   51 and name HE1) (resid   51 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     14 and name    HN)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     38 and name  HG**)   3.400   1.600   1.600
assign (resid   59 and name HB*) (resid   59 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 16. (36 viol avg 0.097)
assign   (resid     42 and name    HN)         (resid     42 and name   HA*)   2.900   1.100   1.100
assign   (resid     24 and name   HB*)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign (resid   27 and name HN) (resid   26 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (32 viol avg 0.121)
assign (resid   26 and name HA) (resid   29 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (42 viol avg 0.067)
assign   (resid     57 and name    HN)         (resid     58 and name    HN)   2.900   1.100   1.100
assign   (resid     54 and name   HD*)         (resid     55 and name    HN)   3.400   1.600   1.600
assign   (resid     57 and name   HD*)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      8 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     62 and name    HN)         (resid     62 and name   HB*)   2.300   0.500   0.500
assign   (resid     20 and name    HN)         (resid     19 and name    HN)   2.300   0.500   0.500
assign   (resid     52 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
assign   (resid     59 and name    HA)         (resid     55 and name  HH**)   2.900   1.100   1.100
!assign (resid   23 and name HN) (resid   21 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (54 viol avg 0.182)
assign   (resid      7 and name   HD*)         (resid      7 and name    HN)   3.900   2.100   2.100
assign   (resid     10 and name    HA)         (resid     13 and name    HN)   3.400   1.600   1.600
assign (resid   49 and name HA) (resid   52 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (57 viol avg 0.188)
assign (resid   53 and name HA*) (resid   57 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (52 viol avg 0.322)
assign   ((resid     48 and name  HD**)   or   (resid     49 and name  HG**))
         (resid     52 and name    HN)   
         3.400   1.600   1.600
assign (resid   18 and name HA) (resid   19 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 4. (63 viol avg 0.549)
assign   (resid     58 and name   HA*)         (resid     59 and name    HN)   2.300   0.500   0.500
assign   (resid     40 and name   HB*)         (resid     40 and name    HN)   2.900   1.100   1.100
!assign (resid   55 and name HG*) (resid   55 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 2. (50 viol avg 0.985)
assign   (resid      3 and name    HN)         (resid      4 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name    HE)   3.900   2.100   2.100
assign   (resid     43 and name  HG2*)         (resid     42 and name    HN)   3.900   2.100   2.100
assign   (resid   33 and name HA) (resid   34 and name HN)  2.900 1.100 1.100 ! incr to 5.0 after round 1. (95 viol avg 1.561)
assign   (resid     30 and name    HN)         (resid     31 and name    HB)   3.400   1.600   1.600
assign (resid   16 and name HA) (resid   16 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (51 viol avg 0.123)
assign (resid   59 and name HB*) (resid   59 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 16. (36 viol avg 0.097)
assign   (resid     36 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     43 and name    HN)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     38 and name    HN)   3.900   2.100   2.100
assign   (resid     54 and name   HD*)         (resid     54 and name    HN)   3.400   1.600   1.600
assign (resid   20 and name HA) (resid   21 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (64 viol avg 0.093)
assign   (resid     52 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name   HG*)         (resid     29 and name    HN)   3.400   1.600   1.600
assign   (resid     22 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid      7 and name    HA)         (resid      8 and name    HN)   2.300   0.500   0.500
assign   (resid     58 and name   HA*)         (resid     59 and name    HN)   2.300   0.500   0.500
!assign (resid   36 and name HB*) (resid   38 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 12. (28 viol avg 0.120)
assign   (resid     20 and name   HG*)         (resid     20 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     49 and name    HB)   2.900   1.100   1.100
!assign   ((resid     55 and name   HG*)   or   (resid     52 and name  HG2*))
!         (resid     51 and name   HE1)   
!        3.400 1.600 1.600 ! incr to 5.0 after round 3. (52 viol avg 0.866)
assign   (resid     38 and name    HN)         (resid     39 and name   HB*)   3.400   1.600   1.600
assign (resid   51 and name HN) (resid   51 and name HE3)  3.900 2.100 2.100 ! incr to 6.0 after round 16. (28 viol avg 0.124)
assign   (resid     58 and name   HA*)         (resid     58 and name    HN)   2.300   0.500   0.500
assign (resid   38 and name HN) (resid   34 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (67 viol avg 0.103)
assign   (resid     23 and name   HB*)         (resid     23 and name    HN)   2.900   1.100   1.100
!assign (resid   31 and name HG1*) (resid   33 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (98 viol avg 0.622)
assign   (resid     42 and name   HA*)         (resid     41 and name    HN)   3.400   1.600   1.600
assign   (resid     55 and name   HD*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     63 and name   HB*)         (resid     63 and name    HN)   2.300   0.500   0.500
assign (resid   46 and name HN) (resid   46 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (69 viol avg 0.105)
assign   (resid     34 and name    HA)         (resid     37 and name    HN)   3.400   1.600   1.600
assign   (resid     15 and name    HN)         (resid     14 and name    HN)   2.300   0.500   0.500
assign   (resid     64 and name    HA)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name   HD*)         (resid     10 and name    HN)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     12 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     25 and name   HE*)   3.400   1.600   1.600
assign   (resid     30 and name    HN)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid     59 and name    HA)         (resid     59 and name    HN)   2.300   0.500   0.500
assign   (resid     16 and name   HB*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     27 and name    HN)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     37 and name    HN)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign (resid   45 and name HN) (resid   44 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (52 viol avg 0.576)
assign   (resid     55 and name    HE)         (resid     55 and name  HH**)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)         (resid     37 and name    HN)   3.900   2.100   2.100
assign   (resid     21 and name    HN)         
         ((resid     18 and name   HB*)   or   (resid     20 and name   HB*))
         2.900   1.100   1.100
assign   (resid     63 and name    HN)         (resid     62 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     42 and name   HA*)         (resid     43 and name    HN)   2.900   1.100   1.100
assign (resid   24 and name HN) (resid   23 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (96 viol avg 0.616)
assign   (resid     49 and name    HN)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     43 and name    HB)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     63 and name   HD2)         (resid     63 and name    HN)   3.400   1.600   1.600
assign (resid   20 and name HN) (resid   19 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (67 viol avg 0.096)
assign   (resid     50 and name    HN)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     15 and name    HA)         (resid     16 and name  HE2*)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     53 and name    HB)   2.900   1.100   1.100
assign (resid   17 and name HB*) (resid   17 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (68 viol avg 0.109)
assign (resid   52 and name HB) (resid   53 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (36 viol avg 0.301)
!assign (resid   22 and name HN) (resid   18 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (54 viol avg 0.191)
assign   (resid     45 and name    HN)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     26 and name    HA)         (resid     28 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name   HB*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     60 and name    HN)   2.300   0.500   0.500
assign   (resid     48 and name    HA)         (resid     47 and name    HN)   3.400   1.600   1.600
assign   (resid     11 and name   HD*)         (resid     11 and name    HN)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   3.400   1.600   1.600
assign   ((resid   51 and name HN) or (resid   9 and name HN))
         ((resid   51 and name HH2) or (resid   11 and name HD*))
         3.400 1.600 1.600 ! incr to 5.0 after round 1. (63 viol avg 1.428)
assign   (resid     40 and name    HA)         (resid     40 and name    HN)   2.900   1.100   1.100
assign (resid   8 and name HA) (resid   8 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (84 viol avg 0.086)
assign   (resid     34 and name    HN)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid      5 and name    HN)         (resid      4 and name    HN)   3.400   1.600   1.600
assign   (resid     19 and name    HA)         (resid     23 and name    HN)   3.400   1.600   1.600
assign   (resid     63 and name    HN)         (resid     62 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     24 and name   HE1)         (resid     25 and name   HB*)   3.400   1.600   1.600
assign   (resid     61 and name   HD2)         (resid     61 and name    HN)   3.400   1.600   1.600
assign   (resid     20 and name    HN)         (resid     21 and name    HA)   3.900   2.100   2.100
assign (resid   51 and name HE1) (resid   51 and name HZ2)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (91 viol avg 0.055)
assign (resid   46 and name HN) (resid   48 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (29 viol avg 0.089)
assign   (resid     35 and name    HA)         (resid     35 and name    HN)   2.900   1.100   1.100
assign (resid   9 and name HN) (resid   9 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (86 viol avg 0.083)
assign   (resid     37 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign (resid   11 and name HA) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 11. (53 viol avg 0.107)
assign (resid   48 and name HN) (resid   49 and name HB)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (64 viol avg 0.337)
assign ((resid   26 and name HN) or (resid   22 and name HN))
    (resid   23 and name HN) 
     2.900 1.100 1.100 ! incr to 5.0 after round 12. (25 viol avg 0.189)
assign (resid   10 and name HA) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (26 viol avg 0.070)
assign   (resid     30 and name    HN)         (resid     29 and name   HB*)   3.400   1.600   1.600
assign (resid   24 and name HH2) (resid   24 and name HE1)  3.400 1.600 1.600 ! incr to 5.0 after round 2. (100 viol avg 0.986)
assign   (resid     34 and name    HN)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign (resid   17 and name HN) (resid   16 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (100 viol avg 0.841)
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     14 and name    HA)         (resid     14 and name    HN)   2.900   1.100   1.100
assign   (resid     24 and name   HD1)         (resid     24 and name   HE1)   2.300   0.500   0.500
assign   (resid     50 and name    HN)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign (resid   9 and name HA) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (27 viol avg 0.301)
assign   (resid     64 and name   HD2)         (resid     64 and name    HN)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     35 and name    HN)   2.300   0.500   0.500
!assign (resid   15 and name HN) (resid   19 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (73 viol avg 0.176)
assign   (resid     33 and name   HB*)         (resid     33 and name    HN)   2.900   1.100   1.100
!assign (resid   51 and name HE1) (resid   51 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign   ((resid   38 and name HN) or (resid   14 and name HN))
         ((resid   42 and name HA*) or (resid   12 and name HA*) or (resid   17 and name HB*))
         3.400 1.600 1.600 ! incr to 5.0 after round 5. (87 viol avg 0.484)
assign   (resid     24 and name    HN)         (resid     23 and name    HN)   2.300   0.500   0.500
assign (resid   22 and name HN) (resid   21 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (26 viol avg 0.401)
assign   (resid     50 and name    HN)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     47 and name    HN)   3.400   1.600   1.600
assign   (resid     14 and name   HB*)         (resid     14 and name    HN)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name    HN)   2.300   0.500   0.500
!assign (resid   47 and name HN) (resid   51 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (59 viol avg 0.223)
assign   (resid     30 and name    HN)         
         ((resid     31 and name  HG1*)   or   (resid     30 and name   HB*))
         2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     24 and name   HE1)   3.900   2.100   2.100
assign   ((resid     49 and name  HG**)   or   (resid     43 and name  HG2*))
         (resid     45 and name    HN)   
         3.900   2.100   2.100
assign   (resid     46 and name    HN)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     58 and name    HN)   2.900   1.100   1.100
assign   ((resid   30 and name HD**) or (resid   38 and name HG**))
         (resid   34 and name HN)  
  3.900 2.100 2.100 ! incr to 6.0 after round 6. (64 viol avg 0.284)
assign   (resid     38 and name    HN)         (resid     38 and name  HG**)   2.900   1.100   1.100
assign (resid   51 and name HD1) (resid   52 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (46 viol avg 0.317)
assign   (resid     56 and name    HN)         (resid     56 and name   HE*)   3.400   1.600   1.600
assign   (resid     52 and name    HN)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     58 and name    HN)   2.900   1.100   1.100
assign   (resid     12 and name    HN)         (resid     13 and name   HB*)   3.900   2.100   2.100
assign   (resid     46 and name    HN)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid   38 and name HN) 
         ((resid   34 and name HG1*) or (resid   37 and name HG) or (resid   37 and name HB*))
         3.400 1.600 1.600 ! incr to 5.0 after round 2. (55 viol avg 1.028)
assign   (resid     34 and name    HN)
         ((resid     36 and name    HB*)   or   (resid     32 and name   HB*))
   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     54 and name    HN)   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     24 and name   HD1)   3.400   1.600   1.600
assign   (resid     31 and name  HG2*)         (resid     33 and name    HN)   3.400   1.600   1.600
assign   (resid     56 and name    HN)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     33 and name    HN)   3.400   1.600   1.600
assign   (resid     53 and name    HN)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     12 and name    HN)         (resid     12 and name   HA*)   2.300   0.500   0.500
assign   ((resid   30 and name HA) or (resid   30 and name HA))
         (resid   29 and name HN)  
         3.400 1.600 1.600 ! incr to 5.0 after round 3. (52 viol avg 0.823)
!assign (resid   55 and name HA) (resid   51 and name HE1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign (resid   27 and name HA) (resid   27 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (52 viol avg 0.117)
!assign   ((resid     58 and name   HA*)   or   (resid     53 and name    HA))
!         (resid     56 and name    HN)
!        3.400 1.600 1.600 ! incr to 5.0 after round 7. (30 viol avg 0.463)
assign   (resid     35 and name   HB*)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     62 and name    HN)         (resid     62 and name   HD2)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     28 and name    HN)         (resid     31 and name  HD1*)   3.900   2.100   2.100
assign   (resid     24 and name   HB*)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign   (resid     24 and name    HN)         (resid     23 and name   HB*)   2.900   1.100   1.100
assign   (resid      6 and name    HA)         (resid      6 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign (resid   36 and name HN) (resid   36 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (99 viol avg 0.133)
assign   (resid     10 and name   HB*)         (resid     10 and name    HN)   2.300   0.500   0.500
assign (resid   15 and name HN) (resid   15 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 15. (28 viol avg 0.066)
assign   (resid     34 and name    HN)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     40 and name    HN)   3.400   1.600   1.600
assign (resid   21 and name HN) (resid   21 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (26 viol avg 0.114)
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   3.400   1.600   1.600
assign   (resid     31 and name    HA)         (resid     33 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     31 and name  HD1*)   2.900   1.100   1.100
assign   (resid     61 and name    HA)         (resid     62 and name    HN)   2.300   0.500   0.500
assign   (resid     60 and name    HN)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     43 and name    HN)   3.400   1.600   1.600
assign   (resid     56 and name    HN)         (resid     58 and name    HN)   3.400   1.600   1.600
assign (resid   61 and name HA) (resid   61 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (32 viol avg 0.100)
assign   (resid     11 and name    HA)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   (resid     17 and name    HN)         (resid     18 and name    HN)   2.900   1.100   1.100
!assign (resid   26 and name HB*) (resid   24 and name HE1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 12
assign   (resid     40 and name    HN)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid      6 and name    HN)         (resid      5 and name   HA*)   2.900   1.100   1.100
assign   (resid      5 and name    HN)         (resid      4 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     60 and name    HN)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name    HA)         (resid     47 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     58 and name   HA*)         (resid     61 and name    HN)   3.400   1.600   1.600
assign   (resid      9 and name    HN)         
         ((resid     13 and name    HN)   or   (resid     11 and name    HN))
         2.300   0.500   0.500
!assign (resid   24 and name HE1) (resid   23 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (77 viol avg 0.574)
assign   (resid     33 and name    HN)         (resid     34 and name  HG1*)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     40 and name    HN)   2.900   1.100   1.100
assign (resid   51 and name HE1) (resid   55 and name HE)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (28 viol avg 0.337)
assign   (resid     38 and name    HN)         (resid     38 and name  HG**)   2.900   1.100   1.100
assign   (resid     29 and name    HN)         (resid     29 and name   HB*)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     58 and name    HN)   2.300   0.500   0.500
assign   (resid     39 and name   HD*)         (resid     40 and name    HN)   3.400   1.600   1.600
!assign (resid   46 and name HA) (resid   45 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (57 viol avg 0.139)
assign   (resid     18 and name   HG*)         (resid     18 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name  HH**)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign (resid   42 and name HN) 
  ((resid   40 and name HG) or (resid   41 and name HB*))
   3.400 1.600 1.600 ! incr to 6.0 after round 12. (26 viol avg 0.189)
assign   (resid     24 and name   HB*)         (resid     25 and name    HN)   3.400   1.600   1.600
assign (resid   20 and name HN) (resid   20 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (60 viol avg 0.076)
assign   (resid     48 and name  HD**)         (resid     51 and name   HE1)   3.900   2.100   2.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      4 and name    HN)   2.900   1.100   1.100
!assign   (resid     29 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
!assign   (resid     28 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     41 and name    HN)   3.400   1.600   1.600
assign   (resid     40 and name    HN)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     27 and name    HN)         (resid     25 and name    HN)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     49 and name    HN)   2.900   1.100   1.100
!assign (resid   55 and name HG*) (resid   57 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (58 viol avg 0.330)
assign   (resid     56 and name    HN)         (resid     56 and name   HB*)   2.300   0.500   0.500
assign   (resid     29 and name    HN)         (resid     28 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name    HE)   3.900   2.100   2.100
assign   (resid     50 and name    HN)         (resid     48 and name    HA)   3.400   1.600   1.600
assign   (resid     46 and name    HN)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid     45 and name    HN)         (resid     47 and name   HA*)   3.400   1.600   1.600
assign   (resid     64 and name   HB*)         (resid     64 and name    HN)   2.300   0.500   0.500
!assign (resid   27 and name HA) (resid   26 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (87 viol avg 0.604)
assign   (resid     59 and name    HN)         (resid     60 and name    HN)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)         (resid     34 and name    HN)   3.400   1.600   1.600
assign   (resid     12 and name    HN)         (resid     11 and name    HN)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     20 and name    HN)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name    HE)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     29 and name    HA)   2.900   1.100   1.100
assign   (resid      3 and name    HN)         (resid      4 and name    HN)   2.900   1.100   1.100
assign (resid   26 and name HA) (resid   26 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (87 viol avg 0.122)
assign   (resid     12 and name   HA*)         (resid     13 and name    HN)   2.300   0.500   0.500
assign   (resid     61 and name   HB*)         (resid     61 and name    HN)   2.900   1.100   1.100
assign (resid   51 and name HD1) (resid   51 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (58 viol avg 0.145)
assign   (resid      6 and name    HN)         (resid      7 and name    HN)   2.300   0.500   0.500
assign   (resid     55 and name   HD*)         (resid     55 and name    HE)   3.900   2.100   2.100
assign (resid   31 and name HN) (resid   28 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (63 viol avg 0.206)
assign   (resid     40 and name    HG)         (resid     40 and name    HN)   2.900   1.100   1.100
assign (resid   53 and name HN) (resid   56 and name HE*)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (61 viol avg 0.311)
assign   (resid     18 and name    HN)         (resid     15 and name    HA)   2.900   1.100   1.100
!assign (resid   42 and name HA*) (resid   39 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (57 viol avg 0.461)
assign   (resid      9 and name    HN)         (resid      8 and name    HN)   2.300   0.500   0.500
assign (resid   22 and name HB) (resid   23 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (71 viol avg 0.080)
assign   (resid      8 and name   HB*)         (resid      8 and name    HN)   2.300   0.500   0.500
assign   (resid     64 and name    HN)         (resid     63 and name    HA)   2.300   0.500   0.500
!assign (resid   27 and name HN) (resid   28 and name HA*)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (100 viol avg 0.668)
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign   (resid     13 and name   HB*)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name    HA)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      8 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name    HN)         (resid     58 and name    HN)   2.300   0.500   0.500
assign   ((resid     55 and name   HG*)   or   (resid     52 and name  HG2*))
         (resid     56 and name    HN)   
         2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     42 and name   HA*)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   ((resid     24 and name    HA)   or   (resid     26 and name    HA))
         (resid     25 and name    HN)   
         2.900   1.100   1.100
!assign (resid   51 and name HN) (resid   51 and name HZ3)  3.900 2.100 2.100 ! could be commented out due to major violation after round 15
assign   (resid     13 and name    HA)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     50 and name    HN)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HE*)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign   (resid     46 and name    HA)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     22 and name    HN)   2.900   1.100   1.100
assign (resid   26 and name HN) (resid   25 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 4. (83 viol avg 0.512)
assign   (resid     26 and name    HN)         (resid     23 and name    HA)   2.900   1.100   1.100
assign   (resid     20 and name    HN)         (resid     19 and name   HB*)   2.900   1.100   1.100
assign   ((resid     36 and name   HB*)   or   (resid     32 and name    HB*))
         (resid     33 and name    HN)
   2.900   1.100   1.100
assign   (resid      9 and name    HN)         (resid     10 and name   HB*)   3.400   1.600   1.600
assign   (resid     57 and name   HB*)         (resid     57 and name    HN)   2.300   0.500   0.500
assign   (resid     12 and name    HN)         
         ((resid     13 and name    HN)   or   (resid     11 and name    HN))
         2.900   1.100   1.100
assign   (resid     44 and name    HN)         (resid     44 and name    HA)   2.300   0.500   0.500
assign   (resid     30 and name  HD**)         (resid     29 and name    HN)   3.400   1.600   1.600
assign   (resid     42 and name    HN)         (resid     38 and name    HA)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     43 and name    HN)         (resid     43 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name    HB)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name   HE1)         (resid     55 and name  HH**)   3.400   1.600   1.600
assign (resid   51 and name HE1) (resid   51 and name HH2)  3.400 1.600 1.600 ! incr to 5.0 after round 2. (100 viol avg 0.972)
assign   (resid     50 and name    HA)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     61 and name   HB*)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HE)         (resid     55 and name  HH**)   2.900   1.100   1.100
assign (resid   26 and name HA) (resid   27 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (80 viol avg 0.144)
assign   (resid      6 and name   HB*)         (resid      7 and name    HN)   3.400   1.600   1.600
assign   (resid     59 and name    HA)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     14 and name    HN)   3.400   1.600   1.600
!assign (resid   46 and name HN) (resid   47 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (29 viol avg 0.354)
assign   (resid     48 and name    HN)         (resid     47 and name    HN)   2.900   1.100   1.100
assign   ((resid     31 and name    HB)   or   (resid     32 and name   HG*))
         (resid     33 and name    HN)
   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   ((resid   41 and name HN) or (resid   47 and name HN))
         (resid   45 and name HN)  
         2.900 1.100 1.100 ! incr to 4.0 after round 1. (50 viol avg 1.249)
assign (resid   60 and name HA) (resid   60 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (65 viol avg 0.094)
!assign (resid   47 and name HN) (resid   50 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 1. (83 viol avg 1.635)
assign   (resid     21 and name    HN)         (resid     21 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     44 and name    HN)   3.900   2.100   2.100
assign   (resid     17 and name    HN)         (resid     17 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HN)   3.400   1.600   1.600
assign   ((resid     10 and name   HB*)   or   (resid     11 and name   HB*))
         (resid     13 and name    HN)   
         3.400   1.600   1.600
assign   (resid     24 and name   HB*)         (resid     25 and name    HN)   3.400   1.600   1.600
assign (resid   52 and name HB) (resid   56 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (54 viol avg 1.033)
assign   (resid     63 and name    HN)         (resid     62 and name   HB*)   2.900   1.100   1.100
assign   (resid     29 and name    HN)         (resid     28 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name    HB)         (resid     22 and name    HN)   2.900   1.100   1.100
assign   (resid     20 and name    HA)         (resid     23 and name    HN)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         (resid     43 and name    HN)   3.400   1.600   1.600
assign   (resid     39 and name    HA)         (resid     40 and name    HN)   2.900   1.100   1.100
assign (resid   48 and name HN) (resid   48 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (71 viol avg 0.268)
!assign (resid   55 and name HG*) (resid   58 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (55 viol avg 0.620)
assign   (resid     51 and name   HE1)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   (resid     28 and name    HN)         (resid     28 and name   HA*)   2.300   0.500   0.500
assign   (resid     30 and name    HN)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     42 and name    HN)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      7 and name    HN)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     41 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     48 and name   HB*)   3.400   1.600   1.600
assign   (resid     25 and name    HN)         (resid     23 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     20 and name    HN)         (resid     20 and name   HB*)   2.300   0.500   0.500
!assign   ((resid     31 and name    HA)   or   (resid     27 and name   HB*))
!         (resid     30 and name    HN)
!        3.400 1.600 1.600 ! incr to 5.0 after round 6. (92 viol avg 0.283)
!assign (resid   38 and name HN) (resid   34 and name HG1*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign   (resid     53 and name    HN)         (resid     54 and name   HB*)   3.400   1.600   1.600
assign   (resid     49 and name    HN)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     25 and name   HD*)         (resid     25 and name    HN)   2.300   0.500   0.500
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   3.400   1.600   1.600
!assign (resid   51 and name HE1) (resid   50 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 2. (69 viol avg 1.504)
assign   (resid     49 and name    HN)         (resid     49 and name    HB)   2.900   1.100   1.100
assign   (resid     24 and name   HD1)         (resid     23 and name    HN)   3.400   1.600   1.600
assign   (resid     28 and name    HN)         (resid     26 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name    HN)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   (resid     18 and name   HB*)         (resid     18 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      3 and name    HN)   3.400   1.600   1.600
assign   (resid     24 and name    HN)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     23 and name    HN)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     29 and name    HN)   3.400   1.600   1.600
assign   (resid     25 and name   HG*)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign   (resid     42 and name    HN)         
         ((resid     39 and name    HA)   or   (resid     43 and name    HB))
         3.400   1.600   1.600
assign   (resid     37 and name   HB*)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name    HN)         (resid     21 and name   HD*)   3.400   1.600   1.600
assign   (resid     63 and name    HN)         (resid     64 and name    HN)   2.900   1.100   1.100
!assign (resid   26 and name HB*) (resid   23 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (72 viol avg 0.225)
assign   (resid     54 and name   HB*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     20 and name    HN)         (resid     21 and name    HN)   2.900   1.100   1.100
assign   (resid     59 and name    HN)         (resid     59 and name   HD2)   2.900   1.100   1.100
assign   (resid     32 and name   HG*)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     24 and name    HN)         (resid     22 and name    HN)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     22 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid      9 and name    HN)         (resid      8 and name    HN)   2.300   0.500   0.500
assign   (resid     33 and name    HN)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     24 and name   HE1)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     18 and name    HA)         (resid     18 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     41 and name    HN)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name    HA)         (resid     37 and name    HN)   2.900   1.100   1.100
assign (resid   63 and name HN) (resid   63 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (50 viol avg 0.089)
assign   ((resid   56 and name HN) or (resid   50 and name HN))
         (resid   52 and name HN)  
         3.900 2.100 2.100 ! incr to 6.0 after round 5. (64 viol avg 0.482)
assign   (resid     41 and name    HA)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     62 and name    HN)   3.400   1.600   1.600
assign (resid   19 and name HA) (resid   19 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (51 viol avg 0.119)
!assign (resid   56 and name HN) (resid   57 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (68 viol avg 0.134)
assign   (resid     55 and name    HE)         (resid     51 and name   HZ2)   3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.900   1.100   1.100
assign ((resid   56 and name HD*) or (resid   57 and name HD*))
     (resid   58 and name HN)  
      3.400 1.600 1.600 ! incr to 5.0 after round 9. (76 viol avg 0.204)
assign   (resid     14 and name    HN)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     51 and name   HE1)   3.900   2.100   2.100
!assign (resid   48 and name HN) (resid   51 and name HE1)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign   (resid     46 and name    HN)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign (resid   29 and name HN) (resid   28 and name HA*)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (43 viol avg 0.084)
assign   (resid     59 and name    HA)         (resid     55 and name    HE)   2.900   1.100   1.100
assign (resid   31 and name HA) (resid   31 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (100 viol avg 0.140)
assign   (resid     64 and name   HB*)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     41 and name    HN)   3.400   1.600   1.600
assign   (resid     25 and name    HN)         (resid     24 and name    HN)   2.900   1.100   1.100
assign   (resid     17 and name   HB*)         (resid     18 and name    HN)   2.900   1.100   1.100
assign   (resid     23 and name    HN)         (resid     22 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name  HH**)   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     41 and name    HN)   2.900   1.100   1.100
!assign (resid   55 and name HG*) (resid   51 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 1. (64 viol avg 1.750)
assign   (resid     41 and name    HA)         (resid     41 and name    HN)   2.900   1.100   1.100
!assign (resid   17 and name HB*) (resid   16 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (58 viol avg 0.156)
assign   (resid     46 and name    HN)         
         ((resid     43 and name    HN)   or   (resid     44 and name    HN))
        3.400 1.600 1.600 ! incr to 5.0 after round 14. (30 viol avg 0.081)
assign   (resid     57 and name   HG*)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HB)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     52 and name    HA)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     60 and name    HN)   3.400   1.600   1.600
assign   (resid      6 and name   HB*)         (resid      7 and name    HN)   2.900   1.100   1.100
assign   (resid      7 and name    HN)         (resid      8 and name    HN)   2.300   0.500   0.500
assign   (resid     41 and name   HB*)         (resid     41 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     22 and name    HN)   3.400   1.600   1.600
assign   (resid     23 and name    HN)         (resid     23 and name    HA)   2.900   1.100   1.100
assign (resid   28 and name HN) (resid   30 and name HG)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (88 viol avg 0.118)
assign   (resid     28 and name    HN)         (resid     27 and name    HN)   2.900   1.100   1.100
assign (resid   23 and name HN) (resid   22 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (81 viol avg 0.143)
assign   (resid     48 and name    HN)         (resid     47 and name    HN)   2.900   1.100   1.100
assign   (resid     14 and name   HB*)         (resid     14 and name    HN)   2.900   1.100   1.100
assign   (resid      5 and name    HN)         (resid      5 and name   HA*)   2.900   1.100   1.100
assign   (resid     55 and name    HE)         (resid     55 and name  HH**)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     28 and name    HN)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     54 and name    HN)   3.400   1.600   1.600
assign   (resid     17 and name    HN)         (resid     18 and name    HN)   2.300   0.500   0.500
assign   (resid     42 and name    HN)         (resid     41 and name    HN)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.300   0.500   0.500
assign (resid   55 and name HB*) (resid   51 and name HE1)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (25 viol avg 0.391)
assign (resid   7 and name HA) (resid   7 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (33 viol avg 0.098)
!assign (resid   20 and name HN) (resid   23 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (50 viol avg 0.528)
assign   (resid     25 and name    HN)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     54 and name    HA)         (resid     55 and name    HN)   2.900   1.100   1.100
assign (resid   29 and name HA) (resid   29 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (94 viol avg 0.142)
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid      6 and name   HB*)         (resid      6 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HN)   2.300   0.500   0.500
assign   (resid     61 and name    HN)         (resid     62 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name    HN)   2.900   1.100   1.100
!assign (resid   34 and name HN) (resid   31 and name HG1*)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (99 viol avg 0.697)
assign (resid   50 and name HN) (resid   50 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 17. (25 viol avg 0.103)
assign   (resid     59 and name    HA)         (resid     58 and name    HN)   3.400   1.600   1.600
assign   (resid     36 and name    HN)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     42 and name   HA*)   2.900   1.100   1.100
assign (resid   57 and name HA) (resid   57 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 16. (25 viol avg 0.059)
assign   (resid     37 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign (resid   10 and name HA) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (27 viol avg 0.188)
assign   (resid     21 and name    HN)         (resid     21 and name   HD*)   3.400   1.600   1.600
assign   (resid      2 and name    HA)         (resid      3 and name    HN)   2.900   1.100   1.100
assign   (resid     24 and name   HB*)         (resid     24 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     45 and name    HN)   3.400   1.600   1.600
assign   (resid     48 and name    HN)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     45 and name    HN)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     35 and name   HD*)   3.400   1.600   1.600
assign   (resid      4 and name   HA*)         (resid      4 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         
         ((resid     54 and name   HD*)   or   (resid     51 and name   HH2))
         3.400   1.600   1.600
assign   (resid     46 and name    HN)         (resid     47 and name    HN)   2.900   1.100   1.100
assign (resid   19 and name HB*) (resid   19 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 15. (28 viol avg 0.071)
assign (resid   52 and name HN) (resid   51 and name HE3)  3.900 2.100 2.100 ! incr to 6.0 after round 17. (27 viol avg 0.119)
assign (resid   26 and name HB*) (resid   27 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 2. (56 viol avg 0.881)
assign (resid   30 and name HN) (resid   34 and name HD1*)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (33 viol avg 0.143)
assign   (resid     47 and name    HN)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   (resid     56 and name    HN)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      7 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   3.400   1.600   1.600
assign   (resid     36 and name    HN)         (resid     35 and name    HA)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      4 and name    HN)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         
         ((resid     51 and name    HA)   or   (resid     46 and name    HA))
         3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     17 and name    HN)         (resid     15 and name    HA)   2.900   1.100   1.100
assign   ((resid   49 and name HN) or (resid   53 and name HN))
         (resid   50 and name HA)  
          2.900 1.100 1.100 ! incr to 5.0 after round 3. (68 viol avg 0.639)
assign   (resid     37 and name  HD**)         (resid     37 and name    HN)   2.900   1.100   1.100
assign (resid   14 and name HA) (resid   13 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (52 viol avg 0.186)
assign   (resid     48 and name    HN)         (resid     45 and name    HN)   3.400   1.600   1.600
assign (resid   49 and name HN) (resid   51 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (29 viol avg 0.265)
assign   (resid     60 and name   HD2)         (resid     60 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     23 and name   HB*)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     12 and name    HN)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     45 and name   HA*)         (resid     45 and name    HN)   2.300   0.500   0.500
assign   (resid     56 and name    HN)         (resid     56 and name   HD*)   2.900   1.100   1.100
assign (resid   18 and name HN) (resid   17 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (54 viol avg 0.611)
assign   (resid     40 and name  HD**)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     51 and name    HN)   2.900   1.100   1.100
assign (resid   48 and name HA) (resid   48 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (69 viol avg 0.117)
assign   (resid     42 and name   HA*)         (resid     41 and name    HN)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     14 and name   HB*)         (resid     10 and name    HN)   3.400   1.600   1.600
assign   ((resid     41 and name  HD**)   or   (resid     48 and name  HD**))
         (resid     45 and name    HN)   
         3.900   2.100   2.100
assign (resid   21 and name HN) (resid   21 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (88 viol avg 0.146)
assign (resid   51 and name HE1) (resid   47 and name HA*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 16
assign   (resid     33 and name    HN)         (resid     32 and name    HA)   2.900   1.100   1.100

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  45.965  12.479 -16.468
    2    H2   MET   1           HT2      MET   1  45.065  12.939 -17.833
    3    H3   MET   1           HT3      MET   1  46.648  13.518 -17.621
    4    HA   MET   1           HA       MET   1  46.155  10.622 -17.790
    5    HB2  MET   1           HB2      MET   1  46.658  10.896 -20.276
    6    HB3  MET   1           HB1      MET   1  45.049  11.407 -19.763
    7    HG2  MET   1           HG2      MET   1  47.133  13.500 -19.611
    8    HG3  MET   1           HG1      MET   1  46.729  12.963 -21.242
    9    HE1  MET   1           HE1      MET   1  44.560  14.202 -22.535
   10    HE2  MET   1           HE2      MET   1  43.133  13.516 -21.762
   11    HE3  MET   1           HE3      MET   1  44.556  12.510 -22.019
   12    H    GLU   2           HN       GLU   2  48.093  13.479 -17.740
   13    HA   GLU   2           HA       GLU   2  50.366  13.839 -17.707
   14    HB2  GLU   2           HB2      GLU   2  50.535  11.021 -16.634
   15    HB3  GLU   2           HB1      GLU   2  51.604  12.382 -16.289
   16    HG2  GLU   2           HG2      GLU   2  49.724  13.567 -15.196
   17    HG3  GLU   2           HG1      GLU   2  48.681  12.181 -15.508
   18    H    GLU   3           HN       GLU   3  50.107  13.656 -20.149
   19    HA   GLU   3           HA       GLU   3  50.786  11.378 -21.609
   20    HB2  GLU   3           HB2      GLU   3  50.365  14.133 -22.142
   21    HB3  GLU   3           HB1      GLU   3  51.905  13.689 -22.880
   22    HG2  GLU   3           HG2      GLU   3  50.799  11.740 -23.956
   23    HG3  GLU   3           HG1      GLU   3  49.260  12.258 -23.271
   24    H    GLY   4           HN       GLY   4  52.997  14.124 -21.052
   25    HA2  GLY   4           HA2      GLY   4  55.308  14.190 -21.017
   26    HA3  GLY   4           HA1      GLY   4  55.121  12.873 -19.862
   27    H    GLY   5           HN       GLY   5  54.781  13.273 -23.399
   28    HA2  GLY   5           HA2      GLY   5  55.846  10.611 -23.857
   29    HA3  GLY   5           HA1      GLY   5  55.285  11.742 -25.085
   30    H    ASP   6           HN       ASP   6  57.987  10.341 -23.648
   31    HA   ASP   6           HA       ASP   6  59.771  11.961 -25.279
   32    HB2  ASP   6           HB2      ASP   6  59.553  12.285 -22.383
   33    HB3  ASP   6           HB1      ASP   6  61.189  11.883 -22.904
   34    H    PHE   7           HN       PHE   7  60.443   9.943 -22.441
   35    HA   PHE   7           HA       PHE   7  61.414   7.798 -24.206
   36    HB2  PHE   7           HB2      PHE   7  63.035   8.863 -21.886
   37    HB3  PHE   7           HB1      PHE   7  63.520   7.643 -23.064
   38    HD1  PHE   7           HD2      PHE   7  63.620   8.338 -25.542
   39    HD2  PHE   7           HD1      PHE   7  63.431  11.150 -22.301
   40    HE1  PHE   7           HE2      PHE   7  64.481  10.120 -27.037
   41    HE2  PHE   7           HE1      PHE   7  64.292  12.932 -23.796
   42    HZ   PHE   7           HZ       PHE   7  64.817  12.417 -26.164
   43    H    ASP   8           HN       ASP   8  59.036   7.687 -22.866
   44    HA   ASP   8           HA       ASP   8  59.604   5.631 -20.838
   45    HB2  ASP   8           HB2      ASP   8  58.996   7.955 -19.851
   46    HB3  ASP   8           HB1      ASP   8  57.366   7.593 -20.416
   47    H    ASN   9           HN       ASN   9  58.960   5.143 -23.488
   48    HA   ASN   9           HA       ASN   9  56.472   3.683 -23.165
   49    HB2  ASN   9           HB2      ASN   9  56.738   6.048 -24.977
   50    HB3  ASN   9           HB1      ASN   9  55.768   4.675 -25.506
   51   HD21  ASN   9          HD21      ASN   9  56.066   7.118 -22.915
   52   HD22  ASN   9          HD22      ASN   9  54.460   6.980 -22.384
   53    H    TYR  10           HN       TYR  10  57.186   1.718 -23.711
   54    HA   TYR  10           HA       TYR  10  58.341   0.047 -24.810
   55    HB2  TYR  10           HB2      TYR  10  56.398   0.818 -26.361
   56    HB3  TYR  10           HB1      TYR  10  57.683   1.519 -27.345
   57    HD1  TYR  10           HD1      TYR  10  56.473  -1.652 -25.811
   58    HD2  TYR  10           HD2      TYR  10  59.082   0.157 -28.705
   59    HE1  TYR  10           HE1      TYR  10  56.966  -3.888 -26.764
   60    HE2  TYR  10           HE2      TYR  10  59.575  -2.079 -29.658
   61    HH   TYR  10           HH       TYR  10  59.441  -4.645 -28.486
   62    H    TYR  11           HN       TYR  11  59.790   2.679 -24.227
   63    HA   TYR  11           HA       TYR  11  61.846   2.627 -26.321
   64    HB2  TYR  11           HB2      TYR  11  61.133   4.525 -24.111
   65    HB3  TYR  11           HB1      TYR  11  62.754   4.558 -24.805
   66    HD1  TYR  11           HD1      TYR  11  62.886   4.595 -27.424
   67    HD2  TYR  11           HD2      TYR  11  59.406   5.709 -25.165
   68    HE1  TYR  11           HE1      TYR  11  62.032   5.873 -29.370
   69    HE2  TYR  11           HE2      TYR  11  58.552   6.986 -27.111
   70    HH   TYR  11           HH       TYR  11  59.227   6.630 -29.982
   71    H    GLY  12           HN       GLY  12  62.362   0.375 -25.503
   72    HA2  GLY  12           HA2      GLY  12  64.735  -0.114 -24.581
   73    HA3  GLY  12           HA1      GLY  12  64.014   0.410 -23.063
   74    H    ALA  13           HN       ALA  13  62.118  -0.797 -22.287
   75    HA   ALA  13           HA       ALA  13  61.385  -3.310 -23.404
   76    HB1  ALA  13           HB1      ALA  13  62.381  -4.733 -21.595
   77    HB2  ALA  13           HB2      ALA  13  63.348  -3.343 -21.103
   78    HB3  ALA  13           HB3      ALA  13  63.572  -4.050 -22.703
   79    H    ASP  14           HN       ASP  14  61.957  -2.802 -19.968
   80    HA   ASP  14           HA       ASP  14  60.522  -2.332 -18.222
   81    HB2  ASP  14           HB2      ASP  14  59.563  -0.704 -20.115
   82    HB3  ASP  14           HB1      ASP  14  58.201  -1.818 -20.012
   83    H    ASN  15           HN       ASN  15  60.635  -4.889 -19.955
   84    HA   ASN  15           HA       ASN  15  59.628  -6.958 -20.015
   85    HB2  ASN  15           HB2      ASN  15  58.434  -6.210 -17.350
   86    HB3  ASN  15           HB1      ASN  15  58.944  -7.801 -17.913
   87   HD21  ASN  15          HD21      ASN  15  60.119  -4.694 -16.674
   88   HD22  ASN  15          HD22      ASN  15  61.705  -5.220 -16.375
   89    H    GLN  16           HN       GLN  16  58.134  -6.881 -21.638
   90    HA   GLN  16           HA       GLN  16  55.528  -5.658 -21.185
   91    HB2  GLN  16           HB2      GLN  16  55.098  -6.255 -23.530
   92    HB3  GLN  16           HB1      GLN  16  56.630  -5.395 -23.371
   93    HG2  GLN  16           HG2      GLN  16  57.452  -7.974 -23.029
   94    HG3  GLN  16           HG1      GLN  16  56.114  -8.199 -24.154
   95   HE21  GLN  16          HE21      GLN  16  59.247  -6.543 -23.744
   96   HE22  GLN  16          HE22      GLN  16  59.488  -6.247 -25.398
   97    H    SER  17           HN       SER  17  56.963  -8.860 -21.504
   98    HA   SER  17           HA       SER  17  54.627 -10.043 -20.244
   99    HB2  SER  17           HB2      SER  17  54.667  -9.993 -23.006
  100    HB3  SER  17           HB1      SER  17  55.346 -11.575 -22.631
  101    HG   SER  17           HG       SER  17  52.985 -10.542 -21.444
  102    H    GLU  18           HN       GLU  18  57.691  -9.666 -20.063
  103    HA   GLU  18           HA       GLU  18  59.120 -11.988 -20.316
  104    HB2  GLU  18           HB2      GLU  18  59.694  -9.628 -19.226
  105    HB3  GLU  18           HB1      GLU  18  59.404 -10.523 -17.734
  106    HG2  GLU  18           HG2      GLU  18  61.668 -10.943 -18.065
  107    HG3  GLU  18           HG1      GLU  18  60.945 -12.334 -18.872
  108    H    CYS  19           HN       CYS  19  57.431 -11.067 -17.303
  109    HA   CYS  19           HA       CYS  19  56.653 -12.359 -15.562
  110    HB2  CYS  19           HB2      CYS  19  54.955 -13.786 -16.180
  111    HB3  CYS  19           HB1      CYS  19  55.163 -12.907 -17.694
  112    HG   CYS  19           HG       CYS  19  56.116 -15.818 -17.169
  113    H    GLU  20           HN       GLU  20  59.431 -12.882 -16.685
  114    HA   GLU  20           HA       GLU  20  59.847 -15.412 -15.240
  115    HB2  GLU  20           HB2      GLU  20  60.839 -14.760 -18.017
  116    HB3  GLU  20           HB1      GLU  20  61.564 -16.017 -17.014
  117    HG2  GLU  20           HG2      GLU  20  59.326 -17.091 -16.801
  118    HG3  GLU  20           HG1      GLU  20  58.666 -15.876 -17.894
  119    H    TYR  21           HN       TYR  21  60.354 -12.348 -15.028
  120    HA   TYR  21           HA       TYR  21  63.268 -12.421 -14.616
  121    HB2  TYR  21           HB2      TYR  21  62.553 -10.534 -15.920
  122    HB3  TYR  21           HB1      TYR  21  61.294 -10.134 -14.750
  123    HD1  TYR  21           HD1      TYR  21  64.998 -10.497 -15.106
  124    HD2  TYR  21           HD2      TYR  21  61.755  -8.707 -12.932
  125    HE1  TYR  21           HE1      TYR  21  66.615  -9.107 -13.839
  126    HE2  TYR  21           HE2      TYR  21  63.371  -7.317 -11.665
  127    HH   TYR  21           HH       TYR  21  66.084  -6.507 -12.419
  128    H    THR  22           HN       THR  22  60.216 -12.169 -12.945
  129    HA   THR  22           HA       THR  22  61.660 -12.308 -10.384
  130    HB   THR  22           HB       THR  22  59.276 -10.787  -9.992
  131    HG1  THR  22           HG1      THR  22  59.342  -9.989 -12.007
  132   HG21  THR  22          HG21      THR  22  61.290 -10.786  -8.565
  133   HG22  THR  22          HG22      THR  22  60.885  -9.153  -9.094
  134   HG23  THR  22          HG23      THR  22  62.208 -10.028  -9.865
  135    H    ASP  23           HN       ASP  23  59.982 -14.072 -12.265
  136    HA   ASP  23           HA       ASP  23  58.122 -15.063 -10.186
  137    HB2  ASP  23           HB2      ASP  23  57.532 -14.191 -12.846
  138    HB3  ASP  23           HB1      ASP  23  57.250 -15.928 -12.746
  139    H    TRP  24           HN       TRP  24  60.668 -15.721 -12.398
  140    HA   TRP  24           HA       TRP  24  60.402 -18.446 -12.879
  141    HB2  TRP  24           HB2      TRP  24  62.826 -18.487 -13.166
  142    HB3  TRP  24           HB1      TRP  24  62.160 -17.020 -13.882
  143    HD1  TRP  24           HD1      TRP  24  62.211 -14.801 -12.157
  144    HE1  TRP  24           HE1      TRP  24  64.127 -14.071 -10.594
  145    HE3  TRP  24           HE3      TRP  24  64.781 -19.199 -11.796
  146    HZ2  TRP  24           HZ2      TRP  24  66.443 -15.202  -9.355
  147    HZ3  TRP  24           HZ3      TRP  24  66.836 -19.345 -10.419
  148    HH2  TRP  24           HH2      TRP  24  67.670 -17.353  -9.200
  149    H    LYS  25           HN       LYS  25  60.615 -16.911  -9.913
  150    HA   LYS  25           HA       LYS  25  61.267 -19.462  -8.591
  151    HB2  LYS  25           HB2      LYS  25  62.349 -17.902  -6.779
  152    HB3  LYS  25           HB1      LYS  25  63.285 -18.389  -8.190
  153    HG2  LYS  25           HG2      LYS  25  63.497 -15.963  -7.771
  154    HG3  LYS  25           HG1      LYS  25  62.709 -16.273  -9.316
  155    HD2  LYS  25           HD2      LYS  25  60.585 -15.677  -8.492
  156    HD3  LYS  25           HD1      LYS  25  61.080 -15.885  -6.811
  157    HE2  LYS  25           HE2      LYS  25  62.448 -13.906  -6.888
  158    HE3  LYS  25           HE1      LYS  25  62.238 -13.763  -8.634
  159    HZ1  LYS  25           HZ1      LYS  25  60.377 -12.634  -8.317
  160    HZ2  LYS  25           HZ2      LYS  25  60.648 -12.669  -6.640
  161    HZ3  LYS  25           HZ3      LYS  25  59.717 -13.883  -7.379
  162    H    SER  26           HN       SER  26  59.034 -17.147  -9.110
  163    HA   SER  26           HA       SER  26  57.254 -16.262  -7.919
  164    HB2  SER  26           HB2      SER  26  55.934 -18.033  -6.803
  165    HB3  SER  26           HB1      SER  26  56.510 -18.537  -8.390
  166    HG   SER  26           HG       SER  26  57.802 -19.951  -7.476
  167    H    SER  27           HN       SER  27  58.493 -14.791  -6.617
  168    HA   SER  27           HA       SER  27  58.418 -15.519  -3.767
  169    HB2  SER  27           HB2      SER  27  60.771 -14.234  -5.170
  170    HB3  SER  27           HB1      SER  27  60.601 -14.384  -3.423
  171    HG   SER  27           HG       SER  27  60.185 -16.750  -4.129
  172    H    GLY  28           HN       GLY  28  57.276 -13.584  -6.073
  173    HA2  GLY  28           HA2      GLY  28  56.815 -11.378  -4.186
  174    HA3  GLY  28           HA1      GLY  28  57.464 -10.991  -5.777
  175    H    ALA  29           HN       ALA  29  55.143 -13.554  -5.116
  176    HA   ALA  29           HA       ALA  29  52.996 -11.949  -6.335
  177    HB1  ALA  29           HB1      ALA  29  54.353 -14.202  -7.550
  178    HB2  ALA  29           HB2      ALA  29  53.144 -13.121  -8.242
  179    HB3  ALA  29           HB3      ALA  29  52.637 -14.542  -7.329
  180    H    LEU  30           HN       LEU  30  54.077 -14.366  -4.145
  181    HA   LEU  30           HA       LEU  30  51.298 -14.949  -3.323
  182    HB2  LEU  30           HB2      LEU  30  53.135 -16.668  -2.000
  183    HB3  LEU  30           HB1      LEU  30  51.927 -17.092  -3.210
  184    HG   LEU  30           HG       LEU  30  54.701 -16.051  -3.868
  185   HD11  LEU  30          HD11      LEU  30  55.214 -18.161  -3.078
  186   HD12  LEU  30          HD12      LEU  30  54.769 -18.569  -4.735
  187   HD13  LEU  30          HD13      LEU  30  53.607 -18.798  -3.428
  188   HD21  LEU  30          HD21      LEU  30  53.969 -15.959  -6.004
  189   HD22  LEU  30          HD22      LEU  30  52.335 -16.219  -5.393
  190   HD23  LEU  30          HD23      LEU  30  53.316 -17.594  -5.899
  191    H    ILE  31           HN       ILE  31  54.210 -13.386  -2.437
  192    HA   ILE  31           HA       ILE  31  53.586 -13.393   0.416
  193    HB   ILE  31           HB       ILE  31  55.739 -11.631  -0.565
  194   HG12  ILE  31          HG12      ILE  31  56.001 -13.429  -2.191
  195   HG13  ILE  31          HG11      ILE  31  57.258 -13.584  -0.967
  196   HG21  ILE  31          HG21      ILE  31  56.922 -12.668   1.308
  197   HG22  ILE  31          HG22      ILE  31  55.635 -13.861   1.486
  198   HG23  ILE  31          HG23      ILE  31  55.313 -12.160   1.822
  199   HD11  ILE  31          HD11      ILE  31  55.091 -15.426  -1.641
  200   HD12  ILE  31          HD12      ILE  31  55.156 -15.075   0.083
  201   HD13  ILE  31          HD13      ILE  31  56.573 -15.724  -0.737
  202    HA   PRO  32           HA       PRO  32  52.758  -8.846  -0.615
  203    HB2  PRO  32           HB2      PRO  32  52.701  -8.014  -3.194
  204    HB3  PRO  32           HB1      PRO  32  54.212  -8.175  -2.280
  205    HG2  PRO  32           HG2      PRO  32  53.124  -9.868  -4.427
  206    HG3  PRO  32           HG1      PRO  32  54.801  -9.611  -3.926
  207    HD2  PRO  32           HD2      PRO  32  53.119 -11.828  -3.268
  208    HD3  PRO  32           HD1      PRO  32  54.762 -11.509  -2.674
  209    H    ALA  33           HN       ALA  33  51.008 -11.312  -1.088
  210    HA   ALA  33           HA       ALA  33  48.623  -9.851  -2.049
  211    HB1  ALA  33           HB1      ALA  33  48.310 -12.655  -2.504
  212    HB2  ALA  33           HB2      ALA  33  49.826 -12.136  -3.242
  213    HB3  ALA  33           HB3      ALA  33  48.313 -11.345  -3.685
  214    H    ILE  34           HN       ILE  34  50.042 -11.029   0.576
  215    HA   ILE  34           HA       ILE  34  47.471 -11.708   1.834
  216    HB   ILE  34           HB       ILE  34  49.431 -13.301   3.101
  217   HG12  ILE  34          HG12      ILE  34  49.388 -13.684   0.089
  218   HG13  ILE  34          HG11      ILE  34  50.752 -13.033   0.998
  219   HG21  ILE  34          HG21      ILE  34  47.965 -15.126   2.350
  220   HG22  ILE  34          HG22      ILE  34  47.220 -14.054   1.164
  221   HG23  ILE  34          HG23      ILE  34  47.000 -13.751   2.887
  222   HD11  ILE  34          HD11      ILE  34  50.087 -15.774   0.544
  223   HD12  ILE  34          HD12      ILE  34  49.923 -15.453   2.270
  224   HD13  ILE  34          HD13      ILE  34  51.450 -15.120   1.453
  225    H    TYR  35           HN       TYR  35  50.909 -10.950   2.309
  226    HA   TYR  35           HA       TYR  35  50.648 -10.175   5.036
  227    HB2  TYR  35           HB2      TYR  35  52.732  -9.999   2.933
  228    HB3  TYR  35           HB1      TYR  35  52.847  -8.831   4.250
  229    HD1  TYR  35           HD2      TYR  35  52.527 -12.476   3.516
  230    HD2  TYR  35           HD1      TYR  35  53.623  -9.478   6.391
  231    HE1  TYR  35           HE2      TYR  35  53.452 -14.236   4.999
  232    HE2  TYR  35           HE1      TYR  35  54.548 -11.238   7.874
  233    HH   TYR  35           HH       TYR  35  54.085 -13.808   8.183
  234    H    MET  36           HN       MET  36  49.095  -8.873   2.568
  235    HA   MET  36           HA       MET  36  49.571  -6.061   3.303
  236    HB2  MET  36           HB2      MET  36  48.080  -7.309   0.983
  237    HB3  MET  36           HB1      MET  36  48.169  -5.573   1.289
  238    HG2  MET  36           HG2      MET  36  50.682  -7.225   1.120
  239    HG3  MET  36           HG1      MET  36  49.902  -6.628  -0.344
  240    HE1  MET  36           HE1      MET  36  52.701  -6.113   0.325
  241    HE2  MET  36           HE2      MET  36  52.661  -5.850   2.067
  242    HE3  MET  36           HE3      MET  36  53.161  -4.542   0.997
  243    H    LEU  37           HN       LEU  37  46.736  -8.075   2.473
  244    HA   LEU  37           HA       LEU  37  44.957  -6.393   3.977
  245    HB2  LEU  37           HB2      LEU  37  43.323  -8.301   3.488
  246    HB3  LEU  37           HB1      LEU  37  44.002  -7.464   2.091
  247    HG   LEU  37           HG       LEU  37  45.677  -9.688   2.993
  248   HD11  LEU  37          HD11      LEU  37  42.866 -10.254   1.999
  249   HD12  LEU  37          HD12      LEU  37  43.502 -10.661   3.593
  250   HD13  LEU  37          HD13      LEU  37  44.148 -11.455   2.156
  251   HD21  LEU  37          HD21      LEU  37  45.781 -10.123   0.633
  252   HD22  LEU  37          HD22      LEU  37  45.767  -8.369   0.813
  253   HD23  LEU  37          HD23      LEU  37  44.296  -9.218   0.337
  254    H    VAL  38           HN       VAL  38  47.278  -8.054   5.221
  255    HA   VAL  38           HA       VAL  38  45.675  -9.063   7.491
  256    HB   VAL  38           HB       VAL  38  48.108 -10.366   6.247
  257   HG11  VAL  38          HG11      VAL  38  47.526 -12.123   8.064
  258   HG12  VAL  38          HG12      VAL  38  46.653 -10.808   8.852
  259   HG13  VAL  38          HG13      VAL  38  48.389 -10.670   8.571
  260   HG21  VAL  38          HG21      VAL  38  45.859 -12.095   6.663
  261   HG22  VAL  38          HG22      VAL  38  46.607 -11.627   5.137
  262   HG23  VAL  38          HG23      VAL  38  45.300 -10.655   5.812
  263    H    PHE  39           HN       PHE  39  49.136  -8.662   6.718
  264    HA   PHE  39           HA       PHE  39  50.124  -8.039   9.171
  265    HB2  PHE  39           HB2      PHE  39  51.326  -8.126   6.883
  266    HB3  PHE  39           HB1      PHE  39  50.960  -6.404   6.787
  267    HD1  PHE  39           HD1      PHE  39  52.569  -8.989   8.948
  268    HD2  PHE  39           HD2      PHE  39  52.254  -4.818   7.971
  269    HE1  PHE  39           HE1      PHE  39  54.491  -8.496  10.436
  270    HE2  PHE  39           HE2      PHE  39  54.176  -4.324   9.458
  271    HZ   PHE  39           HZ       PHE  39  55.294  -6.163  10.691
  272    H    LEU  40           HN       LEU  40  48.513  -5.786   6.950
  273    HA   LEU  40           HA       LEU  40  48.503  -3.743   9.076
  274    HB2  LEU  40           HB2      LEU  40  48.117  -3.590   6.087
  275    HB3  LEU  40           HB1      LEU  40  47.726  -2.246   7.160
  276    HG   LEU  40           HG       LEU  40  50.366  -3.425   7.681
  277   HD11  LEU  40          HD11      LEU  40  49.814  -2.044   5.036
  278   HD12  LEU  40          HD12      LEU  40  50.317  -3.722   5.241
  279   HD13  LEU  40          HD13      LEU  40  51.416  -2.413   5.676
  280   HD21  LEU  40          HD21      LEU  40  49.604  -0.588   6.948
  281   HD22  LEU  40          HD22      LEU  40  50.978  -1.124   7.914
  282   HD23  LEU  40          HD23      LEU  40  49.343  -1.249   8.562
  283    H    LEU  41           HN       LEU  41  46.808  -5.696   9.711
  284    HA   LEU  41           HA       LEU  41  44.238  -4.387   9.564
  285    HB2  LEU  41           HB2      LEU  41  44.049  -5.595   7.501
  286    HB3  LEU  41           HB1      LEU  41  44.693  -7.063   8.230
  287    HG   LEU  41           HG       LEU  41  42.719  -7.356   9.581
  288   HD11  LEU  41          HD11      LEU  41  42.084  -4.555   8.650
  289   HD12  LEU  41          HD12      LEU  41  42.151  -5.174  10.300
  290   HD13  LEU  41          HD13      LEU  41  40.817  -5.629   9.241
  291   HD21  LEU  41          HD21      LEU  41  40.940  -7.418   7.810
  292   HD22  LEU  41          HD22      LEU  41  42.465  -8.140   7.297
  293   HD23  LEU  41          HD23      LEU  41  42.027  -6.521   6.749
  294    H    GLY  42           HN       GLY  42  45.527  -7.661  10.195
  295    HA2  GLY  42           HA2      GLY  42  43.918  -8.064  12.511
  296    HA3  GLY  42           HA1      GLY  42  45.290  -9.052  12.019
  297    H    THR  43           HN       THR  43  46.130  -5.795  12.191
  298    HA   THR  43           HA       THR  43  46.673  -5.624  15.009
  299    HB   THR  43           HB       THR  43  48.560  -6.894  14.893
  300    HG1  THR  43           HG1      THR  43  49.647  -5.103  15.270
  301   HG21  THR  43          HG21      THR  43  48.328  -7.835  12.751
  302   HG22  THR  43          HG22      THR  43  49.887  -7.014  12.663
  303   HG23  THR  43          HG23      THR  43  48.457  -6.269  11.950
  304    H    THR  44           HN       THR  44  48.007  -4.512  11.885
  305    HA   THR  44           HA       THR  44  48.365  -2.403  11.051
  306    HB   THR  44           HB       THR  44  46.595  -0.930  11.214
  307    HG1  THR  44           HG1      THR  44  46.852  -1.517  13.884
  308   HG21  THR  44          HG21      THR  44  45.105  -3.174  12.513
  309   HG22  THR  44          HG22      THR  44  45.901  -3.479  10.970
  310   HG23  THR  44          HG23      THR  44  44.676  -2.217  11.095
  311    H    GLY  45           HN       GLY  45  49.165  -3.297  14.060
  312    HA2  GLY  45           HA2      GLY  45  50.973  -2.462  15.307
  313    HA3  GLY  45           HA1      GLY  45  50.810  -0.920  14.472
  314    H    ASN  46           HN       ASN  46  47.799  -1.998  15.451
  315    HA   ASN  46           HA       ASN  46  47.828  -0.145  17.738
  316    HB2  ASN  46           HB2      ASN  46  45.545  -1.282  16.108
  317    HB3  ASN  46           HB1      ASN  46  45.346  -0.213  17.496
  318   HD21  ASN  46          HD21      ASN  46  47.965   0.074  15.089
  319   HD22  ASN  46          HD22      ASN  46  47.452   1.571  14.475
  320    H    GLY  47           HN       GLY  47  47.929  -3.431  17.053
  321    HA2  GLY  47           HA2      GLY  47  46.449  -4.259  19.439
  322    HA3  GLY  47           HA1      GLY  47  47.159  -5.325  18.230
  323    H    LEU  48           HN       LEU  48  49.747  -4.008  18.234
  324    HA   LEU  48           HA       LEU  48  50.776  -5.120  20.761
  325    HB2  LEU  48           HB2      LEU  48  52.965  -5.152  19.563
  326    HB3  LEU  48           HB1      LEU  48  51.727  -6.127  18.770
  327    HG   LEU  48           HG       LEU  48  51.484  -3.487  17.747
  328   HD11  LEU  48          HD11      LEU  48  53.702  -3.072  16.838
  329   HD12  LEU  48          HD12      LEU  48  54.321  -4.549  17.579
  330   HD13  LEU  48          HD13      LEU  48  53.827  -3.193  18.593
  331   HD21  LEU  48          HD21      LEU  48  50.931  -5.557  16.549
  332   HD22  LEU  48          HD22      LEU  48  52.628  -6.037  16.561
  333   HD23  LEU  48          HD23      LEU  48  52.116  -4.631  15.627
  334    H    VAL  49           HN       VAL  49  49.580  -2.403  20.388
  335    HA   VAL  49           HA       VAL  49  51.847  -0.888  21.501
  336    HB   VAL  49           HB       VAL  49  49.991   0.025  19.298
  337   HG11  VAL  49          HG11      VAL  49  50.048   1.932  20.640
  338   HG12  VAL  49          HG12      VAL  49  51.478   2.175  19.636
  339   HG13  VAL  49          HG13      VAL  49  51.648   1.557  21.279
  340   HG21  VAL  49          HG21      VAL  49  52.069   0.413  18.091
  341   HG22  VAL  49          HG22      VAL  49  52.073  -1.244  18.696
  342   HG23  VAL  49          HG23      VAL  49  53.017  -0.002  19.519
  343    H    LEU  50           HN       LEU  50  48.369  -1.287  21.114
  344    HA   LEU  50           HA       LEU  50  47.861   0.560  23.338
  345    HB2  LEU  50           HB2      LEU  50  46.493   0.627  21.206
  346    HB3  LEU  50           HB1      LEU  50  45.827  -0.937  21.679
  347    HG   LEU  50           HG       LEU  50  45.573   0.550  23.994
  348   HD11  LEU  50          HD11      LEU  50  44.569   2.680  23.332
  349   HD12  LEU  50          HD12      LEU  50  44.853   2.312  21.631
  350   HD13  LEU  50          HD13      LEU  50  46.218   2.589  22.713
  351   HD21  LEU  50          HD21      LEU  50  43.889  -0.963  23.054
  352   HD22  LEU  50          HD22      LEU  50  43.591   0.161  21.728
  353   HD23  LEU  50          HD23      LEU  50  43.159   0.610  23.378
  354    H    TRP  51           HN       TRP  51  46.801  -2.714  22.370
  355    HA   TRP  51           HA       TRP  51  45.622  -3.599  24.652
  356    HB2  TRP  51           HB2      TRP  51  45.731  -5.616  23.660
  357    HB3  TRP  51           HB1      TRP  51  46.603  -4.807  22.358
  358    HD1  TRP  51           HD1      TRP  51  49.385  -4.533  22.951
  359    HE1  TRP  51           HE1      TRP  51  50.949  -6.385  23.831
  360    HE3  TRP  51           HE3      TRP  51  45.933  -7.748  24.907
  361    HZ2  TRP  51           HZ2      TRP  51  50.761  -8.897  25.185
  362    HZ3  TRP  51           HZ3      TRP  51  46.652  -9.860  25.985
  363    HH2  TRP  51           HH2      TRP  51  49.059 -10.438  26.126
  364    H    THR  52           HN       THR  52  49.005  -2.925  24.188
  365    HA   THR  52           HA       THR  52  50.144  -4.373  26.287
  366    HB   THR  52           HB       THR  52  51.402  -3.082  24.550
  367    HG1  THR  52           HG1      THR  52  52.477  -3.764  26.395
  368   HG21  THR  52          HG21      THR  52  49.874  -1.022  24.943
  369   HG22  THR  52          HG22      THR  52  51.589  -0.738  24.646
  370   HG23  THR  52          HG23      THR  52  50.955  -0.665  26.290
  371    H    VAL  53           HN       VAL  53  48.597  -1.182  26.290
  372    HA   VAL  53           HA       VAL  53  49.150  -0.299  28.835
  373    HB   VAL  53           HB       VAL  53  46.428  -0.120  27.526
  374   HG11  VAL  53          HG11      VAL  53  47.447   0.847  29.974
  375   HG12  VAL  53          HG12      VAL  53  45.940   1.318  29.189
  376   HG13  VAL  53          HG13      VAL  53  47.416   2.234  28.886
  377   HG21  VAL  53          HG21      VAL  53  47.987   2.198  27.049
  378   HG22  VAL  53          HG22      VAL  53  47.429   1.021  25.860
  379   HG23  VAL  53          HG23      VAL  53  49.004   0.820  26.628
  380    H    PHE  54           HN       PHE  54  46.673  -2.636  27.844
  381    HA   PHE  54           HA       PHE  54  45.660  -2.995  30.513
  382    HB2  PHE  54           HB2      PHE  54  45.047  -3.975  27.826
  383    HB3  PHE  54           HB1      PHE  54  44.870  -5.215  29.068
  384    HD1  PHE  54           HD1      PHE  54  43.974  -1.658  28.316
  385    HD2  PHE  54           HD2      PHE  54  42.955  -5.259  30.426
  386    HE1  PHE  54           HE1      PHE  54  41.838  -0.628  29.043
  387    HE2  PHE  54           HE2      PHE  54  40.819  -4.229  31.153
  388    HZ   PHE  54           HZ       PHE  54  40.261  -1.913  30.461
  389    H    ARG  55           HN       ARG  55  48.596  -3.570  29.621
  390    HA   ARG  55           HA       ARG  55  48.800  -6.095  31.131
  391    HB2  ARG  55           HB2      ARG  55  49.037  -6.459  28.629
  392    HB3  ARG  55           HB1      ARG  55  50.507  -5.487  28.715
  393    HG2  ARG  55           HG2      ARG  55  51.387  -7.048  30.457
  394    HG3  ARG  55           HG1      ARG  55  49.956  -8.054  30.231
  395    HD2  ARG  55           HD2      ARG  55  50.980  -9.077  28.514
  396    HD3  ARG  55           HD1      ARG  55  51.001  -7.544  27.647
  397    HE   ARG  55           HE       ARG  55  53.154  -7.325  29.281
  398   HH11  ARG  55          HH21      ARG  55  52.008  -9.785  27.133
  399   HH12  ARG  55          HH22      ARG  55  53.590 -10.369  26.738
  400   HH21  ARG  55          HH11      ARG  55  55.231  -8.086  28.767
  401   HH22  ARG  55          HH12      ARG  55  55.415  -9.408  27.663
  402    H    LYS  56           HN       LYS  56  50.282  -3.097  30.037
  403    HA   LYS  56           HA       LYS  56  52.747  -3.298  31.362
  404    HB2  LYS  56           HB2      LYS  56  51.145  -0.769  30.926
  405    HB3  LYS  56           HB1      LYS  56  52.892  -0.900  31.129
  406    HG2  LYS  56           HG2      LYS  56  52.266  -2.669  29.039
  407    HG3  LYS  56           HG1      LYS  56  51.306  -1.223  28.722
  408    HD2  LYS  56           HD2      LYS  56  54.292  -1.276  29.255
  409    HD3  LYS  56           HD1      LYS  56  53.532  -1.034  27.682
  410    HE2  LYS  56           HE2      LYS  56  52.268   0.843  29.287
  411    HE3  LYS  56           HE1      LYS  56  53.935   0.877  29.863
  412    HZ1  LYS  56           HZ1      LYS  56  54.713   1.269  27.660
  413    HZ2  LYS  56           HZ2      LYS  56  53.484   2.398  27.979
  414    HZ3  LYS  56           HZ3      LYS  56  53.166   1.045  27.002
  415    H    LYS  57           HN       LYS  57  49.621  -3.103  32.638
  416    HA   LYS  57           HA       LYS  57  49.858  -1.547  34.919
  417    HB2  LYS  57           HB2      LYS  57  48.441  -4.216  34.806
  418    HB3  LYS  57           HB1      LYS  57  48.059  -2.842  35.844
  419    HG2  LYS  57           HG2      LYS  57  48.054  -1.815  33.225
  420    HG3  LYS  57           HG1      LYS  57  47.206  -3.359  33.124
  421    HD2  LYS  57           HD2      LYS  57  45.805  -2.659  35.079
  422    HD3  LYS  57           HD1      LYS  57  46.583  -1.076  35.019
  423    HE2  LYS  57           HE2      LYS  57  45.747  -0.695  32.767
  424    HE3  LYS  57           HE1      LYS  57  45.083  -2.328  32.700
  425    HZ1  LYS  57           HZ1      LYS  57  43.248  -1.592  33.661
  426    HZ2  LYS  57           HZ2      LYS  57  43.880  -0.015  33.705
  427    HZ3  LYS  57           HZ3      LYS  57  44.129  -1.070  35.014
  428    H    GLY  58           HN       GLY  58  51.154  -4.731  34.248
  429    HA2  GLY  58           HA2      GLY  58  53.063  -4.558  36.353
  430    HA3  GLY  58           HA1      GLY  58  51.756  -5.654  36.795
  431    H    HIS  59           HN       HIS  59  54.217  -5.015  34.329
  432    HA   HIS  59           HA       HIS  59  54.028  -7.144  32.652
  433    HB2  HIS  59           HB2      HIS  59  56.313  -5.608  33.756
  434    HB3  HIS  59           HB1      HIS  59  56.704  -7.146  32.986
  435    HD2  HIS  59           HD2      HIS  59  56.026  -3.562  31.926
  436    HE1  HIS  59           HE1      HIS  59  55.255  -5.913  28.505
  437    HE2  HIS  59           HE2      HIS  59  55.599  -3.543  29.350
  438    H    HIS  60           HN       HIS  60  55.139  -7.197  35.990
  439    HA   HIS  60           HA       HIS  60  56.147  -9.855  35.982
  440    HB2  HIS  60           HB2      HIS  60  55.554  -9.561  38.548
  441    HB3  HIS  60           HB1      HIS  60  56.900  -8.683  37.821
  442    HD2  HIS  60           HD2      HIS  60  53.552  -7.923  39.578
  443    HE1  HIS  60           HE1      HIS  60  54.895  -4.284  37.911
  444    HE2  HIS  60           HE2      HIS  60  53.199  -5.338  39.480
  445    H    HIS  61           HN       HIS  61  53.600  -9.154  38.246
  446    HA   HIS  61           HA       HIS  61  51.649 -10.823  36.883
  447    HB2  HIS  61           HB2      HIS  61  53.466 -11.960  38.779
  448    HB3  HIS  61           HB1      HIS  61  51.848 -11.951  39.482
  449    HD2  HIS  61           HD2      HIS  61  53.833 -13.851  36.756
  450    HE1  HIS  61           HE1      HIS  61  49.805 -15.072  36.420
  451    HE2  HIS  61           HE2      HIS  61  52.179 -15.545  35.653
  452    H    HIS  62           HN       HIS  62  49.869  -9.634  37.112
  453    HA   HIS  62           HA       HIS  62  49.495  -7.908  39.416
  454    HB2  HIS  62           HB2      HIS  62  47.444  -7.199  38.250
  455    HB3  HIS  62           HB1      HIS  62  48.845  -7.124  37.182
  456    HD2  HIS  62           HD2      HIS  62  45.365  -8.671  37.179
  457    HE1  HIS  62           HE1      HIS  62  47.584 -10.851  34.324
  458    HE2  HIS  62           HE2      HIS  62  45.253 -10.399  35.224
  459    H    HIS  63           HN       HIS  63  46.467  -8.669  38.671
  460    HA   HIS  63           HA       HIS  63  44.813  -9.674  39.938
  461    HB2  HIS  63           HB2      HIS  63  45.688 -11.461  38.336
  462    HB3  HIS  63           HB1      HIS  63  46.577 -12.113  39.713
  463    HD2  HIS  63           HD2      HIS  63  42.745 -11.047  39.267
  464    HE1  HIS  63           HE1      HIS  63  42.962 -14.676  41.413
  465    HE2  HIS  63           HE2      HIS  63  41.384 -12.932  40.456
  466    H    HIS  64           HN       HIS  64  46.631  -8.316  41.569
  467    HA   HIS  64           HA       HIS  64  47.869  -9.658  43.626
  468    HB2  HIS  64           HB2      HIS  64  47.588  -7.683  44.955
  469    HB3  HIS  64           HB1      HIS  64  47.766  -7.157  43.281
  470    HD2  HIS  64           HD2      HIS  64  45.191  -6.907  46.144
  471    HE1  HIS  64           HE1      HIS  64  43.257  -5.534  42.652
  472    HE2  HIS  64           HE2      HIS  64  43.080  -5.711  45.179
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  41.907 -42.531 -12.427
    2    H2   MET   1           HT2      MET   1  43.271 -43.309 -11.779
    3    H3   MET   1           HT3      MET   1  43.397 -42.431 -13.228
    4    HA   MET   1           HA       MET   1  44.329 -41.048 -11.601
    5    HB2  MET   1           HB2      MET   1  41.477 -40.359 -12.306
    6    HB3  MET   1           HB1      MET   1  42.485 -39.250 -11.376
    7    HG2  MET   1           HG2      MET   1  44.036 -38.993 -13.142
    8    HG3  MET   1           HG1      MET   1  43.456 -40.434 -13.976
    9    HE1  MET   1           HE1      MET   1  42.563 -37.029 -12.577
   10    HE2  MET   1           HE2      MET   1  41.767 -36.214 -13.920
   11    HE3  MET   1           HE3      MET   1  43.459 -36.682 -14.062
   12    H    GLU   2           HN       GLU   2  44.270 -40.109  -9.486
   13    HA   GLU   2           HA       GLU   2  43.054 -41.866  -7.516
   14    HB2  GLU   2           HB2      GLU   2  44.715 -39.392  -7.014
   15    HB3  GLU   2           HB1      GLU   2  44.428 -40.740  -5.914
   16    HG2  GLU   2           HG2      GLU   2  45.447 -42.067  -8.058
   17    HG3  GLU   2           HG1      GLU   2  46.303 -40.532  -8.195
   18    H    GLU   3           HN       GLU   3  43.259 -39.100  -5.901
   19    HA   GLU   3           HA       GLU   3  40.645 -38.009  -6.661
   20    HB2  GLU   3           HB2      GLU   3  41.307 -39.247  -3.992
   21    HB3  GLU   3           HB1      GLU   3  40.018 -38.056  -4.178
   22    HG2  GLU   3           HG2      GLU   3  38.954 -39.478  -5.894
   23    HG3  GLU   3           HG1      GLU   3  40.235 -40.672  -5.695
   24    H    GLY   4           HN       GLY   4  42.229 -37.555  -3.569
   25    HA2  GLY   4           HA2      GLY   4  43.660 -35.821  -2.863
   26    HA3  GLY   4           HA1      GLY   4  43.459 -35.044  -4.430
   27    H    GLY   5           HN       GLY   5  41.868 -35.697  -1.342
   28    HA2  GLY   5           HA2      GLY   5  39.885 -33.595  -1.886
   29    HA3  GLY   5           HA1      GLY   5  39.815 -34.765  -0.572
   30    H    ASP   6           HN       ASP   6  39.996 -31.633  -0.972
   31    HA   ASP   6           HA       ASP   6  41.130 -31.089   1.569
   32    HB2  ASP   6           HB2      ASP   6  43.062 -29.696   0.724
   33    HB3  ASP   6           HB1      ASP   6  43.276 -31.440   0.573
   34    H    PHE   7           HN       PHE   7  40.297 -29.883  -1.640
   35    HA   PHE   7           HA       PHE   7  39.124 -28.028  -2.318
   36    HB2  PHE   7           HB2      PHE   7  38.246 -27.589   0.523
   37    HB3  PHE   7           HB1      PHE   7  37.353 -27.308  -0.972
   38    HD1  PHE   7           HD2      PHE   7  36.698 -29.334  -2.395
   39    HD2  PHE   7           HD1      PHE   7  38.086 -29.658   1.657
   40    HE1  PHE   7           HE2      PHE   7  35.723 -31.610  -2.242
   41    HE2  PHE   7           HE1      PHE   7  37.110 -31.934   1.809
   42    HZ   PHE   7           HZ       PHE   7  35.929 -32.908  -0.140
   43    H    ASP   8           HN       ASP   8  41.712 -27.501  -2.049
   44    HA   ASP   8           HA       ASP   8  41.717 -24.734  -1.117
   45    HB2  ASP   8           HB2      ASP   8  43.616 -26.840  -0.066
   46    HB3  ASP   8           HB1      ASP   8  43.901 -25.107   0.081
   47    H    ASN   9           HN       ASN   9  41.664 -25.319  -3.693
   48    HA   ASN   9           HA       ASN   9  44.283 -24.476  -4.620
   49    HB2  ASN   9           HB2      ASN   9  43.404 -27.233  -4.860
   50    HB3  ASN   9           HB1      ASN   9  43.681 -26.505  -6.441
   51   HD21  ASN   9          HD21      ASN   9  45.257 -28.065  -3.892
   52   HD22  ASN   9          HD22      ASN   9  46.843 -27.565  -4.234
   53    H    TYR  10           HN       TYR  10  43.820 -22.807  -5.888
   54    HA   TYR  10           HA       TYR  10  42.630 -21.391  -7.272
   55    HB2  TYR  10           HB2      TYR  10  43.595 -23.374  -8.721
   56    HB3  TYR  10           HB1      TYR  10  41.888 -23.774  -8.919
   57    HD1  TYR  10           HD1      TYR  10  44.401 -21.059  -9.343
   58    HD2  TYR  10           HD2      TYR  10  40.471 -22.483 -10.331
   59    HE1  TYR  10           HE1      TYR  10  44.174 -19.260 -11.035
   60    HE2  TYR  10           HE2      TYR  10  40.244 -20.683 -12.023
   61    HH   TYR  10           HH       TYR  10  41.264 -18.368 -12.388
   62    H    TYR  11           HN       TYR  11  41.104 -22.988  -5.142
   63    HA   TYR  11           HA       TYR  11  38.420 -22.979  -6.342
   64    HB2  TYR  11           HB2      TYR  11  39.629 -24.207  -3.894
   65    HB3  TYR  11           HB1      TYR  11  37.897 -23.881  -3.924
   66    HD1  TYR  11           HD1      TYR  11  36.641 -24.639  -6.122
   67    HD2  TYR  11           HD2      TYR  11  40.412 -26.217  -4.800
   68    HE1  TYR  11           HE1      TYR  11  36.277 -26.667  -7.503
   69    HE2  TYR  11           HE2      TYR  11  40.047 -28.244  -6.181
   70    HH   TYR  11           HH       TYR  11  37.762 -28.432  -8.601
   71    H    GLY  12           HN       GLY  12  38.081 -20.737  -6.480
   72    HA2  GLY  12           HA2      GLY  12  36.611 -19.377  -4.773
   73    HA3  GLY  12           HA1      GLY  12  38.181 -19.172  -4.002
   74    H    ALA  13           HN       ALA  13  39.940 -18.643  -5.857
   75    HA   ALA  13           HA       ALA  13  39.260 -17.119  -8.086
   76    HB1  ALA  13           HB1      ALA  13  39.904 -14.831  -6.856
   77    HB2  ALA  13           HB2      ALA  13  39.131 -15.650  -5.500
   78    HB3  ALA  13           HB3      ALA  13  38.235 -15.381  -6.995
   79    H    ASP  14           HN       ASP  14  41.407 -16.529  -5.289
   80    HA   ASP  14           HA       ASP  14  43.687 -16.202  -5.198
   81    HB2  ASP  14           HB2      ASP  14  44.930 -18.065  -5.865
   82    HB3  ASP  14           HB1      ASP  14  43.310 -18.731  -5.663
   83    H    ASN  15           HN       ASN  15  42.050 -14.960  -7.517
   84    HA   ASN  15           HA       ASN  15  43.989 -14.664  -9.636
   85    HB2  ASN  15           HB2      ASN  15  42.202 -13.956 -10.783
   86    HB3  ASN  15           HB1      ASN  15  41.227 -14.203  -9.335
   87   HD21  ASN  15          HD21      ASN  15  42.476 -11.807 -11.477
   88   HD22  ASN  15          HD22      ASN  15  42.021 -10.447 -10.569
   89    H    GLN  16           HN       GLN  16  43.400 -13.184  -6.612
   90    HA   GLN  16           HA       GLN  16  44.577 -10.624  -7.292
   91    HB2  GLN  16           HB2      GLN  16  44.503 -10.360  -4.734
   92    HB3  GLN  16           HB1      GLN  16  42.960 -10.499  -5.577
   93    HG2  GLN  16           HG2      GLN  16  44.127 -13.089  -4.821
   94    HG3  GLN  16           HG1      GLN  16  43.734 -12.060  -3.444
   95   HE21  GLN  16          HE21      GLN  16  42.160 -12.790  -6.622
   96   HE22  GLN  16          HE22      GLN  16  40.623 -13.055  -5.953
   97    H    SER  17           HN       SER  17  46.424 -12.235  -8.165
   98    HA   SER  17           HA       SER  17  48.612 -11.910  -6.255
   99    HB2  SER  17           HB2      SER  17  49.315 -14.151  -6.254
  100    HB3  SER  17           HB1      SER  17  47.568 -14.268  -6.055
  101    HG   SER  17           HG       SER  17  49.189 -14.954  -8.197
  102    H    GLU  18           HN       GLU  18  47.661 -13.100  -9.473
  103    HA   GLU  18           HA       GLU  18  48.789 -13.044 -11.492
  104    HB2  GLU  18           HB2      GLU  18  48.069 -10.546 -10.728
  105    HB3  GLU  18           HB1      GLU  18  49.809 -10.326 -10.922
  106    HG2  GLU  18           HG2      GLU  18  49.581 -11.467 -13.184
  107    HG3  GLU  18           HG1      GLU  18  47.834 -11.328 -12.983
  108    H    CYS  19           HN       CYS  19  51.076 -11.402 -12.140
  109    HA   CYS  19           HA       CYS  19  53.381 -11.398 -12.046
  110    HB2  CYS  19           HB2      CYS  19  52.708 -11.466  -9.416
  111    HB3  CYS  19           HB1      CYS  19  53.578 -12.993  -9.566
  112    HG   CYS  19           HG       CYS  19  54.850 -10.250 -10.385
  113    H    GLU  20           HN       GLU  20  51.775 -13.508 -13.252
  114    HA   GLU  20           HA       GLU  20  52.629 -16.098 -12.804
  115    HB2  GLU  20           HB2      GLU  20  51.673 -14.602 -15.195
  116    HB3  GLU  20           HB1      GLU  20  52.423 -16.175 -15.466
  117    HG2  GLU  20           HG2      GLU  20  50.858 -17.255 -13.976
  118    HG3  GLU  20           HG1      GLU  20  50.196 -15.702 -13.470
  119    H    TYR  21           HN       TYR  21  54.522 -13.450 -13.687
  120    HA   TYR  21           HA       TYR  21  56.439 -14.374 -15.427
  121    HB2  TYR  21           HB2      TYR  21  56.422 -12.448 -13.176
  122    HB3  TYR  21           HB1      TYR  21  58.008 -13.020 -13.694
  123    HD1  TYR  21           HD1      TYR  21  54.814 -11.570 -14.984
  124    HD2  TYR  21           HD2      TYR  21  59.015 -12.168 -15.650
  125    HE1  TYR  21           HE1      TYR  21  54.717 -10.062 -16.950
  126    HE2  TYR  21           HE2      TYR  21  58.919 -10.660 -17.615
  127    HH   TYR  21           HH       TYR  21  56.661  -8.525 -18.183
  128    H    THR  22           HN       THR  22  57.294 -14.263 -11.994
  129    HA   THR  22           HA       THR  22  57.820 -17.075 -11.785
  130    HB   THR  22           HB       THR  22  60.348 -15.536 -11.556
  131    HG1  THR  22           HG1      THR  22  60.413 -16.268 -13.978
  132   HG21  THR  22          HG21      THR  22  60.161 -17.957 -11.054
  133   HG22  THR  22          HG22      THR  22  61.262 -17.650 -12.397
  134   HG23  THR  22          HG23      THR  22  59.632 -18.246 -12.712
  135    H    ASP  23           HN       ASP  23  56.484 -14.887 -10.342
  136    HA   ASP  23           HA       ASP  23  57.794 -15.299  -7.737
  137    HB2  ASP  23           HB2      ASP  23  57.072 -12.692  -9.023
  138    HB3  ASP  23           HB1      ASP  23  56.949 -12.853  -7.272
  139    H    TRP  24           HN       TRP  24  55.262 -16.085  -9.421
  140    HA   TRP  24           HA       TRP  24  53.180 -15.298  -7.508
  141    HB2  TRP  24           HB2      TRP  24  51.605 -16.154  -9.115
  142    HB3  TRP  24           HB1      TRP  24  52.776 -15.164  -9.986
  143    HD1  TRP  24           HD1      TRP  24  54.878 -16.596 -11.123
  144    HE1  TRP  24           HE1      TRP  24  54.793 -18.888 -12.302
  145    HE3  TRP  24           HE3      TRP  24  50.459 -18.374  -9.282
  146    HZ2  TRP  24           HZ2      TRP  24  53.078 -21.172 -12.446
  147    HZ3  TRP  24           HZ3      TRP  24  49.624 -20.608  -9.957
  148    HH2  TRP  24           HH2      TRP  24  50.927 -22.007 -11.534
  149    H    LYS  25           HN       LYS  25  55.478 -17.554  -7.531
  150    HA   LYS  25           HA       LYS  25  53.848 -19.422  -5.973
  151    HB2  LYS  25           HB2      LYS  25  55.214 -21.295  -7.219
  152    HB3  LYS  25           HB1      LYS  25  53.726 -20.666  -7.923
  153    HG2  LYS  25           HG2      LYS  25  55.572 -20.785  -9.586
  154    HG3  LYS  25           HG1      LYS  25  55.007 -19.133  -9.340
  155    HD2  LYS  25           HD2      LYS  25  56.894 -18.565  -8.022
  156    HD3  LYS  25           HD1      LYS  25  57.332 -20.256  -7.775
  157    HE2  LYS  25           HE2      LYS  25  57.302 -18.982 -10.517
  158    HE3  LYS  25           HE1      LYS  25  58.734 -18.969  -9.487
  159    HZ1  LYS  25           HZ1      LYS  25  58.772 -21.329  -9.453
  160    HZ2  LYS  25           HZ2      LYS  25  58.618 -20.858 -11.078
  161    HZ3  LYS  25           HZ3      LYS  25  57.267 -21.438 -10.228
  162    H    SER  26           HN       SER  26  56.203 -17.405  -5.794
  163    HA   SER  26           HA       SER  26  57.788 -19.076  -3.979
  164    HB2  SER  26           HB2      SER  26  59.104 -19.180  -5.988
  165    HB3  SER  26           HB1      SER  26  58.932 -17.447  -6.255
  166    HG   SER  26           HG       SER  26  59.925 -17.394  -3.995
  167    H    SER  27           HN       SER  27  59.016 -16.030  -5.024
  168    HA   SER  27           HA       SER  27  58.784 -14.919  -2.392
  169    HB2  SER  27           HB2      SER  27  59.759 -13.838  -5.032
  170    HB3  SER  27           HB1      SER  27  59.680 -12.837  -3.585
  171    HG   SER  27           HG       SER  27  61.091 -14.230  -2.574
  172    H    GLY  28           HN       GLY  28  56.233 -15.555  -3.247
  173    HA2  GLY  28           HA2      GLY  28  54.847 -13.118  -2.817
  174    HA3  GLY  28           HA1      GLY  28  54.751 -13.566  -4.518
  175    H    ALA  29           HN       ALA  29  54.858 -15.759  -1.746
  176    HA   ALA  29           HA       ALA  29  52.033 -16.460  -2.192
  177    HB1  ALA  29           HB1      ALA  29  54.408 -18.299  -2.354
  178    HB2  ALA  29           HB2      ALA  29  53.040 -18.158  -3.459
  179    HB3  ALA  29           HB3      ALA  29  52.823 -18.910  -1.879
  180    H    LEU  30           HN       LEU  30  54.464 -15.618  -0.101
  181    HA   LEU  30           HA       LEU  30  52.906 -16.585   2.203
  182    HB2  LEU  30           HB2      LEU  30  55.239 -16.867   3.335
  183    HB3  LEU  30           HB1      LEU  30  54.637 -18.150   2.284
  184    HG   LEU  30           HG       LEU  30  56.160 -15.985   0.942
  185   HD11  LEU  30          HD11      LEU  30  57.488 -18.039   2.737
  186   HD12  LEU  30          HD12      LEU  30  57.490 -16.292   2.986
  187   HD13  LEU  30          HD13      LEU  30  58.329 -16.987   1.600
  188   HD21  LEU  30          HD21      LEU  30  55.167 -18.205  -0.003
  189   HD22  LEU  30          HD22      LEU  30  56.567 -18.966   0.753
  190   HD23  LEU  30          HD23      LEU  30  56.796 -17.739  -0.494
  191    H    ILE  31           HN       ILE  31  54.739 -14.162   0.628
  192    HA   ILE  31           HA       ILE  31  55.187 -12.540   2.979
  193    HB   ILE  31           HB       ILE  31  55.329 -11.448   0.195
  194   HG12  ILE  31          HG12      ILE  31  56.368 -13.659   0.003
  195   HG13  ILE  31          HG11      ILE  31  57.616 -12.416   0.002
  196   HG21  ILE  31          HG21      ILE  31  57.249 -10.258   1.162
  197   HG22  ILE  31          HG22      ILE  31  57.049 -11.146   2.671
  198   HG23  ILE  31          HG23      ILE  31  55.805 -10.012   2.145
  199   HD11  ILE  31          HD11      ILE  31  58.312 -14.225   1.473
  200   HD12  ILE  31          HD12      ILE  31  56.793 -14.138   2.361
  201   HD13  ILE  31          HD13      ILE  31  57.947 -12.809   2.456
  202    HA   PRO  32           HA       PRO  32  51.479 -10.154   1.243
  203    HB2  PRO  32           HB2      PRO  32  49.912 -11.287  -0.663
  204    HB3  PRO  32           HB1      PRO  32  51.397 -10.398  -1.049
  205    HG2  PRO  32           HG2      PRO  32  50.866 -13.285  -1.127
  206    HG3  PRO  32           HG1      PRO  32  52.071 -12.331  -2.002
  207    HD2  PRO  32           HD2      PRO  32  52.477 -13.924   0.348
  208    HD3  PRO  32           HD1      PRO  32  53.669 -12.911  -0.491
  209    H    ALA  33           HN       ALA  33  51.538 -13.096   2.607
  210    HA   ALA  33           HA       ALA  33  48.641 -13.305   3.082
  211    HB1  ALA  33           HB1      ALA  33  50.273 -15.317   4.393
  212    HB2  ALA  33           HB2      ALA  33  50.618 -15.233   2.665
  213    HB3  ALA  33           HB3      ALA  33  48.970 -15.521   3.223
  214    H    ILE  34           HN       ILE  34  51.202 -11.719   4.366
  215    HA   ILE  34           HA       ILE  34  49.964 -11.685   7.038
  216    HB   ILE  34           HB       ILE  34  52.791 -11.318   7.311
  217   HG12  ILE  34          HG12      ILE  34  51.947 -13.909   5.969
  218   HG13  ILE  34          HG11      ILE  34  52.966 -12.665   5.243
  219   HG21  ILE  34          HG21      ILE  34  51.124 -12.045   9.037
  220   HG22  ILE  34          HG22      ILE  34  52.527 -13.107   8.941
  221   HG23  ILE  34          HG23      ILE  34  50.999 -13.595   8.207
  222   HD11  ILE  34          HD11      ILE  34  54.411 -14.399   6.123
  223   HD12  ILE  34          HD12      ILE  34  53.604 -14.336   7.690
  224   HD13  ILE  34          HD13      ILE  34  54.581 -12.973   7.145
  225    H    TYR  35           HN       TYR  35  52.023 -10.137   4.634
  226    HA   TYR  35           HA       TYR  35  52.095  -7.618   6.067
  227    HB2  TYR  35           HB2      TYR  35  53.099  -8.543   3.381
  228    HB3  TYR  35           HB1      TYR  35  53.140  -6.843   3.848
  229    HD1  TYR  35           HD1      TYR  35  54.179 -10.250   4.985
  230    HD2  TYR  35           HD2      TYR  35  54.871  -6.017   5.215
  231    HE1  TYR  35           HE1      TYR  35  56.243 -10.658   6.300
  232    HE2  TYR  35           HE2      TYR  35  56.934  -6.425   6.529
  233    HH   TYR  35           HH       TYR  35  58.247  -7.943   7.462
  234    H    MET  36           HN       MET  36  49.475  -8.732   5.358
  235    HA   MET  36           HA       MET  36  48.470  -6.434   3.805
  236    HB2  MET  36           HB2      MET  36  47.542  -9.300   3.501
  237    HB3  MET  36           HB1      MET  36  46.855  -7.899   2.680
  238    HG2  MET  36           HG2      MET  36  49.751  -8.761   2.437
  239    HG3  MET  36           HG1      MET  36  48.495  -9.165   1.267
  240    HE1  MET  36           HE1      MET  36  51.399  -7.119   1.533
  241    HE2  MET  36           HE2      MET  36  51.054  -6.268   0.029
  242    HE3  MET  36           HE3      MET  36  50.824  -8.012   0.117
  243    H    LEU  37           HN       LEU  37  47.229  -9.271   5.590
  244    HA   LEU  37           HA       LEU  37  44.984  -7.827   6.623
  245    HB2  LEU  37           HB2      LEU  37  46.093 -10.402   7.739
  246    HB3  LEU  37           HB1      LEU  37  44.423  -9.833   7.758
  247    HG   LEU  37           HG       LEU  37  46.020 -10.682   5.325
  248   HD11  LEU  37          HD11      LEU  37  45.171 -12.572   6.579
  249   HD12  LEU  37          HD12      LEU  37  44.149 -12.358   5.157
  250   HD13  LEU  37          HD13      LEU  37  43.587 -11.812   6.738
  251   HD21  LEU  37          HD21      LEU  37  43.664 -10.321   4.256
  252   HD22  LEU  37          HD22      LEU  37  44.692  -8.914   4.522
  253   HD23  LEU  37          HD23      LEU  37  43.376  -9.269   5.642
  254    H    VAL  38           HN       VAL  38  47.972  -7.117   7.232
  255    HA   VAL  38           HA       VAL  38  47.472  -6.511  10.072
  256    HB   VAL  38           HB       VAL  38  50.197  -7.353   9.098
  257   HG11  VAL  38          HG11      VAL  38  50.800  -7.190  11.297
  258   HG12  VAL  38          HG12      VAL  38  49.242  -7.785  11.871
  259   HG13  VAL  38          HG13      VAL  38  49.415  -6.101  11.381
  260   HG21  VAL  38          HG21      VAL  38  48.698  -9.243   8.687
  261   HG22  VAL  38          HG22      VAL  38  48.007  -9.077  10.301
  262   HG23  VAL  38          HG23      VAL  38  49.686  -9.580  10.110
  263    H    PHE  39           HN       PHE  39  48.994  -5.747   7.026
  264    HA   PHE  39           HA       PHE  39  50.347  -3.388   7.948
  265    HB2  PHE  39           HB2      PHE  39  50.845  -4.835   5.852
  266    HB3  PHE  39           HB1      PHE  39  49.566  -3.889   5.088
  267    HD1  PHE  39           HD1      PHE  39  52.798  -3.601   6.928
  268    HD2  PHE  39           HD2      PHE  39  49.961  -1.674   4.343
  269    HE1  PHE  39           HE1      PHE  39  54.389  -1.731   6.577
  270    HE2  PHE  39           HE2      PHE  39  51.552   0.196   3.991
  271    HZ   PHE  39           HZ       PHE  39  53.766   0.168   5.107
  272    H    LEU  40           HN       LEU  40  47.433  -3.648   8.513
  273    HA   LEU  40           HA       LEU  40  46.695  -0.952   8.049
  274    HB2  LEU  40           HB2      LEU  40  44.768  -1.351   6.539
  275    HB3  LEU  40           HB1      LEU  40  46.312  -1.686   5.757
  276    HG   LEU  40           HG       LEU  40  45.596  -4.106   6.973
  277   HD11  LEU  40          HD11      LEU  40  43.300  -3.054   7.212
  278   HD12  LEU  40          HD12      LEU  40  43.336  -4.548   6.274
  279   HD13  LEU  40          HD13      LEU  40  43.226  -2.991   5.451
  280   HD21  LEU  40          HD21      LEU  40  46.720  -3.962   4.842
  281   HD22  LEU  40          HD22      LEU  40  45.366  -3.086   4.127
  282   HD23  LEU  40          HD23      LEU  40  45.184  -4.784   4.565
  283    H    LEU  41           HN       LEU  41  46.667  -3.507   9.859
  284    HA   LEU  41           HA       LEU  41  44.029  -2.917  11.054
  285    HB2  LEU  41           HB2      LEU  41  45.318  -5.639  10.740
  286    HB3  LEU  41           HB1      LEU  41  43.869  -5.321  11.690
  287    HG   LEU  41           HG       LEU  41  44.151  -4.733   8.726
  288   HD11  LEU  41          HD11      LEU  41  42.210  -6.689   9.082
  289   HD12  LEU  41          HD12      LEU  41  43.489  -7.172  10.197
  290   HD13  LEU  41          HD13      LEU  41  43.846  -6.958   8.483
  291   HD21  LEU  41          HD21      LEU  41  42.005  -4.309  10.772
  292   HD22  LEU  41          HD22      LEU  41  41.510  -4.799   9.152
  293   HD23  LEU  41          HD23      LEU  41  42.439  -3.319   9.380
  294    H    GLY  42           HN       GLY  42  47.222  -4.398  11.598
  295    HA2  GLY  42           HA2      GLY  42  47.026  -3.693  14.452
  296    HA3  GLY  42           HA1      GLY  42  48.160  -4.846  13.756
  297    H    THR  43           HN       THR  43  47.392  -1.549  12.688
  298    HA   THR  43           HA       THR  43  49.846  -0.444  13.722
  299    HB   THR  43           HB       THR  43  50.465  -1.800  11.608
  300    HG1  THR  43           HG1      THR  43  51.094   0.799  12.323
  301   HG21  THR  43          HG21      THR  43  49.920  -0.896   9.504
  302   HG22  THR  43          HG22      THR  43  49.418   0.646  10.196
  303   HG23  THR  43          HG23      THR  43  48.406  -0.785  10.401
  304    H    THR  44           HN       THR  44  46.928  -0.219  11.838
  305    HA   THR  44           HA       THR  44  47.031   2.591  11.349
  306    HB   THR  44           HB       THR  44  45.608   1.305   9.938
  307    HG1  THR  44           HG1      THR  44  43.824   2.490  11.776
  308   HG21  THR  44          HG21      THR  44  43.646   0.052  10.973
  309   HG22  THR  44          HG22      THR  44  44.442   0.275  12.531
  310   HG23  THR  44          HG23      THR  44  45.237  -0.653  11.259
  311    H    GLY  45           HN       GLY  45  47.688   2.086  14.040
  312    HA2  GLY  45           HA2      GLY  45  47.287   3.217  16.031
  313    HA3  GLY  45           HA1      GLY  45  45.783   3.828  15.347
  314    H    ASN  46           HN       ASN  46  46.550   0.424  15.316
  315    HA   ASN  46           HA       ASN  46  44.699  -0.051  17.565
  316    HB2  ASN  46           HB2      ASN  46  44.513  -1.096  14.759
  317    HB3  ASN  46           HB1      ASN  46  43.915  -2.071  16.100
  318   HD21  ASN  46          HD21      ASN  46  43.723   1.395  15.073
  319   HD22  ASN  46          HD22      ASN  46  42.069   1.548  15.422
  320    H    GLY  47           HN       GLY  47  47.706  -0.464  16.366
  321    HA2  GLY  47           HA2      GLY  47  48.045  -3.193  17.442
  322    HA3  GLY  47           HA1      GLY  47  49.167  -2.380  16.355
  323    H    LEU  48           HN       LEU  48  49.288   0.119  17.666
  324    HA   LEU  48           HA       LEU  48  50.895  -0.637  20.008
  325    HB2  LEU  48           HB2      LEU  48  50.974   2.162  19.103
  326    HB3  LEU  48           HB1      LEU  48  52.298   1.057  19.471
  327    HG   LEU  48           HG       LEU  48  50.657   1.103  16.918
  328   HD11  LEU  48          HD11      LEU  48  52.663   1.876  15.860
  329   HD12  LEU  48          HD12      LEU  48  53.619   1.587  17.313
  330   HD13  LEU  48          HD13      LEU  48  52.433   2.891  17.284
  331   HD21  LEU  48          HD21      LEU  48  52.313  -0.961  18.168
  332   HD22  LEU  48          HD22      LEU  48  52.902  -0.515  16.567
  333   HD23  LEU  48          HD23      LEU  48  51.245  -1.081  16.769
  334    H    VAL  49           HN       VAL  49  47.878  -0.276  19.853
  335    HA   VAL  49           HA       VAL  49  47.685   1.525  22.177
  336    HB   VAL  49           HB       VAL  49  45.836   1.522  19.780
  337   HG11  VAL  49          HG11      VAL  49  44.866   3.507  21.197
  338   HG12  VAL  49          HG12      VAL  49  45.614   2.664  22.553
  339   HG13  VAL  49          HG13      VAL  49  44.383   1.856  21.583
  340   HG21  VAL  49          HG21      VAL  49  47.681   3.617  20.974
  341   HG22  VAL  49          HG22      VAL  49  46.540   3.916  19.663
  342   HG23  VAL  49          HG23      VAL  49  47.888   2.806  19.422
  343    H    LEU  50           HN       LEU  50  46.250  -1.065  20.246
  344    HA   LEU  50           HA       LEU  50  44.597  -1.864  22.549
  345    HB2  LEU  50           HB2      LEU  50  43.441  -1.630  20.387
  346    HB3  LEU  50           HB1      LEU  50  44.533  -2.818  19.675
  347    HG   LEU  50           HG       LEU  50  43.370  -3.825  22.137
  348   HD11  LEU  50          HD11      LEU  50  41.053  -4.085  21.166
  349   HD12  LEU  50          HD12      LEU  50  41.500  -2.897  19.941
  350   HD13  LEU  50          HD13      LEU  50  41.458  -2.436  21.642
  351   HD21  LEU  50          HD21      LEU  50  43.206  -4.708  19.237
  352   HD22  LEU  50          HD22      LEU  50  42.778  -5.698  20.631
  353   HD23  LEU  50          HD23      LEU  50  44.450  -5.193  20.390
  354    H    TRP  51           HN       TRP  51  46.382  -3.602  19.990
  355    HA   TRP  51           HA       TRP  51  46.721  -6.004  21.305
  356    HB2  TRP  51           HB2      TRP  51  47.352  -5.927  19.029
  357    HB3  TRP  51           HB1      TRP  51  48.456  -4.577  19.295
  358    HD1  TRP  51           HD1      TRP  51  50.895  -5.141  19.826
  359    HE1  TRP  51           HE1      TRP  51  52.200  -7.309  20.321
  360    HE3  TRP  51           HE3      TRP  51  47.014  -8.437  20.221
  361    HZ2  TRP  51           HZ2      TRP  51  51.668 -10.074  20.818
  362    HZ3  TRP  51           HZ3      TRP  51  47.442 -10.830  20.705
  363    HH2  TRP  51           HH2      TRP  51  49.761 -11.651  21.004
  364    H    THR  52           HN       THR  52  48.396  -2.986  21.794
  365    HA   THR  52           HA       THR  52  50.643  -3.989  23.209
  366    HB   THR  52           HB       THR  52  50.426  -1.676  22.237
  367    HG1  THR  52           HG1      THR  52  51.957  -2.300  23.895
  368   HG21  THR  52          HG21      THR  52  49.082  -0.052  23.234
  369   HG22  THR  52          HG22      THR  52  48.986  -0.926  24.762
  370   HG23  THR  52          HG23      THR  52  48.061  -1.483  23.367
  371    H    VAL  53           HN       VAL  53  47.347  -3.272  24.124
  372    HA   VAL  53           HA       VAL  53  47.706  -3.150  26.929
  373    HB   VAL  53           HB       VAL  53  45.264  -4.116  25.424
  374   HG11  VAL  53          HG11      VAL  53  45.171  -4.535  27.830
  375   HG12  VAL  53          HG12      VAL  53  44.097  -3.196  27.429
  376   HG13  VAL  53          HG13      VAL  53  45.667  -2.876  28.163
  377   HG21  VAL  53          HG21      VAL  53  46.200  -1.323  26.150
  378   HG22  VAL  53          HG22      VAL  53  44.568  -1.705  25.603
  379   HG23  VAL  53          HG23      VAL  53  45.940  -1.962  24.528
  380    H    PHE  54           HN       PHE  54  47.710  -5.774  24.688
  381    HA   PHE  54           HA       PHE  54  47.378  -7.747  26.845
  382    HB2  PHE  54           HB2      PHE  54  46.711  -7.687  24.044
  383    HB3  PHE  54           HB1      PHE  54  47.775  -9.054  24.378
  384    HD1  PHE  54           HD2      PHE  54  44.706  -7.333  25.657
  385    HD2  PHE  54           HD1      PHE  54  46.917 -11.004  25.367
  386    HE1  PHE  54           HE2      PHE  54  42.814  -8.554  26.694
  387    HE2  PHE  54           HE1      PHE  54  45.024 -12.226  26.404
  388    HZ   PHE  54           HZ       PHE  54  42.972 -11.000  27.067
  389    H    ARG  55           HN       ARG  55  49.804  -6.007  25.478
  390    HA   ARG  55           HA       ARG  55  51.764  -8.202  25.523
  391    HB2  ARG  55           HB2      ARG  55  51.836  -6.772  23.547
  392    HB3  ARG  55           HB1      ARG  55  52.008  -5.340  24.564
  393    HG2  ARG  55           HG2      ARG  55  54.221  -5.696  24.871
  394    HG3  ARG  55           HG1      ARG  55  53.982  -7.416  25.181
  395    HD2  ARG  55           HD2      ARG  55  53.816  -6.234  22.405
  396    HD3  ARG  55           HD1      ARG  55  55.326  -6.829  23.087
  397    HE   ARG  55           HE       ARG  55  53.244  -8.780  23.306
  398   HH11  ARG  55          HH21      ARG  55  55.485  -7.283  21.135
  399   HH12  ARG  55          HH22      ARG  55  55.591  -8.654  20.081
  400   HH21  ARG  55          HH11      ARG  55  53.379 -10.582  21.929
  401   HH22  ARG  55          HH12      ARG  55  54.400 -10.521  20.531
  402    H    LYS  56           HN       LYS  56  51.054  -5.051  26.978
  403    HA   LYS  56           HA       LYS  56  53.347  -4.880  28.617
  404    HB2  LYS  56           HB2      LYS  56  51.958  -3.293  29.969
  405    HB3  LYS  56           HB1      LYS  56  51.971  -2.929  28.243
  406    HG2  LYS  56           HG2      LYS  56  49.732  -3.109  28.182
  407    HG3  LYS  56           HG1      LYS  56  49.850  -4.780  28.736
  408    HD2  LYS  56           HD2      LYS  56  49.872  -4.052  31.063
  409    HD3  LYS  56           HD1      LYS  56  49.885  -2.361  30.564
  410    HE2  LYS  56           HE2      LYS  56  47.693  -2.742  29.409
  411    HE3  LYS  56           HE1      LYS  56  47.668  -4.371  30.083
  412    HZ1  LYS  56           HZ1      LYS  56  46.872  -1.988  31.303
  413    HZ2  LYS  56           HZ2      LYS  56  48.232  -2.562  32.145
  414    HZ3  LYS  56           HZ3      LYS  56  46.864  -3.552  31.957
  415    H    LYS  57           HN       LYS  57  50.454  -6.758  28.859
  416    HA   LYS  57           HA       LYS  57  50.362  -7.196  31.641
  417    HB2  LYS  57           HB2      LYS  57  49.556  -9.053  29.388
  418    HB3  LYS  57           HB1      LYS  57  49.073  -9.219  31.076
  419    HG2  LYS  57           HG2      LYS  57  48.575  -6.544  29.952
  420    HG3  LYS  57           HG1      LYS  57  47.649  -7.831  29.179
  421    HD2  LYS  57           HD2      LYS  57  46.817  -8.577  31.362
  422    HD3  LYS  57           HD1      LYS  57  47.781  -7.339  32.168
  423    HE2  LYS  57           HE2      LYS  57  46.077  -6.276  30.027
  424    HE3  LYS  57           HE1      LYS  57  45.167  -7.020  31.342
  425    HZ1  LYS  57           HZ1      LYS  57  45.827  -4.564  31.540
  426    HZ2  LYS  57           HZ2      LYS  57  47.378  -5.151  31.908
  427    HZ3  LYS  57           HZ3      LYS  57  46.053  -5.568  32.888
  428    H    GLY  58           HN       GLY  58  52.246  -8.699  29.074
  429    HA2  GLY  58           HA2      GLY  58  54.478  -9.428  30.323
  430    HA3  GLY  58           HA1      GLY  58  53.378 -10.675  30.903
  431    H    HIS  59           HN       HIS  59  55.296  -9.567  28.273
  432    HA   HIS  59           HA       HIS  59  54.290 -10.806  26.044
  433    HB2  HIS  59           HB2      HIS  59  56.276 -10.233  25.171
  434    HB3  HIS  59           HB1      HIS  59  56.747  -9.693  26.784
  435    HD2  HIS  59           HD2      HIS  59  58.839 -11.153  27.859
  436    HE1  HIS  59           HE1      HIS  59  58.631 -14.476  25.263
  437    HE2  HIS  59           HE2      HIS  59  59.939 -13.417  27.165
  438    H    HIS  60           HN       HIS  60  55.562 -12.290  28.902
  439    HA   HIS  60           HA       HIS  60  56.054 -14.874  27.738
  440    HB2  HIS  60           HB2      HIS  60  56.079 -15.580  30.192
  441    HB3  HIS  60           HB1      HIS  60  57.277 -14.378  29.714
  442    HD2  HIS  60           HD2      HIS  60  53.515 -13.937  31.002
  443    HE1  HIS  60           HE1      HIS  60  56.031 -11.224  33.034
  444    HE2  HIS  60           HE2      HIS  60  53.635 -12.026  32.776
  445    H    HIS  61           HN       HIS  61  53.319 -13.431  27.614
  446    HA   HIS  61           HA       HIS  61  51.100 -14.028  27.624
  447    HB2  HIS  61           HB2      HIS  61  51.670 -16.916  27.900
  448    HB3  HIS  61           HB1      HIS  61  50.701 -16.065  26.697
  449    HD2  HIS  61           HD2      HIS  61  54.331 -17.395  27.137
  450    HE1  HIS  61           HE1      HIS  61  54.178 -15.354  23.445
  451    HE2  HIS  61           HE2      HIS  61  55.595 -16.864  24.915
  452    H    HIS  62           HN       HIS  62  50.171 -13.385  29.485
  453    HA   HIS  62           HA       HIS  62  50.728 -14.737  31.995
  454    HB2  HIS  62           HB2      HIS  62  50.362 -12.234  31.754
  455    HB3  HIS  62           HB1      HIS  62  48.657 -12.599  31.484
  456    HD2  HIS  62           HD2      HIS  62  49.422 -15.176  33.962
  457    HE1  HIS  62           HE1      HIS  62  48.839 -11.747  36.356
  458    HE2  HIS  62           HE2      HIS  62  49.005 -14.281  36.380
  459    H    HIS  63           HN       HIS  63  49.696 -16.578  30.279
  460    HA   HIS  63           HA       HIS  63  47.157 -17.225  31.580
  461    HB2  HIS  63           HB2      HIS  63  46.798 -16.006  29.312
  462    HB3  HIS  63           HB1      HIS  63  47.340 -17.524  28.596
  463    HD2  HIS  63           HD2      HIS  63  45.644 -19.042  31.369
  464    HE1  HIS  63           HE1      HIS  63  42.383 -17.957  28.916
  465    HE2  HIS  63           HE2      HIS  63  43.102 -19.394  30.883
  466    H    HIS  64           HN       HIS  64  48.178 -18.923  32.628
  467    HA   HIS  64           HA       HIS  64  49.511 -20.960  30.985
  468    HB2  HIS  64           HB2      HIS  64  50.219 -19.947  33.391
  469    HB3  HIS  64           HB1      HIS  64  49.266 -21.337  33.912
  470    HD2  HIS  64           HD2      HIS  64  52.016 -21.002  31.026
  471    HE1  HIS  64           HE1      HIS  64  52.773 -24.477  33.299
  472    HE2  HIS  64           HE2      HIS  64  53.555 -23.090  31.322
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  64.078 -37.884 -48.173
    2    H2   MET   1           HT2      MET   1  64.610 -37.097 -46.765
    3    H3   MET   1           HT3      MET   1  64.474 -36.235 -48.222
    4    HA   MET   1           HA       MET   1  61.990 -37.048 -48.055
    5    HB2  MET   1           HB2      MET   1  62.990 -38.032 -45.701
    6    HB3  MET   1           HB1      MET   1  62.354 -36.470 -45.183
    7    HG2  MET   1           HG2      MET   1  60.212 -37.071 -46.426
    8    HG3  MET   1           HG1      MET   1  60.861 -38.705 -46.570
    9    HE1  MET   1           HE1      MET   1  58.493 -38.859 -45.689
   10    HE2  MET   1           HE2      MET   1  58.145 -39.128 -43.982
   11    HE3  MET   1           HE3      MET   1  59.220 -40.230 -44.838
   12    H    GLU   2           HN       GLU   2  60.597 -35.297 -46.667
   13    HA   GLU   2           HA       GLU   2  61.989 -32.704 -46.778
   14    HB2  GLU   2           HB2      GLU   2  59.317 -33.269 -48.087
   15    HB3  GLU   2           HB1      GLU   2  60.133 -31.706 -48.020
   16    HG2  GLU   2           HG2      GLU   2  60.835 -32.435 -50.102
   17    HG3  GLU   2           HG1      GLU   2  62.131 -33.079 -49.096
   18    H    GLU   3           HN       GLU   3  61.636 -33.741 -44.403
   19    HA   GLU   3           HA       GLU   3  59.031 -33.153 -43.282
   20    HB2  GLU   3           HB2      GLU   3  60.746 -34.960 -42.520
   21    HB3  GLU   3           HB1      GLU   3  61.510 -33.627 -41.653
   22    HG2  GLU   3           HG2      GLU   3  59.107 -33.132 -40.776
   23    HG3  GLU   3           HG1      GLU   3  58.755 -34.783 -41.281
   24    H    GLY   4           HN       GLY   4  62.228 -31.663 -43.374
   25    HA2  GLY   4           HA2      GLY   4  61.039 -29.124 -42.528
   26    HA3  GLY   4           HA1      GLY   4  62.351 -29.760 -41.541
   27    H    GLY   5           HN       GLY   5  61.602 -29.172 -44.983
   28    HA2  GLY   5           HA2      GLY   5  64.169 -29.107 -46.005
   29    HA3  GLY   5           HA1      GLY   5  62.835 -28.149 -46.641
   30    H    ASP   6           HN       ASP   6  65.600 -28.164 -44.497
   31    HA   ASP   6           HA       ASP   6  66.959 -26.431 -43.813
   32    HB2  ASP   6           HB2      ASP   6  66.045 -25.481 -46.132
   33    HB3  ASP   6           HB1      ASP   6  65.229 -24.348 -45.055
   34    H    PHE   7           HN       PHE   7  64.773 -27.404 -42.251
   35    HA   PHE   7           HA       PHE   7  64.434 -25.097 -40.482
   36    HB2  PHE   7           HB2      PHE   7  62.134 -26.721 -41.591
   37    HB3  PHE   7           HB1      PHE   7  62.001 -25.657 -40.190
   38    HD1  PHE   7           HD1      PHE   7  62.781 -23.197 -40.500
   39    HD2  PHE   7           HD2      PHE   7  61.882 -25.849 -43.757
   40    HE1  PHE   7           HE1      PHE   7  62.488 -21.249 -42.005
   41    HE2  PHE   7           HE2      PHE   7  61.589 -23.901 -45.263
   42    HZ   PHE   7           HZ       PHE   7  61.892 -21.600 -44.387
   43    H    ASP   8           HN       ASP   8  66.112 -27.321 -40.210
   44    HA   ASP   8           HA       ASP   8  64.810 -28.789 -37.992
   45    HB2  ASP   8           HB2      ASP   8  66.006 -30.744 -38.552
   46    HB3  ASP   8           HB1      ASP   8  65.423 -30.126 -40.097
   47    H    ASN   9           HN       ASN   9  66.064 -26.305 -37.628
   48    HA   ASN   9           HA       ASN   9  68.330 -27.125 -35.938
   49    HB2  ASN   9           HB2      ASN   9  69.202 -26.169 -38.082
   50    HB3  ASN   9           HB1      ASN   9  68.369 -24.665 -37.698
   51   HD21  ASN   9          HD21      ASN   9  70.888 -24.055 -37.841
   52   HD22  ASN   9          HD22      ASN   9  71.702 -24.068 -36.352
   53    H    TYR  10           HN       TYR  10  68.296 -23.855 -36.071
   54    HA   TYR  10           HA       TYR  10  67.499 -23.368 -33.488
   55    HB2  TYR  10           HB2      TYR  10  68.285 -21.385 -34.193
   56    HB3  TYR  10           HB1      TYR  10  67.940 -21.771 -35.880
   57    HD1  TYR  10           HD1      TYR  10  65.653 -21.379 -36.812
   58    HD2  TYR  10           HD2      TYR  10  66.770 -20.070 -32.876
   59    HE1  TYR  10           HE1      TYR  10  63.691 -19.863 -36.759
   60    HE2  TYR  10           HE2      TYR  10  64.808 -18.555 -32.824
   61    HH   TYR  10           HH       TYR  10  63.229 -17.506 -35.309
   62    H    TYR  11           HN       TYR  11  65.520 -24.166 -36.175
   63    HA   TYR  11           HA       TYR  11  63.082 -22.992 -35.223
   64    HB2  TYR  11           HB2      TYR  11  63.630 -25.172 -37.248
   65    HB3  TYR  11           HB1      TYR  11  62.028 -24.510 -36.922
   66    HD1  TYR  11           HD2      TYR  11  61.472 -22.192 -37.506
   67    HD2  TYR  11           HD1      TYR  11  65.340 -23.847 -38.372
   68    HE1  TYR  11           HE2      TYR  11  61.945 -20.291 -39.027
   69    HE2  TYR  11           HE1      TYR  11  65.813 -21.947 -39.893
   70    HH   TYR  11           HH       TYR  11  64.919 -20.180 -40.959
   71    H    GLY  12           HN       GLY  12  63.921 -24.063 -32.992
   72    HA2  GLY  12           HA2      GLY  12  61.960 -26.103 -32.407
   73    HA3  GLY  12           HA1      GLY  12  63.623 -26.671 -32.284
   74    H    ALA  13           HN       ALA  13  65.083 -25.069 -31.009
   75    HA   ALA  13           HA       ALA  13  63.929 -23.426 -29.002
   76    HB1  ALA  13           HB1      ALA  13  63.096 -25.382 -27.949
   77    HB2  ALA  13           HB2      ALA  13  64.565 -24.969 -27.065
   78    HB3  ALA  13           HB3      ALA  13  64.587 -26.274 -28.252
   79    H    ASP  14           HN       ASP  14  65.676 -22.184 -29.919
   80    HA   ASP  14           HA       ASP  14  68.382 -23.065 -29.160
   81    HB2  ASP  14           HB2      ASP  14  67.584 -22.079 -31.515
   82    HB3  ASP  14           HB1      ASP  14  67.936 -20.557 -30.697
   83    H    ASN  15           HN       ASN  15  66.407 -22.097 -27.217
   84    HA   ASN  15           HA       ASN  15  66.312 -20.700 -25.396
   85    HB2  ASN  15           HB2      ASN  15  69.147 -19.893 -26.016
   86    HB3  ASN  15           HB1      ASN  15  68.360 -20.025 -24.444
   87   HD21  ASN  15          HD21      ASN  15  70.836 -21.436 -25.464
   88   HD22  ASN  15          HD22      ASN  15  70.502 -23.090 -25.281
   89    H    GLN  16           HN       GLN  16  64.821 -19.390 -26.695
   90    HA   GLN  16           HA       GLN  16  65.900 -16.970 -27.908
   91    HB2  GLN  16           HB2      GLN  16  63.111 -18.090 -27.618
   92    HB3  GLN  16           HB1      GLN  16  63.428 -16.491 -28.292
   93    HG2  GLN  16           HG2      GLN  16  63.280 -18.105 -30.111
   94    HG3  GLN  16           HG1      GLN  16  64.945 -17.542 -29.972
   95   HE21  GLN  16          HE21      GLN  16  66.491 -19.178 -29.887
   96   HE22  GLN  16          HE22      GLN  16  66.180 -20.785 -29.439
   97    H    SER  17           HN       SER  17  66.741 -16.731 -25.464
   98    HA   SER  17           HA       SER  17  66.781 -15.122 -23.797
   99    HB2  SER  17           HB2      SER  17  65.384 -13.304 -23.893
  100    HB3  SER  17           HB1      SER  17  65.144 -13.913 -25.528
  101    HG   SER  17           HG       SER  17  63.124 -13.838 -24.837
  102    H    GLU  18           HN       GLU  18  64.299 -17.442 -24.266
  103    HA   GLU  18           HA       GLU  18  62.869 -18.538 -22.814
  104    HB2  GLU  18           HB2      GLU  18  65.564 -18.885 -22.128
  105    HB3  GLU  18           HB1      GLU  18  64.727 -18.621 -20.597
  106    HG2  GLU  18           HG2      GLU  18  64.645 -20.985 -21.055
  107    HG3  GLU  18           HG1      GLU  18  63.028 -20.342 -21.332
  108    H    CYS  19           HN       CYS  19  62.700 -18.590 -20.051
  109    HA   CYS  19           HA       CYS  19  61.945 -17.430 -18.200
  110    HB2  CYS  19           HB2      CYS  19  63.738 -15.685 -19.180
  111    HB3  CYS  19           HB1      CYS  19  62.263 -14.757 -19.453
  112    HG   CYS  19           HG       CYS  19  63.471 -15.426 -16.713
  113    H    GLU  20           HN       GLU  20  60.640 -17.610 -21.154
  114    HA   GLU  20           HA       GLU  20  58.303 -15.918 -20.588
  115    HB2  GLU  20           HB2      GLU  20  59.545 -16.053 -22.879
  116    HB3  GLU  20           HB1      GLU  20  58.651 -17.560 -23.078
  117    HG2  GLU  20           HG2      GLU  20  56.634 -15.988 -22.249
  118    HG3  GLU  20           HG1      GLU  20  57.649 -14.757 -23.000
  119    H    TYR  21           HN       TYR  21  59.054 -18.567 -19.276
  120    HA   TYR  21           HA       TYR  21  56.951 -20.370 -20.143
  121    HB2  TYR  21           HB2      TYR  21  59.374 -20.671 -18.786
  122    HB3  TYR  21           HB1      TYR  21  58.139 -21.007 -17.573
  123    HD1  TYR  21           HD2      TYR  21  59.148 -21.840 -21.077
  124    HD2  TYR  21           HD1      TYR  21  57.000 -23.068 -17.566
  125    HE1  TYR  21           HE2      TYR  21  58.745 -24.063 -22.101
  126    HE2  TYR  21           HE1      TYR  21  56.596 -25.291 -18.590
  127    HH   TYR  21           HH       TYR  21  56.577 -26.384 -20.660
  128    H    THR  22           HN       THR  22  56.393 -17.625 -18.988
  129    HA   THR  22           HA       THR  22  54.777 -16.665 -17.666
  130    HB   THR  22           HB       THR  22  52.815 -17.864 -17.320
  131    HG1  THR  22           HG1      THR  22  54.553 -19.728 -16.436
  132   HG21  THR  22          HG21      THR  22  52.433 -18.907 -19.340
  133   HG22  THR  22          HG22      THR  22  53.936 -19.826 -19.268
  134   HG23  THR  22          HG23      THR  22  53.967 -18.121 -19.713
  135    H    ASP  23           HN       ASP  23  57.257 -17.228 -16.485
  136    HA   ASP  23           HA       ASP  23  56.419 -17.583 -13.684
  137    HB2  ASP  23           HB2      ASP  23  57.767 -19.564 -15.006
  138    HB3  ASP  23           HB1      ASP  23  59.092 -18.642 -14.300
  139    H    TRP  24           HN       TRP  24  57.503 -15.483 -15.797
  140    HA   TRP  24           HA       TRP  24  59.722 -14.413 -14.193
  141    HB2  TRP  24           HB2      TRP  24  60.149 -12.942 -16.073
  142    HB3  TRP  24           HB1      TRP  24  59.982 -14.594 -16.668
  143    HD1  TRP  24           HD1      TRP  24  57.433 -15.236 -17.592
  144    HE1  TRP  24           HE1      TRP  24  55.815 -13.767 -18.960
  145    HE3  TRP  24           HE3      TRP  24  59.379 -10.620 -16.601
  146    HZ2  TRP  24           HZ2      TRP  24  55.403 -11.001 -19.558
  147    HZ3  TRP  24           HZ3      TRP  24  58.355  -8.587 -17.582
  148    HH2  TRP  24           HH2      TRP  24  56.372  -8.772 -19.058
  149    H    LYS  25           HN       LYS  25  56.493 -14.278 -14.058
  150    HA   LYS  25           HA       LYS  25  56.524 -11.663 -12.770
  151    HB2  LYS  25           HB2      LYS  25  54.279 -11.202 -14.072
  152    HB3  LYS  25           HB1      LYS  25  55.831 -10.783 -14.797
  153    HG2  LYS  25           HG2      LYS  25  54.347 -12.006 -16.380
  154    HG3  LYS  25           HG1      LYS  25  55.846 -12.878 -16.060
  155    HD2  LYS  25           HD2      LYS  25  54.770 -14.425 -14.618
  156    HD3  LYS  25           HD1      LYS  25  53.337 -13.408 -14.466
  157    HE2  LYS  25           HE2      LYS  25  53.397 -15.510 -16.121
  158    HE3  LYS  25           HE1      LYS  25  52.494 -14.047 -16.513
  159    HZ1  LYS  25           HZ1      LYS  25  54.078 -13.353 -17.995
  160    HZ2  LYS  25           HZ2      LYS  25  54.171 -15.036 -18.208
  161    HZ3  LYS  25           HZ3      LYS  25  55.329 -14.233 -17.260
  162    H    SER  26           HN       SER  26  56.003 -14.692 -12.343
  163    HA   SER  26           HA       SER  26  53.295 -14.540 -11.211
  164    HB2  SER  26           HB2      SER  26  54.621 -16.562 -12.566
  165    HB3  SER  26           HB1      SER  26  54.715 -17.069 -10.883
  166    HG   SER  26           HG       SER  26  52.314 -16.231 -11.089
  167    H    SER  27           HN       SER  27  56.547 -15.654 -10.238
  168    HA   SER  27           HA       SER  27  55.865 -15.720  -7.451
  169    HB2  SER  27           HB2      SER  27  58.612 -15.709  -8.717
  170    HB3  SER  27           HB1      SER  27  58.201 -16.239  -7.088
  171    HG   SER  27           HG       SER  27  56.695 -17.426  -9.038
  172    H    GLY  28           HN       GLY  28  55.031 -13.307  -8.066
  173    HA2  GLY  28           HA2      GLY  28  56.503 -11.571  -6.388
  174    HA3  GLY  28           HA1      GLY  28  56.825 -11.161  -8.070
  175    H    ALA  29           HN       ALA  29  53.786 -12.465  -6.871
  176    HA   ALA  29           HA       ALA  29  52.482  -9.877  -6.813
  177    HB1  ALA  29           HB1      ALA  29  51.378  -9.930  -8.789
  178    HB2  ALA  29           HB2      ALA  29  51.126 -11.674  -8.710
  179    HB3  ALA  29           HB3      ALA  29  52.663 -11.030  -9.286
  180    H    LEU  30           HN       LEU  30  52.942 -12.543  -5.312
  181    HA   LEU  30           HA       LEU  30  50.144 -12.816  -4.425
  182    HB2  LEU  30           HB2      LEU  30  52.051 -15.123  -4.890
  183    HB3  LEU  30           HB1      LEU  30  50.419 -15.244  -4.233
  184    HG   LEU  30           HG       LEU  30  49.941 -13.840  -6.522
  185   HD11  LEU  30          HD11      LEU  30  51.979 -15.905  -7.344
  186   HD12  LEU  30          HD12      LEU  30  52.452 -14.236  -7.028
  187   HD13  LEU  30          HD13      LEU  30  51.290 -14.598  -8.305
  188   HD21  LEU  30          HD21      LEU  30  48.634 -15.748  -5.929
  189   HD22  LEU  30          HD22      LEU  30  50.033 -16.819  -6.002
  190   HD23  LEU  30          HD23      LEU  30  49.359 -16.147  -7.486
  191    H    ILE  31           HN       ILE  31  53.523 -12.699  -3.735
  192    HA   ILE  31           HA       ILE  31  53.317 -13.622  -1.020
  193    HB   ILE  31           HB       ILE  31  55.471 -12.519  -2.752
  194   HG12  ILE  31          HG12      ILE  31  56.648 -14.476  -1.871
  195   HG13  ILE  31          HG11      ILE  31  55.345 -14.763  -0.717
  196   HG21  ILE  31          HG21      ILE  31  55.442 -12.334   0.269
  197   HG22  ILE  31          HG22      ILE  31  55.845 -11.067  -0.893
  198   HG23  ILE  31          HG23      ILE  31  56.940 -12.426  -0.655
  199   HD11  ILE  31          HD11      ILE  31  55.428 -16.024  -3.074
  200   HD12  ILE  31          HD12      ILE  31  54.609 -14.555  -3.604
  201   HD13  ILE  31          HD13      ILE  31  53.899 -15.551  -2.333
  202    HA   PRO  32           HA       PRO  32  53.255  -8.997  -0.012
  203    HB2  PRO  32           HB2      PRO  32  52.796  -7.173  -1.954
  204    HB3  PRO  32           HB1      PRO  32  54.408  -7.854  -1.663
  205    HG2  PRO  32           HG2      PRO  32  52.503  -8.391  -3.846
  206    HG3  PRO  32           HG1      PRO  32  54.269  -8.509  -3.827
  207    HD2  PRO  32           HD2      PRO  32  52.399 -10.651  -3.562
  208    HD3  PRO  32           HD1      PRO  32  54.164 -10.741  -3.402
  209    H    ALA  33           HN       ALA  33  50.945 -10.735  -1.571
  210    HA   ALA  33           HA       ALA  33  48.765  -8.817  -1.058
  211    HB1  ALA  33           HB1      ALA  33  48.404  -9.616  -3.198
  212    HB2  ALA  33           HB2      ALA  33  47.458 -10.769  -2.257
  213    HB3  ALA  33           HB3      ALA  33  49.068 -11.207  -2.828
  214    H    ILE  34           HN       ILE  34  50.405 -11.014   0.642
  215    HA   ILE  34           HA       ILE  34  48.036 -11.742   2.236
  216    HB   ILE  34           HB       ILE  34  50.285 -13.693   1.766
  217   HG12  ILE  34          HG12      ILE  34  47.660 -13.441   0.261
  218   HG13  ILE  34          HG11      ILE  34  49.271 -13.208  -0.418
  219   HG21  ILE  34          HG21      ILE  34  47.423 -14.299   2.467
  220   HG22  ILE  34          HG22      ILE  34  48.541 -13.762   3.721
  221   HG23  ILE  34          HG23      ILE  34  48.873 -15.239   2.817
  222   HD11  ILE  34          HD11      ILE  34  48.742 -15.430  -1.008
  223   HD12  ILE  34          HD12      ILE  34  47.998 -15.760   0.557
  224   HD13  ILE  34          HD13      ILE  34  49.751 -15.611   0.427
  225    H    TYR  35           HN       TYR  35  51.516 -11.262   2.027
  226    HA   TYR  35           HA       TYR  35  51.844 -11.396   4.916
  227    HB2  TYR  35           HB2      TYR  35  53.685 -11.001   2.577
  228    HB3  TYR  35           HB1      TYR  35  54.228 -10.607   4.209
  229    HD1  TYR  35           HD2      TYR  35  53.871 -12.419   6.039
  230    HD2  TYR  35           HD1      TYR  35  53.760 -13.224   1.821
  231    HE1  TYR  35           HE2      TYR  35  54.280 -14.824   6.487
  232    HE2  TYR  35           HE1      TYR  35  54.169 -15.629   2.269
  233    HH   TYR  35           HH       TYR  35  54.195 -16.906   5.555
  234    H    MET  36           HN       MET  36  50.167  -9.303   3.495
  235    HA   MET  36           HA       MET  36  51.362  -6.982   4.865
  236    HB2  MET  36           HB2      MET  36  50.010  -6.786   2.169
  237    HB3  MET  36           HB1      MET  36  50.882  -5.520   3.034
  238    HG2  MET  36           HG2      MET  36  52.111  -8.084   1.978
  239    HG3  MET  36           HG1      MET  36  52.270  -6.494   1.233
  240    HE1  MET  36           HE1      MET  36  54.934  -7.410   1.472
  241    HE2  MET  36           HE2      MET  36  54.346  -8.752   2.449
  242    HE3  MET  36           HE3      MET  36  55.658  -7.741   3.052
  243    H    LEU  37           HN       LEU  37  48.439  -7.857   3.005
  244    HA   LEU  37           HA       LEU  37  46.676  -6.219   4.462
  245    HB2  LEU  37           HB2      LEU  37  45.959  -8.809   3.076
  246    HB3  LEU  37           HB1      LEU  37  44.905  -7.427   3.380
  247    HG   LEU  37           HG       LEU  37  47.362  -7.417   1.602
  248   HD11  LEU  37          HD11      LEU  37  44.540  -6.916   0.701
  249   HD12  LEU  37          HD12      LEU  37  45.108  -8.576   0.893
  250   HD13  LEU  37          HD13      LEU  37  45.921  -7.490  -0.234
  251   HD21  LEU  37          HD21      LEU  37  45.477  -5.293   2.584
  252   HD22  LEU  37          HD22      LEU  37  46.182  -5.143   0.973
  253   HD23  LEU  37          HD23      LEU  37  47.229  -5.223   2.391
  254    H    VAL  38           HN       VAL  38  48.171  -9.188   5.274
  255    HA   VAL  38           HA       VAL  38  46.185  -9.776   7.363
  256    HB   VAL  38           HB       VAL  38  48.618 -11.390   6.569
  257   HG11  VAL  38          HG11      VAL  38  46.090 -12.082   8.101
  258   HG12  VAL  38          HG12      VAL  38  47.690 -11.863   8.809
  259   HG13  VAL  38          HG13      VAL  38  47.390 -13.207   7.707
  260   HG21  VAL  38          HG21      VAL  38  47.077 -11.124   4.657
  261   HG22  VAL  38          HG22      VAL  38  45.728 -11.641   5.669
  262   HG23  VAL  38          HG23      VAL  38  47.023 -12.773   5.278
  263    H    PHE  39           HN       PHE  39  49.711  -9.375   6.990
  264    HA   PHE  39           HA       PHE  39  50.567  -9.513   9.575
  265    HB2  PHE  39           HB2      PHE  39  51.754  -8.775   7.287
  266    HB3  PHE  39           HB1      PHE  39  51.583  -7.185   8.031
  267    HD1  PHE  39           HD1      PHE  39  52.347  -6.954  10.507
  268    HD2  PHE  39           HD2      PHE  39  53.514 -10.189   7.933
  269    HE1  PHE  39           HE1      PHE  39  54.276  -7.437  11.989
  270    HE2  PHE  39           HE2      PHE  39  55.443 -10.673   9.416
  271    HZ   PHE  39           HZ       PHE  39  55.823  -9.297  11.443
  272    H    LEU  40           HN       LEU  40  49.106  -6.676   8.007
  273    HA   LEU  40           HA       LEU  40  48.863  -5.389  10.652
  274    HB2  LEU  40           HB2      LEU  40  48.574  -4.181   7.891
  275    HB3  LEU  40           HB1      LEU  40  48.533  -3.304   9.421
  276    HG   LEU  40           HG       LEU  40  50.894  -4.892   9.426
  277   HD11  LEU  40          HD11      LEU  40  50.714  -5.014   6.986
  278   HD12  LEU  40          HD12      LEU  40  52.042  -3.944   7.432
  279   HD13  LEU  40          HD13      LEU  40  50.507  -3.265   6.894
  280   HD21  LEU  40          HD21      LEU  40  51.971  -2.639   9.489
  281   HD22  LEU  40          HD22      LEU  40  50.606  -2.763  10.600
  282   HD23  LEU  40          HD23      LEU  40  50.418  -1.915   9.065
  283    H    LEU  41           HN       LEU  41  47.079  -7.071  10.926
  284    HA   LEU  41           HA       LEU  41  44.543  -5.815  10.143
  285    HB2  LEU  41           HB2      LEU  41  45.502  -8.178   8.946
  286    HB3  LEU  41           HB1      LEU  41  44.257  -8.682  10.088
  287    HG   LEU  41           HG       LEU  41  43.930  -6.522   7.986
  288   HD11  LEU  41          HD11      LEU  41  43.855  -9.321   7.721
  289   HD12  LEU  41          HD12      LEU  41  43.238  -8.134   6.572
  290   HD13  LEU  41          HD13      LEU  41  42.166  -8.815   7.795
  291   HD21  LEU  41          HD21      LEU  41  41.452  -7.457   8.971
  292   HD22  LEU  41          HD22      LEU  41  42.178  -5.874   9.249
  293   HD23  LEU  41          HD23      LEU  41  42.464  -7.187  10.391
  294    H    GLY  42           HN       GLY  42  45.835  -8.651  11.893
  295    HA2  GLY  42           HA2      GLY  42  43.814  -8.352  13.964
  296    HA3  GLY  42           HA1      GLY  42  45.029  -9.623  13.861
  297    H    THR  43           HN       THR  43  46.269  -6.483  13.419
  298    HA   THR  43           HA       THR  43  46.733  -5.888  16.207
  299    HB   THR  43           HB       THR  43  48.522  -7.316  16.290
  300    HG1  THR  43           HG1      THR  43  49.157  -4.871  15.861
  301   HG21  THR  43          HG21      THR  43  49.890  -7.880  14.248
  302   HG22  THR  43          HG22      THR  43  48.771  -6.899  13.302
  303   HG23  THR  43          HG23      THR  43  48.192  -8.343  14.133
  304    H    THR  44           HN       THR  44  47.942  -5.335  12.899
  305    HA   THR  44           HA       THR  44  48.645  -3.389  11.864
  306    HB   THR  44           HB       THR  44  46.834  -2.096  11.408
  307    HG1  THR  44           HG1      THR  44  46.420  -0.738  12.932
  308   HG21  THR  44          HG21      THR  44  45.326  -3.907  13.290
  309   HG22  THR  44          HG22      THR  44  46.031  -4.517  11.792
  310   HG23  THR  44          HG23      THR  44  44.800  -3.255  11.739
  311    H    GLY  45           HN       GLY  45  49.534  -3.853  14.729
  312    HA2  GLY  45           HA2      GLY  45  51.279  -2.560  15.749
  313    HA3  GLY  45           HA1      GLY  45  50.469  -1.096  15.198
  314    H    ASN  46           HN       ASN  46  47.819  -2.038  16.027
  315    HA   ASN  46           HA       ASN  46  47.833  -1.038  18.696
  316    HB2  ASN  46           HB2      ASN  46  45.622  -0.816  18.355
  317    HB3  ASN  46           HB1      ASN  46  45.928  -1.374  16.710
  318   HD21  ASN  46          HD21      ASN  46  45.471  -3.642  16.215
  319   HD22  ASN  46          HD22      ASN  46  44.528  -4.594  17.258
  320    H    GLY  47           HN       GLY  47  48.699  -4.010  17.510
  321    HA2  GLY  47           HA2      GLY  47  47.624  -5.590  19.720
  322    HA3  GLY  47           HA1      GLY  47  48.581  -6.195  18.371
  323    H    LEU  48           HN       LEU  48  50.368  -3.702  19.043
  324    HA   LEU  48           HA       LEU  48  51.719  -4.788  21.420
  325    HB2  LEU  48           HB2      LEU  48  53.914  -4.364  20.097
  326    HB3  LEU  48           HB1      LEU  48  53.011  -5.846  19.777
  327    HG   LEU  48           HG       LEU  48  52.199  -3.502  18.163
  328   HD11  LEU  48          HD11      LEU  48  54.631  -3.177  18.189
  329   HD12  LEU  48          HD12      LEU  48  54.119  -3.776  16.611
  330   HD13  LEU  48          HD13      LEU  48  54.877  -4.872  17.767
  331   HD21  LEU  48          HD21      LEU  48  51.345  -5.874  17.946
  332   HD22  LEU  48          HD22      LEU  48  52.953  -6.334  17.387
  333   HD23  LEU  48          HD23      LEU  48  51.985  -5.195  16.450
  334    H    VAL  49           HN       VAL  49  50.128  -2.324  20.587
  335    HA   VAL  49           HA       VAL  49  52.038  -0.376  21.690
  336    HB   VAL  49           HB       VAL  49  50.289   0.089  19.263
  337   HG11  VAL  49          HG11      VAL  49  51.715   2.305  19.375
  338   HG12  VAL  49          HG12      VAL  49  51.833   1.905  21.089
  339   HG13  VAL  49          HG13      VAL  49  50.252   2.152  20.347
  340   HG21  VAL  49          HG21      VAL  49  52.342  -1.155  18.756
  341   HG22  VAL  49          HG22      VAL  49  53.300   0.026  19.650
  342   HG23  VAL  49          HG23      VAL  49  52.486   0.498  18.158
  343    H    LEU  50           HN       LEU  50  48.673  -1.134  20.859
  344    HA   LEU  50           HA       LEU  50  47.750   0.734  22.934
  345    HB2  LEU  50           HB2      LEU  50  46.722   0.838  20.654
  346    HB3  LEU  50           HB1      LEU  50  46.127  -0.802  20.893
  347    HG   LEU  50           HG       LEU  50  44.903  -0.030  22.928
  348   HD11  LEU  50          HD11      LEU  50  46.257   2.525  22.175
  349   HD12  LEU  50          HD12      LEU  50  45.882   1.880  23.772
  350   HD13  LEU  50          HD13      LEU  50  44.613   2.628  22.803
  351   HD21  LEU  50          HD21      LEU  50  43.480  -0.115  21.092
  352   HD22  LEU  50          HD22      LEU  50  44.388   1.107  20.202
  353   HD23  LEU  50          HD23      LEU  50  43.340   1.585  21.537
  354    H    TRP  51           HN       TRP  51  47.448  -2.654  21.909
  355    HA   TRP  51           HA       TRP  51  45.804  -3.524  24.023
  356    HB2  TRP  51           HB2      TRP  51  45.874  -5.293  22.640
  357    HB3  TRP  51           HB1      TRP  51  47.372  -4.735  21.895
  358    HD1  TRP  51           HD1      TRP  51  49.681  -5.399  23.154
  359    HE1  TRP  51           HE1      TRP  51  50.249  -7.442  24.622
  360    HE3  TRP  51           HE3      TRP  51  44.970  -6.990  24.314
  361    HZ2  TRP  51           HZ2      TRP  51  48.885  -9.481  26.092
  362    HZ3  TRP  51           HZ3      TRP  51  44.632  -8.983  25.748
  363    HH2  TRP  51           HH2      TRP  51  46.583 -10.229  26.638
  364    H    THR  52           HN       THR  52  49.186  -2.787  23.876
  365    HA   THR  52           HA       THR  52  49.938  -4.273  26.222
  366    HB   THR  52           HB       THR  52  51.505  -3.573  24.356
  367    HG1  THR  52           HG1      THR  52  52.713  -4.142  25.977
  368   HG21  THR  52          HG21      THR  52  51.792  -0.948  25.749
  369   HG22  THR  52          HG22      THR  52  50.465  -1.129  24.602
  370   HG23  THR  52          HG23      THR  52  52.129  -1.372  24.070
  371    H    VAL  53           HN       VAL  53  48.725  -1.070  25.539
  372    HA   VAL  53           HA       VAL  53  49.454   0.309  27.843
  373    HB   VAL  53           HB       VAL  53  46.840   0.488  26.324
  374   HG11  VAL  53          HG11      VAL  53  47.093   2.925  27.202
  375   HG12  VAL  53          HG12      VAL  53  48.188   2.219  28.390
  376   HG13  VAL  53          HG13      VAL  53  46.507   1.692  28.319
  377   HG21  VAL  53          HG21      VAL  53  49.304   2.217  26.020
  378   HG22  VAL  53          HG22      VAL  53  47.915   2.100  24.940
  379   HG23  VAL  53          HG23      VAL  53  49.060   0.763  25.051
  380    H    PHE  54           HN       PHE  54  46.306  -1.294  27.307
  381    HA   PHE  54           HA       PHE  54  45.636  -1.224  30.093
  382    HB2  PHE  54           HB2      PHE  54  44.418  -2.564  27.681
  383    HB3  PHE  54           HB1      PHE  54  43.775  -2.805  29.307
  384    HD1  PHE  54           HD2      PHE  54  43.177  -0.713  30.683
  385    HD2  PHE  54           HD1      PHE  54  43.852  -0.640  26.442
  386    HE1  PHE  54           HE2      PHE  54  41.971   1.450  30.528
  387    HE2  PHE  54           HE1      PHE  54  42.646   1.521  26.287
  388    HZ   PHE  54           HZ       PHE  54  41.706   2.566  28.330
  389    H    ARG  55           HN       ARG  55  48.153  -2.461  29.699
  390    HA   ARG  55           HA       ARG  55  47.614  -5.033  30.976
  391    HB2  ARG  55           HB2      ARG  55  47.800  -5.579  28.576
  392    HB3  ARG  55           HB1      ARG  55  49.380  -4.795  28.528
  393    HG2  ARG  55           HG2      ARG  55  50.384  -6.631  29.358
  394    HG3  ARG  55           HG1      ARG  55  49.263  -6.685  30.719
  395    HD2  ARG  55           HD2      ARG  55  47.590  -7.808  29.275
  396    HD3  ARG  55           HD1      ARG  55  48.744  -7.791  27.944
  397    HE   ARG  55           HE       ARG  55  50.123  -9.059  29.904
  398   HH11  ARG  55          HH21      ARG  55  46.942  -9.413  28.588
  399   HH12  ARG  55          HH22      ARG  55  46.858 -11.117  28.887
  400   HH21  ARG  55          HH11      ARG  55  50.019 -11.294  30.301
  401   HH22  ARG  55          HH12      ARG  55  48.599 -12.181  29.858
  402    H    LYS  56           HN       LYS  56  50.126  -2.826  29.751
  403    HA   LYS  56           HA       LYS  56  52.203  -3.672  31.447
  404    HB2  LYS  56           HB2      LYS  56  53.171  -1.405  30.996
  405    HB3  LYS  56           HB1      LYS  56  52.680  -2.269  29.539
  406    HG2  LYS  56           HG2      LYS  56  51.303  -0.577  28.995
  407    HG3  LYS  56           HG1      LYS  56  50.418  -0.813  30.502
  408    HD2  LYS  56           HD2      LYS  56  51.968   0.644  31.692
  409    HD3  LYS  56           HD1      LYS  56  52.966   0.811  30.247
  410    HE2  LYS  56           HE2      LYS  56  50.149   1.461  29.768
  411    HE3  LYS  56           HE1      LYS  56  50.900   2.509  30.970
  412    HZ1  LYS  56           HZ1      LYS  56  51.446   3.561  29.024
  413    HZ2  LYS  56           HZ2      LYS  56  51.606   2.117  28.144
  414    HZ3  LYS  56           HZ3      LYS  56  52.814   2.582  29.244
  415    H    LYS  57           HN       LYS  57  49.370  -1.820  32.077
  416    HA   LYS  57           HA       LYS  57  50.208  -0.273  34.271
  417    HB2  LYS  57           HB2      LYS  57  47.481  -1.532  33.944
  418    HB3  LYS  57           HB1      LYS  57  47.885  -0.049  34.808
  419    HG2  LYS  57           HG2      LYS  57  48.910   0.322  32.223
  420    HG3  LYS  57           HG1      LYS  57  47.331  -0.425  31.983
  421    HD2  LYS  57           HD2      LYS  57  46.295   1.277  33.433
  422    HD3  LYS  57           HD1      LYS  57  47.873   2.022  33.692
  423    HE2  LYS  57           HE2      LYS  57  47.834   3.064  31.681
  424    HE3  LYS  57           HE1      LYS  57  47.225   1.631  30.855
  425    HZ1  LYS  57           HZ1      LYS  57  45.075   2.277  32.215
  426    HZ2  LYS  57           HZ2      LYS  57  45.407   2.946  30.689
  427    HZ3  LYS  57           HZ3      LYS  57  45.758   3.825  32.100
  428    H    GLY  58           HN       GLY  58  49.661  -3.664  33.944
  429    HA2  GLY  58           HA2      GLY  58  50.908  -4.669  36.058
  430    HA3  GLY  58           HA1      GLY  58  49.433  -4.096  36.828
  431    H    HIS  59           HN       HIS  59  50.504  -6.056  34.048
  432    HA   HIS  59           HA       HIS  59  49.466  -7.828  32.978
  433    HB2  HIS  59           HB2      HIS  59  49.281  -8.502  35.915
  434    HB3  HIS  59           HB1      HIS  59  48.817  -9.642  34.652
  435    HD2  HIS  59           HD2      HIS  59  52.034  -7.316  34.501
  436    HE1  HIS  59           HE1      HIS  59  53.253 -11.357  34.383
  437    HE2  HIS  59           HE2      HIS  59  54.054  -8.951  34.238
  438    H    HIS  60           HN       HIS  60  47.726  -6.230  32.336
  439    HA   HIS  60           HA       HIS  60  45.513  -5.562  32.198
  440    HB2  HIS  60           HB2      HIS  60  44.052  -7.387  31.678
  441    HB3  HIS  60           HB1      HIS  60  45.658  -7.829  31.097
  442    HD2  HIS  60           HD2      HIS  60  46.867  -9.994  32.464
  443    HE1  HIS  60           HE1      HIS  60  43.626 -10.774  35.056
  444    HE2  HIS  60           HE2      HIS  60  45.869 -11.635  34.233
  445    H    HIS  61           HN       HIS  61  46.550  -5.380  34.869
  446    HA   HIS  61           HA       HIS  61  45.843  -5.106  37.039
  447    HB2  HIS  61           HB2      HIS  61  43.204  -4.928  35.573
  448    HB3  HIS  61           HB1      HIS  61  43.394  -4.571  37.291
  449    HD2  HIS  61           HD2      HIS  61  46.348  -3.369  35.090
  450    HE1  HIS  61           HE1      HIS  61  43.957   0.014  35.905
  451    HE2  HIS  61           HE2      HIS  61  46.174  -0.767  34.945
  452    H    HIS  62           HN       HIS  62  46.225  -6.896  38.215
  453    HA   HIS  62           HA       HIS  62  44.036  -8.819  38.512
  454    HB2  HIS  62           HB2      HIS  62  45.960  -9.526  36.800
  455    HB3  HIS  62           HB1      HIS  62  46.768  -9.986  38.298
  456    HD2  HIS  62           HD2      HIS  62  42.941 -10.525  37.289
  457    HE1  HIS  62           HE1      HIS  62  44.593 -14.204  38.537
  458    HE2  HIS  62           HE2      HIS  62  42.472 -13.052  37.749
  459    H    HIS  63           HN       HIS  63  43.626  -8.435  40.617
  460    HA   HIS  63           HA       HIS  63  45.860  -8.190  42.504
  461    HB2  HIS  63           HB2      HIS  63  42.916  -7.917  43.119
  462    HB3  HIS  63           HB1      HIS  63  44.283  -7.306  44.051
  463    HD2  HIS  63           HD2      HIS  63  45.847  -5.895  41.404
  464    HE1  HIS  63           HE1      HIS  63  42.315  -3.592  41.177
  465    HE2  HIS  63           HE2      HIS  63  44.742  -3.734  40.441
  466    H    HIS  64           HN       HIS  64  46.532 -10.380  42.508
  467    HA   HIS  64           HA       HIS  64  44.599 -12.335  43.560
  468    HB2  HIS  64           HB2      HIS  64  45.673 -13.270  41.699
  469    HB3  HIS  64           HB1      HIS  64  47.235 -12.573  42.132
  470    HD2  HIS  64           HD2      HIS  64  45.155 -14.610  44.790
  471    HE1  HIS  64           HE1      HIS  64  48.610 -16.834  43.818
  472    HE2  HIS  64           HE2      HIS  64  46.594 -16.713  45.359
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  70.031 -25.317  31.846
    2    H2   MET   1           HT2      MET   1  68.966 -25.686  30.573
    3    H3   MET   1           HT3      MET   1  70.643 -25.858  30.358
    4    HA   MET   1           HA       MET   1  70.647 -27.902  31.180
    5    HB2  MET   1           HB2      MET   1  68.838 -26.851  33.378
    6    HB3  MET   1           HB1      MET   1  69.694 -28.393  33.393
    7    HG2  MET   1           HG2      MET   1  71.515 -26.217  32.798
    8    HG3  MET   1           HG1      MET   1  70.668 -25.926  34.317
    9    HE1  MET   1           HE1      MET   1  70.100 -28.255  35.816
   10    HE2  MET   1           HE2      MET   1  71.135 -26.978  36.452
   11    HE3  MET   1           HE3      MET   1  71.601 -28.665  36.658
   12    H    GLU   2           HN       GLU   2  68.966 -29.737  31.854
   13    HA   GLU   2           HA       GLU   2  66.749 -29.494  29.931
   14    HB2  GLU   2           HB2      GLU   2  68.004 -31.938  31.205
   15    HB3  GLU   2           HB1      GLU   2  66.690 -31.964  30.028
   16    HG2  GLU   2           HG2      GLU   2  68.108 -30.900  28.356
   17    HG3  GLU   2           HG1      GLU   2  69.412 -30.729  29.530
   18    H    GLU   3           HN       GLU   3  65.747 -28.124  31.733
   19    HA   GLU   3           HA       GLU   3  64.561 -29.753  33.869
   20    HB2  GLU   3           HB2      GLU   3  65.044 -26.854  33.434
   21    HB3  GLU   3           HB1      GLU   3  63.600 -27.290  34.349
   22    HG2  GLU   3           HG2      GLU   3  64.848 -28.410  36.013
   23    HG3  GLU   3           HG1      GLU   3  66.281 -28.511  34.992
   24    H    GLY   4           HN       GLY   4  63.868 -28.848  30.743
   25    HA2  GLY   4           HA2      GLY   4  60.997 -29.355  31.170
   26    HA3  GLY   4           HA1      GLY   4  61.490 -27.956  30.220
   27    H    GLY   5           HN       GLY   5  60.809 -28.521  28.212
   28    HA2  GLY   5           HA2      GLY   5  61.544 -31.166  27.151
   29    HA3  GLY   5           HA1      GLY   5  60.360 -30.068  26.449
   30    H    ASP   6           HN       ASP   6  63.541 -31.185  26.297
   31    HA   ASP   6           HA       ASP   6  64.589 -28.820  24.937
   32    HB2  ASP   6           HB2      ASP   6  66.703 -29.918  24.982
   33    HB3  ASP   6           HB1      ASP   6  65.957 -30.230  26.548
   34    H    PHE   7           HN       PHE   7  62.382 -30.638  23.884
   35    HA   PHE   7           HA       PHE   7  63.461 -30.833  21.174
   36    HB2  PHE   7           HB2      PHE   7  62.413 -33.139  20.954
   37    HB3  PHE   7           HB1      PHE   7  63.895 -33.058  21.906
   38    HD1  PHE   7           HD2      PHE   7  63.651 -32.771  24.466
   39    HD2  PHE   7           HD1      PHE   7  60.444 -34.018  21.897
   40    HE1  PHE   7           HE2      PHE   7  62.448 -33.705  26.422
   41    HE2  PHE   7           HE1      PHE   7  59.240 -34.953  23.852
   42    HZ   PHE   7           HZ       PHE   7  60.242 -34.797  26.116
   43    H    ASP   8           HN       ASP   8  61.819 -28.887  21.770
   44    HA   ASP   8           HA       ASP   8  59.257 -29.727  20.587
   45    HB2  ASP   8           HB2      ASP   8  59.127 -29.440  23.135
   46    HB3  ASP   8           HB1      ASP   8  59.363 -27.719  22.832
   47    H    ASN   9           HN       ASN   9  61.334 -28.612  19.166
   48    HA   ASN   9           HA       ASN   9  60.203 -25.981  18.487
   49    HB2  ASN   9           HB2      ASN   9  62.326 -25.803  19.918
   50    HB3  ASN   9           HB1      ASN   9  63.181 -26.451  18.518
   51   HD21  ASN   9          HD21      ASN   9  64.306 -24.343  18.284
   52   HD22  ASN   9          HD22      ASN   9  63.489 -23.014  17.613
   53    H    TYR  10           HN       TYR  10  62.992 -27.895  17.367
   54    HA   TYR  10           HA       TYR  10  61.619 -28.446  14.840
   55    HB2  TYR  10           HB2      TYR  10  62.775 -26.254  14.547
   56    HB3  TYR  10           HB1      TYR  10  64.304 -27.051  14.924
   57    HD1  TYR  10           HD1      TYR  10  61.373 -27.234  12.606
   58    HD2  TYR  10           HD2      TYR  10  65.520 -28.152  13.239
   59    HE1  TYR  10           HE1      TYR  10  61.567 -27.983  10.250
   60    HE2  TYR  10           HE2      TYR  10  65.715 -28.901  10.883
   61    HH   TYR  10           HH       TYR  10  63.588 -29.851   9.076
   62    H    TYR  11           HN       TYR  11  63.160 -29.648  17.347
   63    HA   TYR  11           HA       TYR  11  64.656 -31.372  17.760
   64    HB2  TYR  11           HB2      TYR  11  64.052 -33.405  16.332
   65    HB3  TYR  11           HB1      TYR  11  62.745 -32.678  17.266
   66    HD1  TYR  11           HD1      TYR  11  61.019 -31.304  16.167
   67    HD2  TYR  11           HD2      TYR  11  64.116 -33.245  13.911
   68    HE1  TYR  11           HE1      TYR  11  59.735 -30.925  14.079
   69    HE2  TYR  11           HE2      TYR  11  62.833 -32.865  11.823
   70    HH   TYR  11           HH       TYR  11  60.469 -30.715  11.485
   71    H    GLY  12           HN       GLY  12  65.877 -29.404  16.183
   72    HA2  GLY  12           HA2      GLY  12  68.007 -30.941  15.012
   73    HA3  GLY  12           HA1      GLY  12  67.059 -30.075  13.806
   74    H    ALA  13           HN       ALA  13  66.527 -27.695  14.763
   75    HA   ALA  13           HA       ALA  13  68.196 -26.250  16.358
   76    HB1  ALA  13           HB1      ALA  13  70.231 -26.675  15.410
   77    HB2  ALA  13           HB2      ALA  13  69.738 -25.357  14.346
   78    HB3  ALA  13           HB3      ALA  13  69.540 -27.031  13.827
   79    H    ASP  14           HN       ASP  14  66.389 -26.499  13.428
   80    HA   ASP  14           HA       ASP  14  64.918 -25.054  12.415
   81    HB2  ASP  14           HB2      ASP  14  64.476 -24.528  14.934
   82    HB3  ASP  14           HB1      ASP  14  65.362 -23.042  14.599
   83    H    ASN  15           HN       ASN  15  67.160 -25.025  11.166
   84    HA   ASN  15           HA       ASN  15  68.946 -22.989  11.084
   85    HB2  ASN  15           HB2      ASN  15  67.722 -24.730   9.058
   86    HB3  ASN  15           HB1      ASN  15  68.373 -23.223   8.413
   87   HD21  ASN  15          HD21      ASN  15  69.303 -26.312   8.764
   88   HD22  ASN  15          HD22      ASN  15  70.952 -26.111   9.114
   89    H    GLN  16           HN       GLN  16  68.128 -21.026  11.826
   90    HA   GLN  16           HA       GLN  16  65.903 -19.733  10.524
   91    HB2  GLN  16           HB2      GLN  16  66.194 -18.001  12.091
   92    HB3  GLN  16           HB1      GLN  16  66.672 -19.453  12.970
   93    HG2  GLN  16           HG2      GLN  16  68.434 -17.317  11.776
   94    HG3  GLN  16           HG1      GLN  16  68.408 -17.921  13.431
   95   HE21  GLN  16          HE21      GLN  16  69.052 -20.344  13.637
   96   HE22  GLN  16          HE22      GLN  16  70.282 -20.897  12.606
   97    H    SER  17           HN       SER  17  68.620 -20.458   9.169
   98    HA   SER  17           HA       SER  17  68.816 -17.912   7.704
   99    HB2  SER  17           HB2      SER  17  71.098 -19.465   8.917
  100    HB3  SER  17           HB1      SER  17  71.333 -18.342   7.581
  101    HG   SER  17           HG       SER  17  69.785 -17.304   9.567
  102    H    GLU  18           HN       GLU  18  69.857 -21.319   7.800
  103    HA   GLU  18           HA       GLU  18  70.152 -21.438   4.926
  104    HB2  GLU  18           HB2      GLU  18  71.501 -22.779   6.632
  105    HB3  GLU  18           HB1      GLU  18  70.063 -23.784   6.822
  106    HG2  GLU  18           HG2      GLU  18  70.090 -24.043   4.275
  107    HG3  GLU  18           HG1      GLU  18  71.709 -23.350   4.324
  108    H    CYS  19           HN       CYS  19  67.751 -20.570   4.950
  109    HA   CYS  19           HA       CYS  19  65.850 -22.813   5.052
  110    HB2  CYS  19           HB2      CYS  19  65.641 -20.135   5.810
  111    HB3  CYS  19           HB1      CYS  19  64.721 -20.243   4.309
  112    HG   CYS  19           HG       CYS  19  63.471 -21.029   6.716
  113    H    GLU  20           HN       GLU  20  67.804 -21.172   2.865
  114    HA   GLU  20           HA       GLU  20  66.184 -20.998   0.570
  115    HB2  GLU  20           HB2      GLU  20  69.153 -21.577   0.703
  116    HB3  GLU  20           HB1      GLU  20  68.271 -20.937  -0.685
  117    HG2  GLU  20           HG2      GLU  20  67.514 -19.147   1.194
  118    HG3  GLU  20           HG1      GLU  20  69.105 -19.576   1.819
  119    H    TYR  21           HN       TYR  21  66.850 -23.687   2.333
  120    HA   TYR  21           HA       TYR  21  67.607 -25.701   0.605
  121    HB2  TYR  21           HB2      TYR  21  66.510 -25.557   3.172
  122    HB3  TYR  21           HB1      TYR  21  65.385 -26.563   2.258
  123    HD1  TYR  21           HD1      TYR  21  69.039 -26.105   2.936
  124    HD2  TYR  21           HD2      TYR  21  65.895 -28.815   1.831
  125    HE1  TYR  21           HE1      TYR  21  70.631 -28.003   3.061
  126    HE2  TYR  21           HE2      TYR  21  67.487 -30.712   1.956
  127    HH   TYR  21           HH       TYR  21  70.170 -30.760   3.511
  128    H    THR  22           HN       THR  22  64.270 -24.590   1.224
  129    HA   THR  22           HA       THR  22  63.561 -25.194  -1.539
  130    HB   THR  22           HB       THR  22  61.433 -26.301  -0.088
  131    HG1  THR  22           HG1      THR  22  63.082 -26.410   1.619
  132   HG21  THR  22          HG21      THR  22  62.224 -27.016  -2.296
  133   HG22  THR  22          HG22      THR  22  62.174 -28.391  -1.194
  134   HG23  THR  22          HG23      THR  22  63.716 -27.625  -1.580
  135    H    ASP  23           HN       ASP  23  63.669 -22.981   0.653
  136    HA   ASP  23           HA       ASP  23  60.884 -22.041   0.430
  137    HB2  ASP  23           HB2      ASP  23  61.158 -21.025   2.430
  138    HB3  ASP  23           HB1      ASP  23  62.547 -22.097   2.601
  139    H    TRP  24           HN       TRP  24  63.415 -21.921  -1.473
  140    HA   TRP  24           HA       TRP  24  63.639 -19.053  -1.896
  141    HB2  TRP  24           HB2      TRP  24  65.226 -19.628  -3.630
  142    HB3  TRP  24           HB1      TRP  24  65.575 -20.606  -2.205
  143    HD1  TRP  24           HD1      TRP  24  64.502 -23.157  -2.241
  144    HE1  TRP  24           HE1      TRP  24  64.251 -24.771  -4.236
  145    HE3  TRP  24           HE3      TRP  24  64.891 -19.847  -6.110
  146    HZ2  TRP  24           HZ2      TRP  24  64.221 -24.672  -7.095
  147    HZ3  TRP  24           HZ3      TRP  24  64.748 -20.632  -8.456
  148    HH2  TRP  24           HH2      TRP  24  64.413 -23.039  -8.952
  149    H    LYS  25           HN       LYS  25  61.257 -21.146  -2.534
  150    HA   LYS  25           HA       LYS  25  60.274 -19.552  -4.765
  151    HB2  LYS  25           HB2      LYS  25  59.602 -21.847  -5.871
  152    HB3  LYS  25           HB1      LYS  25  61.192 -21.147  -6.170
  153    HG2  LYS  25           HG2      LYS  25  61.318 -23.565  -5.589
  154    HG3  LYS  25           HG1      LYS  25  62.177 -22.554  -4.427
  155    HD2  LYS  25           HD2      LYS  25  60.451 -22.755  -2.810
  156    HD3  LYS  25           HD1      LYS  25  59.299 -23.366  -3.999
  157    HE2  LYS  25           HE2      LYS  25  61.794 -24.809  -3.053
  158    HE3  LYS  25           HE1      LYS  25  60.139 -25.199  -2.585
  159    HZ1  LYS  25           HZ1      LYS  25  61.326 -25.366  -5.296
  160    HZ2  LYS  25           HZ2      LYS  25  59.663 -25.520  -4.989
  161    HZ3  LYS  25           HZ3      LYS  25  60.757 -26.647  -4.342
  162    H    SER  26           HN       SER  26  59.725 -20.492  -1.846
  163    HA   SER  26           HA       SER  26  56.832 -20.802  -2.261
  164    HB2  SER  26           HB2      SER  26  58.613 -22.836  -1.190
  165    HB3  SER  26           HB1      SER  26  57.365 -22.387  -0.032
  166    HG   SER  26           HG       SER  26  57.159 -23.570  -2.548
  167    H    SER  27           HN       SER  27  59.043 -18.863  -1.159
  168    HA   SER  27           HA       SER  27  57.446 -18.039   1.176
  169    HB2  SER  27           HB2      SER  27  59.914 -19.220   1.463
  170    HB3  SER  27           HB1      SER  27  60.317 -17.506   1.445
  171    HG   SER  27           HG       SER  27  58.348 -18.759   3.069
  172    H    GLY  28           HN       GLY  28  57.599 -17.123  -1.621
  173    HA2  GLY  28           HA2      GLY  28  58.018 -14.292  -1.052
  174    HA3  GLY  28           HA1      GLY  28  59.020 -14.980  -2.327
  175    H    ALA  29           HN       ALA  29  55.717 -15.972  -1.631
  176    HA   ALA  29           HA       ALA  29  54.718 -14.501  -3.964
  177    HB1  ALA  29           HB1      ALA  29  55.006 -16.389  -5.201
  178    HB2  ALA  29           HB2      ALA  29  53.513 -16.884  -4.404
  179    HB3  ALA  29           HB3      ALA  29  55.068 -17.435  -3.782
  180    H    LEU  30           HN       LEU  30  54.141 -16.397  -1.074
  181    HA   LEU  30           HA       LEU  30  51.332 -15.485  -1.024
  182    HB2  LEU  30           HB2      LEU  30  52.503 -17.557   0.816
  183    HB3  LEU  30           HB1      LEU  30  50.821 -17.327   0.336
  184    HG   LEU  30           HG       LEU  30  51.967 -17.743  -2.094
  185   HD11  LEU  30          HD11      LEU  30  54.144 -18.191  -0.751
  186   HD12  LEU  30          HD12      LEU  30  53.691 -19.351  -1.998
  187   HD13  LEU  30          HD13      LEU  30  53.380 -19.715  -0.301
  188   HD21  LEU  30          HD21      LEU  30  51.126 -20.082  -1.866
  189   HD22  LEU  30          HD22      LEU  30  49.984 -18.895  -1.237
  190   HD23  LEU  30          HD23      LEU  30  50.982 -19.833  -0.126
  191    H    ILE  31           HN       ILE  31  54.299 -14.607   0.102
  192    HA   ILE  31           HA       ILE  31  53.438 -13.844   2.785
  193    HB   ILE  31           HB       ILE  31  56.034 -12.860   1.789
  194   HG12  ILE  31          HG12      ILE  31  55.996 -14.985   0.595
  195   HG13  ILE  31          HG11      ILE  31  57.060 -15.139   1.989
  196   HG21  ILE  31          HG21      ILE  31  56.757 -13.682   3.974
  197   HG22  ILE  31          HG22      ILE  31  55.215 -14.510   4.198
  198   HG23  ILE  31          HG23      ILE  31  55.271 -12.747   4.153
  199   HD11  ILE  31          HD11      ILE  31  54.569 -15.860   3.000
  200   HD12  ILE  31          HD12      ILE  31  55.853 -16.971   2.532
  201   HD13  ILE  31          HD13      ILE  31  54.579 -16.563   1.383
  202    HA   PRO  32           HA       PRO  32  53.844  -9.572   0.785
  203    HB2  PRO  32           HB2      PRO  32  54.186  -9.349  -1.899
  204    HB3  PRO  32           HB1      PRO  32  55.537  -9.607  -0.781
  205    HG2  PRO  32           HG2      PRO  32  54.281 -11.475  -2.671
  206    HG3  PRO  32           HG1      PRO  32  55.916 -11.474  -1.996
  207    HD2  PRO  32           HD2      PRO  32  53.694 -13.072  -1.159
  208    HD3  PRO  32           HD1      PRO  32  55.306 -12.996  -0.419
  209    H    ALA  33           HN       ALA  33  51.599 -11.652   0.569
  210    HA   ALA  33           HA       ALA  33  49.702  -9.916  -0.882
  211    HB1  ALA  33           HB1      ALA  33  49.832 -12.938  -0.995
  212    HB2  ALA  33           HB2      ALA  33  50.131 -11.823  -2.328
  213    HB3  ALA  33           HB3      ALA  33  48.512 -11.965  -1.644
  214    H    ILE  34           HN       ILE  34  50.599 -11.010   2.013
  215    HA   ILE  34           HA       ILE  34  47.828 -11.028   3.035
  216    HB   ILE  34           HB       ILE  34  48.566 -12.667   4.762
  217   HG12  ILE  34          HG12      ILE  34  50.998 -12.926   2.963
  218   HG13  ILE  34          HG11      ILE  34  51.004 -12.178   4.561
  219   HG21  ILE  34          HG21      ILE  34  48.364 -14.586   3.319
  220   HG22  ILE  34          HG22      ILE  34  48.983 -13.681   1.938
  221   HG23  ILE  34          HG23      ILE  34  47.396 -13.296   2.605
  222   HD11  ILE  34          HD11      ILE  34  49.723 -14.706   4.814
  223   HD12  ILE  34          HD12      ILE  34  51.270 -14.203   5.497
  224   HD13  ILE  34          HD13      ILE  34  51.213 -14.959   3.905
  225    H    TYR  35           HN       TYR  35  51.207 -10.230   3.502
  226    HA   TYR  35           HA       TYR  35  50.834  -9.065   6.109
  227    HB2  TYR  35           HB2      TYR  35  53.037  -9.722   4.408
  228    HB3  TYR  35           HB1      TYR  35  53.165  -8.023   4.864
  229    HD1  TYR  35           HD2      TYR  35  53.291  -7.358   7.239
  230    HD2  TYR  35           HD1      TYR  35  53.200 -11.487   6.060
  231    HE1  TYR  35           HE2      TYR  35  54.058  -8.021   9.503
  232    HE2  TYR  35           HE1      TYR  35  53.967 -12.150   8.324
  233    HH   TYR  35           HH       TYR  35  55.288 -11.020  10.220
  234    H    MET  36           HN       MET  36  49.337  -8.148   3.559
  235    HA   MET  36           HA       MET  36  49.921  -5.258   3.843
  236    HB2  MET  36           HB2      MET  36  48.477  -6.403   1.478
  237    HB3  MET  36           HB1      MET  36  49.430  -4.923   1.594
  238    HG2  MET  36           HG2      MET  36  50.485  -7.765   1.611
  239    HG3  MET  36           HG1      MET  36  50.713  -6.560   0.344
  240    HE1  MET  36           HE1      MET  36  53.110  -5.127   0.329
  241    HE2  MET  36           HE2      MET  36  52.949  -3.950   1.629
  242    HE3  MET  36           HE3      MET  36  51.541  -4.382   0.662
  243    H    LEU  37           HN       LEU  37  47.258  -7.461   2.932
  244    HA   LEU  37           HA       LEU  37  45.231  -5.583   3.681
  245    HB2  LEU  37           HB2      LEU  37  44.900  -8.565   3.322
  246    HB3  LEU  37           HB1      LEU  37  43.671  -7.313   3.141
  247    HG   LEU  37           HG       LEU  37  46.135  -7.637   1.403
  248   HD11  LEU  37          HD11      LEU  37  43.189  -8.175   0.933
  249   HD12  LEU  37          HD12      LEU  37  44.508  -9.346   0.883
  250   HD13  LEU  37          HD13      LEU  37  44.386  -8.100  -0.360
  251   HD21  LEU  37          HD21      LEU  37  43.976  -5.554   1.605
  252   HD22  LEU  37          HD22      LEU  37  44.704  -5.901   0.036
  253   HD23  LEU  37          HD23      LEU  37  45.711  -5.337   1.370
  254    H    VAL  38           HN       VAL  38  47.345  -6.799   5.653
  255    HA   VAL  38           HA       VAL  38  45.413  -7.123   7.851
  256    HB   VAL  38           HB       VAL  38  47.854  -8.876   7.506
  257   HG11  VAL  38          HG11      VAL  38  46.672 -10.170   9.330
  258   HG12  VAL  38          HG12      VAL  38  45.549  -8.817   9.472
  259   HG13  VAL  38          HG13      VAL  38  47.261  -8.583   9.828
  260   HG21  VAL  38          HG21      VAL  38  46.336  -9.589   5.821
  261   HG22  VAL  38          HG22      VAL  38  44.934  -9.310   6.854
  262   HG23  VAL  38          HG23      VAL  38  46.020 -10.660   7.186
  263    H    PHE  39           HN       PHE  39  48.441  -6.012   6.631
  264    HA   PHE  39           HA       PHE  39  49.407  -5.200   9.269
  265    HB2  PHE  39           HB2      PHE  39  50.926  -6.128   7.459
  266    HB3  PHE  39           HB1      PHE  39  50.669  -4.617   6.587
  267    HD1  PHE  39           HD2      PHE  39  51.773  -5.974   9.892
  268    HD2  PHE  39           HD1      PHE  39  51.929  -2.699   7.117
  269    HE1  PHE  39           HE2      PHE  39  53.497  -4.872  11.291
  270    HE2  PHE  39           HE1      PHE  39  53.653  -1.595   8.517
  271    HZ   PHE  39           HZ       PHE  39  54.437  -2.682  10.604
  272    H    LEU  40           HN       LEU  40  46.946  -4.059   8.029
  273    HA   LEU  40           HA       LEU  40  47.724  -1.230   8.278
  274    HB2  LEU  40           HB2      LEU  40  46.290  -2.523   5.987
  275    HB3  LEU  40           HB1      LEU  40  45.877  -0.870   6.442
  276    HG   LEU  40           HG       LEU  40  48.773  -1.562   6.195
  277   HD11  LEU  40          HD11      LEU  40  48.399  -0.784   3.695
  278   HD12  LEU  40          HD12      LEU  40  46.790  -1.460   3.947
  279   HD13  LEU  40          HD13      LEU  40  48.215  -2.483   4.133
  280   HD21  LEU  40          HD21      LEU  40  47.252   0.867   5.227
  281   HD22  LEU  40          HD22      LEU  40  48.964   0.744   5.633
  282   HD23  LEU  40          HD23      LEU  40  47.748   0.690   6.911
  283    H    LEU  41           HN       LEU  41  45.779  -3.778   9.191
  284    HA   LEU  41           HA       LEU  41  43.778  -1.940  10.361
  285    HB2  LEU  41           HB2      LEU  41  42.357  -4.200  10.259
  286    HB3  LEU  41           HB1      LEU  41  42.374  -3.046   8.928
  287    HG   LEU  41           HG       LEU  41  44.487  -5.171   9.006
  288   HD11  LEU  41          HD11      LEU  41  41.621  -5.577   8.098
  289   HD12  LEU  41          HD12      LEU  41  42.431  -6.425   9.416
  290   HD13  LEU  41          HD13      LEU  41  42.951  -6.682   7.751
  291   HD21  LEU  41          HD21      LEU  41  44.668  -4.704   6.748
  292   HD22  LEU  41          HD22      LEU  41  44.052  -3.148   7.302
  293   HD23  LEU  41          HD23      LEU  41  42.954  -4.325   6.583
  294    H    GLY  42           HN       GLY  42  45.248  -5.178  10.644
  295    HA2  GLY  42           HA2      GLY  42  44.467  -5.777  13.246
  296    HA3  GLY  42           HA1      GLY  42  45.949  -6.359  12.494
  297    H    THR  43           HN       THR  43  46.334  -3.196  12.225
  298    HA   THR  43           HA       THR  43  47.323  -2.750  14.968
  299    HB   THR  43           HB       THR  43  49.315  -3.396  13.887
  300    HG1  THR  43           HG1      THR  43  50.066  -1.599  14.663
  301   HG21  THR  43          HG21      THR  43  49.088  -3.609  11.639
  302   HG22  THR  43          HG22      THR  43  49.690  -1.953  11.587
  303   HG23  THR  43          HG23      THR  43  47.953  -2.264  11.532
  304    H    THR  44           HN       THR  44  48.372  -0.592  12.565
  305    HA   THR  44           HA       THR  44  48.039   1.715  12.513
  306    HB   THR  44           HB       THR  44  46.778   0.909  10.619
  307    HG1  THR  44           HG1      THR  44  46.430   3.128  11.687
  308   HG21  THR  44          HG21      THR  44  44.306   0.451  10.915
  309   HG22  THR  44          HG22      THR  44  44.590   0.434  12.655
  310   HG23  THR  44          HG23      THR  44  45.371  -0.762  11.621
  311    H    GLY  45           HN       GLY  45  47.913   1.102  15.141
  312    HA2  GLY  45           HA2      GLY  45  47.264   2.605  16.906
  313    HA3  GLY  45           HA1      GLY  45  45.726   2.845  16.084
  314    H    ASN  46           HN       ASN  46  44.850   0.334  15.581
  315    HA   ASN  46           HA       ASN  46  43.667  -0.497  17.945
  316    HB2  ASN  46           HB2      ASN  46  44.301  -2.181  15.511
  317    HB3  ASN  46           HB1      ASN  46  43.124  -2.585  16.760
  318   HD21  ASN  46          HD21      ASN  46  42.120  -2.366  14.195
  319   HD22  ASN  46          HD22      ASN  46  41.238  -0.926  14.023
  320    H    GLY  47           HN       GLY  47  46.898  -0.811  17.055
  321    HA2  GLY  47           HA2      GLY  47  47.371  -3.242  18.616
  322    HA3  GLY  47           HA1      GLY  47  48.567  -2.362  17.671
  323    H    LEU  48           HN       LEU  48  47.914   0.237  18.761
  324    HA   LEU  48           HA       LEU  48  49.484   0.074  21.191
  325    HB2  LEU  48           HB2      LEU  48  48.238   2.619  20.227
  326    HB3  LEU  48           HB1      LEU  48  49.821   2.353  20.958
  327    HG   LEU  48           HG       LEU  48  48.968   1.577  18.154
  328   HD11  LEU  48          HD11      LEU  48  49.498   3.940  18.362
  329   HD12  LEU  48          HD12      LEU  48  50.839   3.135  17.547
  330   HD13  LEU  48          HD13      LEU  48  50.975   3.568  19.252
  331   HD21  LEU  48          HD21      LEU  48  51.288   0.789  19.870
  332   HD22  LEU  48          HD22      LEU  48  51.596   1.093  18.161
  333   HD23  LEU  48          HD23      LEU  48  50.437  -0.146  18.641
  334    H    VAL  49           HN       VAL  49  46.539  -0.825  20.897
  335    HA   VAL  49           HA       VAL  49  45.647   0.443  23.404
  336    HB   VAL  49           HB       VAL  49  43.785  -0.092  21.084
  337   HG11  VAL  49          HG11      VAL  49  43.333   0.325  23.802
  338   HG12  VAL  49          HG12      VAL  49  42.147   0.524  22.513
  339   HG13  VAL  49          HG13      VAL  49  43.071   1.914  23.083
  340   HG21  VAL  49          HG21      VAL  49  45.415   1.667  20.477
  341   HG22  VAL  49          HG22      VAL  49  45.047   2.523  21.975
  342   HG23  VAL  49          HG23      VAL  49  43.810   2.354  20.729
  343    H    LEU  50           HN       LEU  50  45.470  -2.247  21.139
  344    HA   LEU  50           HA       LEU  50  44.163  -3.905  23.196
  345    HB2  LEU  50           HB2      LEU  50  43.192  -3.807  20.874
  346    HB3  LEU  50           HB1      LEU  50  44.661  -4.592  20.294
  347    HG   LEU  50           HG       LEU  50  43.855  -6.128  22.496
  348   HD11  LEU  50          HD11      LEU  50  41.523  -6.675  22.031
  349   HD12  LEU  50          HD12      LEU  50  41.488  -5.523  20.697
  350   HD13  LEU  50          HD13      LEU  50  41.656  -4.947  22.354
  351   HD21  LEU  50          HD21      LEU  50  43.529  -6.492  19.504
  352   HD22  LEU  50          HD22      LEU  50  43.260  -7.786  20.673
  353   HD23  LEU  50          HD23      LEU  50  44.860  -7.062  20.511
  354    H    TRP  51           HN       TRP  51  46.737  -4.251  20.737
  355    HA   TRP  51           HA       TRP  51  47.924  -6.527  21.903
  356    HB2  TRP  51           HB2      TRP  51  48.538  -6.146  19.679
  357    HB3  TRP  51           HB1      TRP  51  48.876  -4.439  19.963
  358    HD1  TRP  51           HD1      TRP  51  51.276  -3.786  20.601
  359    HE1  TRP  51           HE1      TRP  51  53.447  -5.095  21.074
  360    HE3  TRP  51           HE3      TRP  51  49.426  -8.544  20.744
  361    HZ2  TRP  51           HZ2      TRP  51  54.288  -7.801  21.460
  362    HZ3  TRP  51           HZ3      TRP  51  50.933 -10.466  21.165
  363    HH2  TRP  51           HH2      TRP  51  53.359 -10.101  21.522
  364    H    THR  52           HN       THR  52  48.022  -3.207  22.774
  365    HA   THR  52           HA       THR  52  50.548  -3.239  24.133
  366    HB   THR  52           HB       THR  52  49.248  -1.192  23.275
  367    HG1  THR  52           HG1      THR  52  50.190   0.035  24.862
  368   HG21  THR  52          HG21      THR  52  47.946  -1.312  25.988
  369   HG22  THR  52          HG22      THR  52  47.157  -2.015  24.575
  370   HG23  THR  52          HG23      THR  52  47.532  -0.292  24.609
  371    H    VAL  53           HN       VAL  53  47.237  -3.995  24.981
  372    HA   VAL  53           HA       VAL  53  47.570  -3.981  27.808
  373    HB   VAL  53           HB       VAL  53  45.599  -5.732  26.360
  374   HG11  VAL  53          HG11      VAL  53  44.188  -5.139  28.268
  375   HG12  VAL  53          HG12      VAL  53  45.421  -4.027  28.863
  376   HG13  VAL  53          HG13      VAL  53  45.733  -5.763  28.846
  377   HG21  VAL  53          HG21      VAL  53  45.433  -3.666  25.155
  378   HG22  VAL  53          HG22      VAL  53  45.607  -2.716  26.631
  379   HG23  VAL  53          HG23      VAL  53  44.132  -3.640  26.346
  380    H    PHE  54           HN       PHE  54  48.009  -6.424  25.305
  381    HA   PHE  54           HA       PHE  54  48.679  -8.450  27.314
  382    HB2  PHE  54           HB2      PHE  54  47.982  -8.469  24.421
  383    HB3  PHE  54           HB1      PHE  54  49.058  -9.741  24.998
  384    HD1  PHE  54           HD1      PHE  54  46.222  -7.972  26.690
  385    HD2  PHE  54           HD2      PHE  54  47.771 -11.692  25.202
  386    HE1  PHE  54           HE1      PHE  54  44.283  -9.169  27.665
  387    HE2  PHE  54           HE2      PHE  54  45.831 -12.890  26.179
  388    HZ   PHE  54           HZ       PHE  54  44.087 -11.628  27.410
  389    H    ARG  55           HN       ARG  55  50.312  -5.971  26.423
  390    HA   ARG  55           HA       ARG  55  52.852  -7.439  26.058
  391    HB2  ARG  55           HB2      ARG  55  52.111  -6.270  23.955
  392    HB3  ARG  55           HB1      ARG  55  52.202  -4.748  24.837
  393    HG2  ARG  55           HG2      ARG  55  54.286  -5.065  23.621
  394    HG3  ARG  55           HG1      ARG  55  54.603  -5.227  25.346
  395    HD2  ARG  55           HD2      ARG  55  53.900  -7.731  23.904
  396    HD3  ARG  55           HD1      ARG  55  55.463  -7.022  23.516
  397    HE   ARG  55           HE       ARG  55  55.215  -7.063  26.310
  398   HH11  ARG  55          HH21      ARG  55  55.392  -9.230  23.618
  399   HH12  ARG  55          HH22      ARG  55  56.153 -10.502  24.514
  400   HH21  ARG  55          HH11      ARG  55  56.214  -8.727  27.492
  401   HH22  ARG  55          HH12      ARG  55  56.618 -10.217  26.708
  402    H    LYS  56           HN       LYS  56  51.234  -4.519  27.235
  403    HA   LYS  56           HA       LYS  56  53.476  -3.406  28.566
  404    HB2  LYS  56           HB2      LYS  56  51.809  -2.053  29.781
  405    HB3  LYS  56           HB1      LYS  56  51.475  -2.085  28.050
  406    HG2  LYS  56           HG2      LYS  56  49.381  -2.719  28.636
  407    HG3  LYS  56           HG1      LYS  56  50.096  -4.296  28.971
  408    HD2  LYS  56           HD2      LYS  56  50.515  -3.609  31.307
  409    HD3  LYS  56           HD1      LYS  56  49.785  -2.039  30.972
  410    HE2  LYS  56           HE2      LYS  56  47.722  -3.405  30.187
  411    HE3  LYS  56           HE1      LYS  56  48.460  -4.744  31.065
  412    HZ1  LYS  56           HZ1      LYS  56  47.184  -2.361  32.072
  413    HZ2  LYS  56           HZ2      LYS  56  48.658  -2.730  32.832
  414    HZ3  LYS  56           HZ3      LYS  56  47.400  -3.871  32.811
  415    H    LYS  57           HN       LYS  57  51.744  -6.207  29.186
  416    HA   LYS  57           HA       LYS  57  51.489  -6.314  31.956
  417    HB2  LYS  57           HB2      LYS  57  52.294  -8.558  30.089
  418    HB3  LYS  57           HB1      LYS  57  51.637  -8.752  31.715
  419    HG2  LYS  57           HG2      LYS  57  49.983  -6.999  30.069
  420    HG3  LYS  57           HG1      LYS  57  50.152  -8.606  29.363
  421    HD2  LYS  57           HD2      LYS  57  49.427  -9.638  31.458
  422    HD3  LYS  57           HD1      LYS  57  49.338  -8.056  32.233
  423    HE2  LYS  57           HE2      LYS  57  47.663  -7.391  30.451
  424    HE3  LYS  57           HE1      LYS  57  47.636  -9.082  29.949
  425    HZ1  LYS  57           HZ1      LYS  57  46.216  -7.896  32.027
  426    HZ2  LYS  57           HZ2      LYS  57  47.354  -8.935  32.743
  427    HZ3  LYS  57           HZ3      LYS  57  46.254  -9.537  31.597
  428    H    GLY  58           HN       GLY  58  54.334  -6.670  29.929
  429    HA2  GLY  58           HA2      GLY  58  56.103  -6.155  32.116
  430    HA3  GLY  58           HA1      GLY  58  56.148  -7.851  31.644
  431    H    HIS  59           HN       HIS  59  56.718  -4.553  30.557
  432    HA   HIS  59           HA       HIS  59  57.580  -5.042  27.944
  433    HB2  HIS  59           HB2      HIS  59  57.479  -2.840  29.670
  434    HB3  HIS  59           HB1      HIS  59  59.181  -2.999  29.232
  435    HD2  HIS  59           HD2      HIS  59  55.790  -3.096  27.109
  436    HE1  HIS  59           HE1      HIS  59  58.768  -1.051  24.923
  437    HE2  HIS  59           HE2      HIS  59  56.346  -1.817  24.901
  438    H    HIS  60           HN       HIS  60  59.079  -5.769  30.968
  439    HA   HIS  60           HA       HIS  60  61.398  -6.866  29.528
  440    HB2  HIS  60           HB2      HIS  60  62.696  -5.216  30.343
  441    HB3  HIS  60           HB1      HIS  60  61.434  -4.658  31.441
  442    HD2  HIS  60           HD2      HIS  60  61.472  -5.901  34.031
  443    HE1  HIS  60           HE1      HIS  60  65.195  -7.817  33.485
  444    HE2  HIS  60           HE2      HIS  60  63.408  -7.218  35.187
  445    H    HIS  61           HN       HIS  61  59.420  -6.746  32.445
  446    HA   HIS  61           HA       HIS  61  60.622  -9.020  33.697
  447    HB2  HIS  61           HB2      HIS  61  58.034  -7.531  34.125
  448    HB3  HIS  61           HB1      HIS  61  58.457  -8.964  35.063
  449    HD2  HIS  61           HD2      HIS  61  61.249  -8.588  36.259
  450    HE1  HIS  61           HE1      HIS  61  60.537  -4.453  36.734
  451    HE2  HIS  61           HE2      HIS  61  62.035  -6.386  37.421
  452    H    HIS  62           HN       HIS  62  60.092  -9.650  31.026
  453    HA   HIS  62           HA       HIS  62  57.740 -10.902  30.362
  454    HB2  HIS  62           HB2      HIS  62  59.497 -12.644  29.284
  455    HB3  HIS  62           HB1      HIS  62  59.182 -11.047  28.604
  456    HD2  HIS  62           HD2      HIS  62  61.569  -9.745  28.185
  457    HE1  HIS  62           HE1      HIS  62  63.755 -11.406  31.392
  458    HE2  HIS  62           HE2      HIS  62  63.865  -9.800  29.428
  459    H    HIS  63           HN       HIS  63  60.399 -13.078  31.103
  460    HA   HIS  63           HA       HIS  63  59.020 -14.291  33.347
  461    HB2  HIS  63           HB2      HIS  63  57.778 -15.420  31.675
  462    HB3  HIS  63           HB1      HIS  63  59.202 -15.647  30.659
  463    HD2  HIS  63           HD2      HIS  63  60.796 -17.875  31.331
  464    HE1  HIS  63           HE1      HIS  63  58.465 -19.170  34.604
  465    HE2  HIS  63           HE2      HIS  63  60.406 -19.773  33.082
  466    H    HIS  64           HN       HIS  64  60.607 -14.684  34.738
  467    HA   HIS  64           HA       HIS  64  63.078 -15.949  33.761
  468    HB2  HIS  64           HB2      HIS  64  63.758 -13.676  33.900
  469    HB3  HIS  64           HB1      HIS  64  62.892 -13.431  35.416
  470    HD2  HIS  64           HD2      HIS  64  64.136 -14.733  37.702
  471    HE1  HIS  64           HE1      HIS  64  67.831 -15.336  35.750
  472    HE2  HIS  64           HE2      HIS  64  66.647 -15.388  37.996
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  36.523 -18.781 -16.017
    2    H2   MET   1           HT2      MET   1  37.065 -19.804 -14.774
    3    H3   MET   1           HT3      MET   1  36.582 -20.457 -16.266
    4    HA   MET   1           HA       MET   1  38.639 -20.318 -17.020
    5    HB2  MET   1           HB2      MET   1  39.628 -18.081 -17.364
    6    HB3  MET   1           HB1      MET   1  37.925 -18.095 -17.822
    7    HG2  MET   1           HG2      MET   1  37.855 -17.464 -15.118
    8    HG3  MET   1           HG1      MET   1  39.265 -16.584 -15.706
    9    HE1  MET   1           HE1      MET   1  38.915 -14.267 -16.004
   10    HE2  MET   1           HE2      MET   1  37.679 -14.532 -14.778
   11    HE3  MET   1           HE3      MET   1  37.330 -13.498 -16.162
   12    H    GLU   2           HN       GLU   2  40.965 -19.791 -16.403
   13    HA   GLU   2           HA       GLU   2  41.258 -20.215 -13.506
   14    HB2  GLU   2           HB2      GLU   2  43.301 -20.598 -15.708
   15    HB3  GLU   2           HB1      GLU   2  43.451 -21.112 -14.026
   16    HG2  GLU   2           HG2      GLU   2  41.000 -22.172 -14.940
   17    HG3  GLU   2           HG1      GLU   2  42.165 -22.472 -16.229
   18    H    GLU   3           HN       GLU   3  40.751 -17.574 -14.700
   19    HA   GLU   3           HA       GLU   3  41.549 -15.414 -14.633
   20    HB2  GLU   3           HB2      GLU   3  43.255 -16.440 -12.360
   21    HB3  GLU   3           HB1      GLU   3  42.633 -14.806 -12.591
   22    HG2  GLU   3           HG2      GLU   3  40.334 -16.321 -12.676
   23    HG3  GLU   3           HG1      GLU   3  41.300 -17.176 -11.474
   24    H    GLY   4           HN       GLY   4  42.719 -16.471 -16.695
   25    HA2  GLY   4           HA2      GLY   4  45.490 -15.505 -16.537
   26    HA3  GLY   4           HA1      GLY   4  45.210 -17.128 -17.160
   27    H    GLY   5           HN       GLY   5  43.556 -17.251 -18.971
   28    HA2  GLY   5           HA2      GLY   5  43.228 -16.774 -21.214
   29    HA3  GLY   5           HA1      GLY   5  42.646 -15.242 -20.567
   30    H    ASP   6           HN       ASP   6  43.568 -13.530 -21.480
   31    HA   ASP   6           HA       ASP   6  46.461 -13.546 -21.978
   32    HB2  ASP   6           HB2      ASP   6  44.319 -13.140 -24.048
   33    HB3  ASP   6           HB1      ASP   6  45.896 -12.374 -24.223
   34    H    PHE   7           HN       PHE   7  44.182 -12.189 -20.311
   35    HA   PHE   7           HA       PHE   7  45.323  -9.489 -20.561
   36    HB2  PHE   7           HB2      PHE   7  42.937  -9.904 -21.663
   37    HB3  PHE   7           HB1      PHE   7  42.404  -9.710 -19.993
   38    HD1  PHE   7           HD2      PHE   7  44.519  -8.099 -22.624
   39    HD2  PHE   7           HD1      PHE   7  42.202  -7.565 -19.047
   40    HE1  PHE   7           HE2      PHE   7  44.773  -5.640 -22.827
   41    HE2  PHE   7           HE1      PHE   7  42.457  -5.106 -19.250
   42    HZ   PHE   7           HZ       PHE   7  43.742  -4.144 -21.140
   43    H    ASP   8           HN       ASP   8  46.050 -11.409 -18.684
   44    HA   ASP   8           HA       ASP   8  45.191 -10.075 -16.224
   45    HB2  ASP   8           HB2      ASP   8  43.665 -11.991 -16.435
   46    HB3  ASP   8           HB1      ASP   8  45.045 -13.077 -16.595
   47    H    ASN   9           HN       ASN   9  47.561  -9.556 -17.239
   48    HA   ASN   9           HA       ASN   9  49.396 -10.914 -15.412
   49    HB2  ASN   9           HB2      ASN   9  49.388 -12.013 -17.774
   50    HB3  ASN   9           HB1      ASN   9  50.259 -10.561 -18.267
   51   HD21  ASN   9          HD21      ASN   9  51.307 -10.615 -15.263
   52   HD22  ASN   9          HD22      ASN   9  52.613 -11.695 -15.367
   53    H    TYR  10           HN       TYR  10  48.636  -8.293 -17.603
   54    HA   TYR  10           HA       TYR  10  50.969  -6.735 -16.854
   55    HB2  TYR  10           HB2      TYR  10  50.330  -6.282 -19.048
   56    HB3  TYR  10           HB1      TYR  10  48.609  -6.311 -18.660
   57    HD1  TYR  10           HD1      TYR  10  51.730  -4.336 -18.411
   58    HD2  TYR  10           HD2      TYR  10  47.483  -4.370 -17.771
   59    HE1  TYR  10           HE1      TYR  10  51.761  -1.878 -18.080
   60    HE2  TYR  10           HE2      TYR  10  47.513  -1.912 -17.439
   61    HH   TYR  10           HH       TYR  10  49.787  -0.197 -16.619
   62    H    TYR  11           HN       TYR  11  47.919  -7.359 -15.542
   63    HA   TYR  11           HA       TYR  11  47.232  -4.849 -14.441
   64    HB2  TYR  11           HB2      TYR  11  46.509  -7.687 -13.915
   65    HB3  TYR  11           HB1      TYR  11  46.172  -6.519 -12.638
   66    HD1  TYR  11           HD1      TYR  11  46.130  -6.118 -16.359
   67    HD2  TYR  11           HD2      TYR  11  43.860  -6.106 -12.713
   68    HE1  TYR  11           HE1      TYR  11  44.136  -5.330 -17.605
   69    HE2  TYR  11           HE2      TYR  11  41.865  -5.317 -13.958
   70    HH   TYR  11           HH       TYR  11  41.943  -3.947 -16.873
   71    H    GLY  12           HN       GLY  12  49.403  -4.110 -13.814
   72    HA2  GLY  12           HA2      GLY  12  49.891  -3.800 -11.202
   73    HA3  GLY  12           HA1      GLY  12  50.623  -5.376 -11.491
   74    H    ALA  13           HN       ALA  13  52.250  -5.489 -13.253
   75    HA   ALA  13           HA       ALA  13  53.486  -3.044 -14.153
   76    HB1  ALA  13           HB1      ALA  13  55.048  -4.771 -12.223
   77    HB2  ALA  13           HB2      ALA  13  54.283  -3.246 -11.778
   78    HB3  ALA  13           HB3      ALA  13  55.576  -3.267 -12.977
   79    H    ASP  14           HN       ASP  14  53.702  -6.539 -13.684
   80    HA   ASP  14           HA       ASP  14  54.212  -8.201 -15.205
   81    HB2  ASP  14           HB2      ASP  14  53.317  -6.264 -16.840
   82    HB3  ASP  14           HB1      ASP  14  55.004  -6.311 -17.353
   83    H    ASN  15           HN       ASN  15  56.166  -6.306 -13.661
   84    HA   ASN  15           HA       ASN  15  58.441  -6.091 -13.361
   85    HB2  ASN  15           HB2      ASN  15  58.659  -8.808 -14.639
   86    HB3  ASN  15           HB1      ASN  15  59.616  -8.131 -13.321
   87   HD21  ASN  15          HD21      ASN  15  57.537 -10.531 -13.676
   88   HD22  ASN  15          HD22      ASN  15  56.611 -10.395 -12.260
   89    H    GLN  16           HN       GLN  16  58.870  -4.438 -14.845
   90    HA   GLN  16           HA       GLN  16  59.271  -4.858 -17.624
   91    HB2  GLN  16           HB2      GLN  16  60.437  -2.655 -15.908
   92    HB3  GLN  16           HB1      GLN  16  60.172  -2.617 -17.652
   93    HG2  GLN  16           HG2      GLN  16  58.114  -1.797 -17.268
   94    HG3  GLN  16           HG1      GLN  16  57.692  -3.331 -16.510
   95   HE21  GLN  16          HE21      GLN  16  58.930  -3.373 -14.113
   96   HE22  GLN  16          HE22      GLN  16  58.552  -2.008 -13.177
   97    H    SER  17           HN       SER  17  61.221  -5.471 -14.864
   98    HA   SER  17           HA       SER  17  63.209  -6.849 -16.279
   99    HB2  SER  17           HB2      SER  17  63.632  -3.951 -16.052
  100    HB3  SER  17           HB1      SER  17  64.980  -4.919 -15.461
  101    HG   SER  17           HG       SER  17  63.771  -5.673 -17.861
  102    H    GLU  18           HN       GLU  18  62.265  -5.025 -13.446
  103    HA   GLU  18           HA       GLU  18  64.223  -6.103 -11.671
  104    HB2  GLU  18           HB2      GLU  18  63.037  -5.021  -9.953
  105    HB3  GLU  18           HB1      GLU  18  62.744  -4.007 -11.365
  106    HG2  GLU  18           HG2      GLU  18  60.660  -5.573 -11.704
  107    HG3  GLU  18           HG1      GLU  18  60.881  -5.916  -9.989
  108    H    CYS  19           HN       CYS  19  62.843  -7.055  -9.511
  109    HA   CYS  19           HA       CYS  19  62.092  -9.037  -8.625
  110    HB2  CYS  19           HB2      CYS  19  60.140  -8.102 -10.476
  111    HB3  CYS  19           HB1      CYS  19  60.228  -9.856 -10.625
  112    HG   CYS  19           HG       CYS  19  59.554 -10.116  -8.176
  113    H    GLU  20           HN       GLU  20  64.003  -8.920 -11.172
  114    HA   GLU  20           HA       GLU  20  63.796 -11.737 -11.968
  115    HB2  GLU  20           HB2      GLU  20  64.187  -9.739 -13.586
  116    HB3  GLU  20           HB1      GLU  20  65.851  -9.803 -13.002
  117    HG2  GLU  20           HG2      GLU  20  65.497 -12.417 -13.490
  118    HG3  GLU  20           HG1      GLU  20  64.345 -11.772 -14.658
  119    H    TYR  21           HN       TYR  21  64.422 -11.932  -9.481
  120    HA   TYR  21           HA       TYR  21  67.307 -12.508  -9.458
  121    HB2  TYR  21           HB2      TYR  21  66.160 -10.384  -8.037
  122    HB3  TYR  21           HB1      TYR  21  66.394 -11.662  -6.844
  123    HD1  TYR  21           HD1      TYR  21  68.120  -9.695  -9.498
  124    HD2  TYR  21           HD2      TYR  21  68.562 -12.233  -6.061
  125    HE1  TYR  21           HE1      TYR  21  70.552  -9.212  -9.453
  126    HE2  TYR  21           HE2      TYR  21  70.994 -11.750  -6.017
  127    HH   TYR  21           HH       TYR  21  72.629 -10.473  -6.861
  128    H    THR  22           HN       THR  22  64.472 -13.861  -9.484
  129    HA   THR  22           HA       THR  22  63.787 -15.984  -8.876
  130    HB   THR  22           HB       THR  22  65.946 -16.375  -6.879
  131    HG1  THR  22           HG1      THR  22  67.010 -16.923  -9.199
  132   HG21  THR  22          HG21      THR  22  64.923 -18.012  -9.215
  133   HG22  THR  22          HG22      THR  22  64.354 -18.152  -7.552
  134   HG23  THR  22          HG23      THR  22  66.018 -18.575  -7.953
  135    H    ASP  23           HN       ASP  23  62.904 -13.594  -7.601
  136    HA   ASP  23           HA       ASP  23  62.019 -14.741  -5.045
  137    HB2  ASP  23           HB2      ASP  23  63.311 -12.036  -5.409
  138    HB3  ASP  23           HB1      ASP  23  62.295 -12.427  -4.021
  139    H    TRP  24           HN       TRP  24  60.993 -13.995  -7.864
  140    HA   TRP  24           HA       TRP  24  58.811 -12.178  -7.084
  141    HB2  TRP  24           HB2      TRP  24  58.406 -11.876  -9.435
  142    HB3  TRP  24           HB1      TRP  24  60.143 -11.721  -9.172
  143    HD1  TRP  24           HD1      TRP  24  61.575 -14.091  -9.581
  144    HE1  TRP  24           HE1      TRP  24  61.249 -15.833 -11.454
  145    HE3  TRP  24           HE3      TRP  24  56.812 -12.952 -11.027
  146    HZ2  TRP  24           HZ2      TRP  24  59.235 -16.637 -13.318
  147    HZ3  TRP  24           HZ3      TRP  24  55.714 -14.221 -12.852
  148    HH2  TRP  24           HH2      TRP  24  56.920 -16.059 -13.998
  149    H    LYS  25           HN       LYS  25  59.361 -15.334  -6.849
  150    HA   LYS  25           HA       LYS  25  56.527 -15.995  -7.191
  151    HB2  LYS  25           HB2      LYS  25  57.423 -18.272  -8.158
  152    HB3  LYS  25           HB1      LYS  25  57.182 -16.891  -9.225
  153    HG2  LYS  25           HG2      LYS  25  59.385 -17.983  -9.592
  154    HG3  LYS  25           HG1      LYS  25  59.556 -16.311  -9.059
  155    HD2  LYS  25           HD2      LYS  25  60.160 -16.956  -6.860
  156    HD3  LYS  25           HD1      LYS  25  59.572 -18.602  -7.094
  157    HE2  LYS  25           HE2      LYS  25  61.924 -17.381  -8.566
  158    HE3  LYS  25           HE1      LYS  25  62.055 -18.473  -7.188
  159    HZ1  LYS  25           HZ1      LYS  25  61.288 -19.037  -9.939
  160    HZ2  LYS  25           HZ2      LYS  25  60.452 -19.889  -8.731
  161    HZ3  LYS  25           HZ3      LYS  25  62.145 -19.996  -8.834
  162    H    SER  26           HN       SER  26  58.764 -15.666  -5.066
  163    HA   SER  26           HA       SER  26  57.999 -18.074  -3.552
  164    HB2  SER  26           HB2      SER  26  60.132 -18.750  -3.144
  165    HB3  SER  26           HB1      SER  26  60.469 -17.910  -4.655
  166    HG   SER  26           HG       SER  26  61.647 -16.598  -3.530
  167    H    SER  27           HN       SER  27  59.746 -14.969  -3.324
  168    HA   SER  27           HA       SER  27  58.665 -14.618  -0.608
  169    HB2  SER  27           HB2      SER  27  60.403 -12.496  -1.222
  170    HB3  SER  27           HB1      SER  27  60.734 -13.878  -0.182
  171    HG   SER  27           HG       SER  27  61.862 -13.293  -2.475
  172    H    GLY  28           HN       GLY  28  57.429 -14.118  -3.439
  173    HA2  GLY  28           HA2      GLY  28  56.067 -11.660  -2.644
  174    HA3  GLY  28           HA1      GLY  28  56.931 -11.609  -4.177
  175    H    ALA  29           HN       ALA  29  55.173 -14.345  -2.774
  176    HA   ALA  29           HA       ALA  29  53.059 -14.049  -4.791
  177    HB1  ALA  29           HB1      ALA  29  53.373 -16.665  -5.055
  178    HB2  ALA  29           HB2      ALA  29  55.037 -16.280  -4.611
  179    HB3  ALA  29           HB3      ALA  29  54.309 -15.537  -6.035
  180    H    LEU  30           HN       LEU  30  54.146 -14.967  -1.699
  181    HA   LEU  30           HA       LEU  30  51.409 -15.777  -0.973
  182    HB2  LEU  30           HB2      LEU  30  52.598 -17.427   0.656
  183    HB3  LEU  30           HB1      LEU  30  52.397 -17.895  -1.033
  184    HG   LEU  30           HG       LEU  30  54.855 -16.358  -0.410
  185   HD11  LEU  30          HD11      LEU  30  54.733 -17.839   1.549
  186   HD12  LEU  30          HD12      LEU  30  56.008 -18.375   0.455
  187   HD13  LEU  30          HD13      LEU  30  54.464 -19.228   0.495
  188   HD21  LEU  30          HD21      LEU  30  54.520 -18.975  -1.889
  189   HD22  LEU  30          HD22      LEU  30  55.773 -17.752  -2.106
  190   HD23  LEU  30          HD23      LEU  30  54.122 -17.428  -2.638
  191    H    ILE  31           HN       ILE  31  54.306 -14.086  -0.309
  192    HA   ILE  31           HA       ILE  31  53.795 -13.675   2.504
  193    HB   ILE  31           HB       ILE  31  55.639 -11.935   0.909
  194   HG12  ILE  31          HG12      ILE  31  56.081 -14.188   0.053
  195   HG13  ILE  31          HG11      ILE  31  57.385 -13.700   1.133
  196   HG21  ILE  31          HG21      ILE  31  55.798 -13.231   3.644
  197   HG22  ILE  31          HG22      ILE  31  55.324 -11.562   3.328
  198   HG23  ILE  31          HG23      ILE  31  56.967 -12.095   2.971
  199   HD11  ILE  31          HD11      ILE  31  56.253 -14.955   2.987
  200   HD12  ILE  31          HD12      ILE  31  56.753 -15.991   1.653
  201   HD13  ILE  31          HD13      ILE  31  55.062 -15.529   1.821
  202    HA   PRO  32           HA       PRO  32  52.240  -9.474   0.956
  203    HB2  PRO  32           HB2      PRO  32  51.716  -9.107  -1.679
  204    HB3  PRO  32           HB1      PRO  32  53.341  -8.915  -0.995
  205    HG2  PRO  32           HG2      PRO  32  52.258 -11.064  -2.682
  206    HG3  PRO  32           HG1      PRO  32  53.929 -10.526  -2.465
  207    HD2  PRO  32           HD2      PRO  32  52.659 -12.788  -1.249
  208    HD3  PRO  32           HD1      PRO  32  54.309 -12.196  -0.970
  209    H    ALA  33           HN       ALA  33  50.827 -12.190   1.114
  210    HA   ALA  33           HA       ALA  33  48.147 -11.229   0.305
  211    HB1  ALA  33           HB1      ALA  33  47.558 -13.288  -0.562
  212    HB2  ALA  33           HB2      ALA  33  48.741 -14.157   0.416
  213    HB3  ALA  33           HB3      ALA  33  49.266 -13.241  -0.996
  214    H    ILE  34           HN       ILE  34  50.100 -11.837   2.842
  215    HA   ILE  34           HA       ILE  34  47.811 -12.426   4.596
  216    HB   ILE  34           HB       ILE  34  50.180 -13.628   5.684
  217   HG12  ILE  34          HG12      ILE  34  49.370 -14.585   2.916
  218   HG13  ILE  34          HG11      ILE  34  50.910 -13.830   3.332
  219   HG21  ILE  34          HG21      ILE  34  47.635 -14.890   4.621
  220   HG22  ILE  34          HG22      ILE  34  47.774 -14.126   6.204
  221   HG23  ILE  34          HG23      ILE  34  48.721 -15.566   5.834
  222   HD11  ILE  34          HD11      ILE  34  51.240 -16.228   3.304
  223   HD12  ILE  34          HD12      ILE  34  49.848 -16.476   4.358
  224   HD13  ILE  34          HD13      ILE  34  51.297 -15.688   4.982
  225    H    TYR  35           HN       TYR  35  51.087 -11.184   4.208
  226    HA   TYR  35           HA       TYR  35  51.095  -9.944   6.834
  227    HB2  TYR  35           HB2      TYR  35  53.029 -10.446   4.700
  228    HB3  TYR  35           HB1      TYR  35  53.188  -8.838   5.407
  229    HD1  TYR  35           HD1      TYR  35  52.854 -12.449   6.329
  230    HD2  TYR  35           HD2      TYR  35  54.243  -8.553   7.491
  231    HE1  TYR  35           HE1      TYR  35  53.949 -13.434   8.325
  232    HE2  TYR  35           HE2      TYR  35  55.337  -9.539   9.487
  233    HH   TYR  35           HH       TYR  35  54.681 -12.661  10.587
  234    H    MET  36           HN       MET  36  49.476  -9.247   4.106
  235    HA   MET  36           HA       MET  36  49.892  -6.335   4.253
  236    HB2  MET  36           HB2      MET  36  48.381  -8.005   2.229
  237    HB3  MET  36           HB1      MET  36  48.604  -6.257   2.153
  238    HG2  MET  36           HG2      MET  36  50.981  -8.092   2.385
  239    HG3  MET  36           HG1      MET  36  50.247  -7.768   0.814
  240    HE1  MET  36           HE1      MET  36  53.191  -7.141   1.224
  241    HE2  MET  36           HE2      MET  36  52.968  -6.962   2.963
  242    HE3  MET  36           HE3      MET  36  53.640  -5.629   2.026
  243    H    LEU  37           HN       LEU  37  47.187  -8.660   4.023
  244    HA   LEU  37           HA       LEU  37  45.278  -6.726   4.980
  245    HB2  LEU  37           HB2      LEU  37  45.047  -9.721   4.595
  246    HB3  LEU  37           HB1      LEU  37  43.703  -8.633   4.942
  247    HG   LEU  37           HG       LEU  37  45.457  -7.907   2.648
  248   HD11  LEU  37          HD11      LEU  37  43.536 -10.249   2.652
  249   HD12  LEU  37          HD12      LEU  37  45.241 -10.262   2.201
  250   HD13  LEU  37          HD13      LEU  37  44.066  -9.435   1.178
  251   HD21  LEU  37          HD21      LEU  37  43.375  -7.081   1.754
  252   HD22  LEU  37          HD22      LEU  37  43.428  -6.617   3.454
  253   HD23  LEU  37          HD23      LEU  37  42.442  -7.988   2.944
  254    H    VAL  38           HN       VAL  38  47.699  -7.850   6.615
  255    HA   VAL  38           HA       VAL  38  46.160  -8.120   9.113
  256    HB   VAL  38           HB       VAL  38  48.572  -9.821   8.459
  257   HG11  VAL  38          HG11      VAL  38  48.472 -10.453  10.622
  258   HG12  VAL  38          HG12      VAL  38  46.736 -10.749  10.511
  259   HG13  VAL  38          HG13      VAL  38  47.332  -9.131  10.882
  260   HG21  VAL  38          HG21      VAL  38  46.643 -10.415   7.020
  261   HG22  VAL  38          HG22      VAL  38  45.628 -10.560   8.455
  262   HG23  VAL  38          HG23      VAL  38  46.971 -11.676   8.208
  263    H    PHE  39           HN       PHE  39  49.622  -8.321   8.321
  264    HA   PHE  39           HA       PHE  39  50.660  -6.944  10.426
  265    HB2  PHE  39           HB2      PHE  39  51.709  -7.930   8.131
  266    HB3  PHE  39           HB1      PHE  39  51.857  -6.199   7.825
  267    HD1  PHE  39           HD1      PHE  39  52.564  -8.816  10.404
  268    HD2  PHE  39           HD2      PHE  39  53.585  -4.953   8.824
  269    HE1  PHE  39           HE1      PHE  39  54.521  -8.711  11.924
  270    HE2  PHE  39           HE2      PHE  39  55.543  -4.849  10.344
  271    HZ   PHE  39           HZ       PHE  39  56.010  -6.728  11.893
  272    H    LEU  40           HN       LEU  40  49.251  -5.546   7.494
  273    HA   LEU  40           HA       LEU  40  49.572  -2.850   8.639
  274    HB2  LEU  40           HB2      LEU  40  49.013  -3.852   5.849
  275    HB3  LEU  40           HB1      LEU  40  48.791  -2.160   6.298
  276    HG   LEU  40           HG       LEU  40  51.362  -3.376   7.135
  277   HD11  LEU  40          HD11      LEU  40  52.314  -3.033   4.834
  278   HD12  LEU  40          HD12      LEU  40  50.667  -2.853   4.230
  279   HD13  LEU  40          HD13      LEU  40  51.184  -4.384   4.934
  280   HD21  LEU  40          HD21      LEU  40  50.805  -0.820   5.613
  281   HD22  LEU  40          HD22      LEU  40  52.181  -1.186   6.652
  282   HD23  LEU  40          HD23      LEU  40  50.583  -0.939   7.358
  283    H    LEU  41           HN       LEU  41  47.681  -4.474   9.882
  284    HA   LEU  41           HA       LEU  41  45.322  -2.864   9.571
  285    HB2  LEU  41           HB2      LEU  41  44.822  -4.354   7.760
  286    HB3  LEU  41           HB1      LEU  41  45.284  -5.764   8.711
  287    HG   LEU  41           HG       LEU  41  43.378  -5.507  10.165
  288   HD11  LEU  41          HD11      LEU  41  43.113  -2.838   8.782
  289   HD12  LEU  41          HD12      LEU  41  43.193  -3.173  10.511
  290   HD13  LEU  41          HD13      LEU  41  41.739  -3.582   9.601
  291   HD21  LEU  41          HD21      LEU  41  41.537  -5.743   8.574
  292   HD22  LEU  41          HD22      LEU  41  42.971  -6.544   7.934
  293   HD23  LEU  41          HD23      LEU  41  42.492  -4.963   7.315
  294    H    GLY  42           HN       GLY  42  45.974  -6.194  10.682
  295    HA2  GLY  42           HA2      GLY  42  44.483  -6.179  12.992
  296    HA3  GLY  42           HA1      GLY  42  45.967  -7.109  12.802
  297    H    THR  43           HN       THR  43  47.247  -4.301  12.315
  298    HA   THR  43           HA       THR  43  47.314  -3.380  15.111
  299    HB   THR  43           HB       THR  43  49.234  -4.706  15.157
  300    HG1  THR  43           HG1      THR  43  50.560  -3.148  15.576
  301   HG21  THR  43          HG21      THR  43  49.268  -4.116  12.248
  302   HG22  THR  43          HG22      THR  43  49.617  -5.622  13.097
  303   HG23  THR  43          HG23      THR  43  50.840  -4.354  13.011
  304    H    THR  44           HN       THR  44  49.687  -2.417  12.785
  305    HA   THR  44           HA       THR  44  50.238  -0.242  12.161
  306    HB   THR  44           HB       THR  44  49.155  -1.143  10.197
  307    HG1  THR  44           HG1      THR  44  48.912   1.464  10.956
  308   HG21  THR  44          HG21      THR  44  46.683  -0.707   9.872
  309   HG22  THR  44          HG22      THR  44  46.600  -0.301  11.584
  310   HG23  THR  44          HG23      THR  44  47.064  -1.928  11.084
  311    H    GLY  45           HN       GLY  45  49.390   0.003  14.715
  312    HA2  GLY  45           HA2      GLY  45  49.018   2.083  15.872
  313    HA3  GLY  45           HA1      GLY  45  47.856   2.523  14.624
  314    H    ASN  46           HN       ASN  46  46.296   0.271  14.456
  315    HA   ASN  46           HA       ASN  46  44.655   0.538  16.798
  316    HB2  ASN  46           HB2      ASN  46  44.282  -1.580  14.697
  317    HB3  ASN  46           HB1      ASN  46  43.060  -0.726  15.637
  318   HD21  ASN  46          HD21      ASN  46  42.965  -0.833  12.764
  319   HD22  ASN  46          HD22      ASN  46  43.219   0.738  12.172
  320    H    GLY  47           HN       GLY  47  47.408  -0.692  17.004
  321    HA2  GLY  47           HA2      GLY  47  46.566  -3.073  18.525
  322    HA3  GLY  47           HA1      GLY  47  47.908  -3.198  17.392
  323    H    LEU  48           HN       LEU  48  48.920  -0.519  17.950
  324    HA   LEU  48           HA       LEU  48  50.248  -1.125  20.502
  325    HB2  LEU  48           HB2      LEU  48  51.240   1.148  18.914
  326    HB3  LEU  48           HB1      LEU  48  52.123  -0.199  19.631
  327    HG   LEU  48           HG       LEU  48  50.512  -0.275  17.061
  328   HD11  LEU  48          HD11      LEU  48  53.484  -0.540  17.613
  329   HD12  LEU  48          HD12      LEU  48  52.696   0.851  16.866
  330   HD13  LEU  48          HD13      LEU  48  52.717  -0.704  16.033
  331   HD21  LEU  48          HD21      LEU  48  52.071  -2.581  17.271
  332   HD22  LEU  48          HD22      LEU  48  50.327  -2.490  17.504
  333   HD23  LEU  48          HD23      LEU  48  51.409  -2.372  18.892
  334    H    VAL  49           HN       VAL  49  47.560  -0.039  20.435
  335    HA   VAL  49           HA       VAL  49  48.067   2.549  21.778
  336    HB   VAL  49           HB       VAL  49  45.718   1.797  20.026
  337   HG11  VAL  49          HG11      VAL  49  46.251   4.121  21.874
  338   HG12  VAL  49          HG12      VAL  49  44.801   3.125  21.751
  339   HG13  VAL  49          HG13      VAL  49  45.180   4.292  20.483
  340   HG21  VAL  49          HG21      VAL  49  46.572   3.328  18.464
  341   HG22  VAL  49          HG22      VAL  49  48.036   2.545  19.059
  342   HG23  VAL  49          HG23      VAL  49  47.579   4.137  19.665
  343    H    LEU  50           HN       LEU  50  45.478   0.112  21.397
  344    HA   LEU  50           HA       LEU  50  44.921   0.375  24.285
  345    HB2  LEU  50           HB2      LEU  50  42.728  -0.624  23.754
  346    HB3  LEU  50           HB1      LEU  50  43.014   0.848  22.826
  347    HG   LEU  50           HG       LEU  50  44.095  -1.098  21.194
  348   HD11  LEU  50          HD11      LEU  50  42.622  -2.967  21.121
  349   HD12  LEU  50          HD12      LEU  50  41.467  -2.195  22.208
  350   HD13  LEU  50          HD13      LEU  50  43.017  -2.763  22.828
  351   HD21  LEU  50          HD21      LEU  50  42.720   0.705  20.379
  352   HD22  LEU  50          HD22      LEU  50  41.321   0.122  21.281
  353   HD23  LEU  50          HD23      LEU  50  41.930  -0.797  19.904
  354    H    TRP  51           HN       TRP  51  45.599  -1.949  21.717
  355    HA   TRP  51           HA       TRP  51  45.379  -4.241  23.457
  356    HB2  TRP  51           HB2      TRP  51  44.915  -4.438  21.055
  357    HB3  TRP  51           HB1      TRP  51  46.575  -3.971  20.689
  358    HD1  TRP  51           HD1      TRP  51  48.352  -5.817  20.686
  359    HE1  TRP  51           HE1      TRP  51  48.371  -8.324  21.286
  360    HE3  TRP  51           HE3      TRP  51  43.723  -6.255  22.801
  361    HZ2  TRP  51           HZ2      TRP  51  46.652 -10.260  22.500
  362    HZ3  TRP  51           HZ3      TRP  51  42.941  -8.440  23.670
  363    HH2  TRP  51           HH2      TRP  51  44.398 -10.441  23.523
  364    H    THR  52           HN       THR  52  47.430  -1.861  23.709
  365    HA   THR  52           HA       THR  52  49.906  -3.436  23.841
  366    HB   THR  52           HB       THR  52  49.772  -1.093  22.799
  367    HG1  THR  52           HG1      THR  52  51.819  -1.226  23.155
  368   HG21  THR  52          HG21      THR  52  49.945  -0.188  25.669
  369   HG22  THR  52          HG22      THR  52  48.396  -0.275  24.830
  370   HG23  THR  52          HG23      THR  52  49.669   0.785  24.224
  371    H    VAL  53           HN       VAL  53  47.478  -1.970  25.849
  372    HA   VAL  53           HA       VAL  53  48.928  -1.844  28.278
  373    HB   VAL  53           HB       VAL  53  45.957  -2.293  27.923
  374   HG11  VAL  53          HG11      VAL  53  47.668  -1.175  30.161
  375   HG12  VAL  53          HG12      VAL  53  46.652  -2.615  30.213
  376   HG13  VAL  53          HG13      VAL  53  45.911  -1.019  30.104
  377   HG21  VAL  53          HG21      VAL  53  46.302  -0.346  26.688
  378   HG22  VAL  53          HG22      VAL  53  47.712   0.127  27.636
  379   HG23  VAL  53          HG23      VAL  53  46.092   0.320  28.308
  380    H    PHE  54           HN       PHE  54  46.453  -4.223  27.287
  381    HA   PHE  54           HA       PHE  54  46.859  -6.055  29.338
  382    HB2  PHE  54           HB2      PHE  54  45.123  -6.944  28.233
  383    HB3  PHE  54           HB1      PHE  54  45.507  -6.010  26.786
  384    HD1  PHE  54           HD2      PHE  54  47.257  -6.879  25.181
  385    HD2  PHE  54           HD1      PHE  54  45.680  -9.253  28.394
  386    HE1  PHE  54           HE2      PHE  54  48.099  -8.933  24.075
  387    HE2  PHE  54           HE1      PHE  54  46.521 -11.308  27.288
  388    HZ   PHE  54           HZ       PHE  54  47.731 -11.148  25.129
  389    H    ARG  55           HN       ARG  55  48.767  -5.432  26.497
  390    HA   ARG  55           HA       ARG  55  50.295  -7.897  26.746
  391    HB2  ARG  55           HB2      ARG  55  49.824  -6.927  24.520
  392    HB3  ARG  55           HB1      ARG  55  50.748  -5.491  24.964
  393    HG2  ARG  55           HG2      ARG  55  52.681  -6.517  24.445
  394    HG3  ARG  55           HG1      ARG  55  52.300  -7.856  25.529
  395    HD2  ARG  55           HD2      ARG  55  51.185  -7.587  22.726
  396    HD3  ARG  55           HD1      ARG  55  52.607  -8.545  23.127
  397    HE   ARG  55           HE       ARG  55  50.502  -9.346  24.815
  398   HH11  ARG  55          HH21      ARG  55  51.417  -9.343  21.477
  399   HH12  ARG  55          HH22      ARG  55  50.542 -10.787  21.093
  400   HH21  ARG  55          HH11      ARG  55  49.351 -11.240  24.318
  401   HH22  ARG  55          HH12      ARG  55  49.372 -11.861  22.701
  402    H    LYS  56           HN       LYS  56  50.681  -4.449  27.412
  403    HA   LYS  56           HA       LYS  56  53.371  -4.268  27.968
  404    HB2  LYS  56           HB2      LYS  56  50.941  -2.873  28.912
  405    HB3  LYS  56           HB1      LYS  56  52.359  -2.717  29.950
  406    HG2  LYS  56           HG2      LYS  56  53.693  -1.885  28.106
  407    HG3  LYS  56           HG1      LYS  56  52.386  -2.200  26.964
  408    HD2  LYS  56           HD2      LYS  56  50.961  -0.564  28.150
  409    HD3  LYS  56           HD1      LYS  56  52.281  -0.235  29.272
  410    HE2  LYS  56           HE2      LYS  56  53.413   0.021  26.713
  411    HE3  LYS  56           HE1      LYS  56  51.846   0.824  26.608
  412    HZ1  LYS  56           HZ1      LYS  56  52.748   1.672  28.987
  413    HZ2  LYS  56           HZ2      LYS  56  52.933   2.529  27.531
  414    HZ3  LYS  56           HZ3      LYS  56  54.198   1.558  28.115
  415    H    LYS  57           HN       LYS  57  50.956  -6.042  29.676
  416    HA   LYS  57           HA       LYS  57  52.240  -6.201  32.210
  417    HB2  LYS  57           HB2      LYS  57  50.433  -8.310  31.028
  418    HB3  LYS  57           HB1      LYS  57  50.657  -7.892  32.727
  419    HG2  LYS  57           HG2      LYS  57  49.854  -5.500  31.887
  420    HG3  LYS  57           HG1      LYS  57  49.099  -6.459  30.613
  421    HD2  LYS  57           HD2      LYS  57  48.077  -7.901  32.410
  422    HD3  LYS  57           HD1      LYS  57  48.690  -6.753  33.601
  423    HE2  LYS  57           HE2      LYS  57  47.470  -5.024  31.936
  424    HE3  LYS  57           HE1      LYS  57  46.470  -6.448  31.643
  425    HZ1  LYS  57           HZ1      LYS  57  46.880  -4.945  34.136
  426    HZ2  LYS  57           HZ2      LYS  57  46.485  -6.596  34.216
  427    HZ3  LYS  57           HZ3      LYS  57  45.437  -5.505  33.444
  428    H    GLY  58           HN       GLY  58  52.554  -7.976  29.203
  429    HA2  GLY  58           HA2      GLY  58  54.975  -8.875  29.096
  430    HA3  GLY  58           HA1      GLY  58  54.448  -9.848  30.465
  431    H    HIS  59           HN       HIS  59  54.809  -9.825  27.167
  432    HA   HIS  59           HA       HIS  59  52.563 -11.165  26.175
  433    HB2  HIS  59           HB2      HIS  59  53.758 -11.001  24.290
  434    HB3  HIS  59           HB1      HIS  59  55.147 -10.462  25.233
  435    HD2  HIS  59           HD2      HIS  59  56.849 -12.686  26.140
  436    HE1  HIS  59           HE1      HIS  59  55.391 -15.341  23.200
  437    HE2  HIS  59           HE2      HIS  59  57.214 -14.969  24.928
  438    H    HIS  60           HN       HIS  60  54.686 -12.180  28.543
  439    HA   HIS  60           HA       HIS  60  54.547 -15.023  27.895
  440    HB2  HIS  60           HB2      HIS  60  55.862 -13.436  30.095
  441    HB3  HIS  60           HB1      HIS  60  55.762 -15.195  30.150
  442    HD2  HIS  60           HD2      HIS  60  58.437 -12.952  29.201
  443    HE1  HIS  60           HE1      HIS  60  58.492 -15.742  26.033
  444    HE2  HIS  60           HE2      HIS  60  59.803 -13.899  27.187
  445    H    HIS  61           HN       HIS  61  52.470 -12.835  29.192
  446    HA   HIS  61           HA       HIS  61  50.673 -12.934  30.631
  447    HB2  HIS  61           HB2      HIS  61  50.637 -15.870  29.930
  448    HB3  HIS  61           HB1      HIS  61  49.268 -14.828  30.321
  449    HD2  HIS  61           HD2      HIS  61  50.281 -16.353  27.222
  450    HE1  HIS  61           HE1      HIS  61  49.615 -12.367  26.006
  451    HE2  HIS  61           HE2      HIS  61  49.913 -14.753  25.192
  452    H    HIS  62           HN       HIS  62  51.793 -12.534  32.577
  453    HA   HIS  62           HA       HIS  62  52.557 -14.897  34.162
  454    HB2  HIS  62           HB2      HIS  62  54.259 -13.149  33.981
  455    HB3  HIS  62           HB1      HIS  62  53.122 -11.956  34.609
  456    HD2  HIS  62           HD2      HIS  62  53.194 -15.452  36.358
  457    HE1  HIS  62           HE1      HIS  62  55.062 -12.683  38.940
  458    HE2  HIS  62           HE2      HIS  62  54.183 -15.057  38.743
  459    H    HIS  63           HN       HIS  63  50.515 -15.599  34.812
  460    HA   HIS  63           HA       HIS  63  49.408 -14.174  37.071
  461    HB2  HIS  63           HB2      HIS  63  48.215 -13.035  35.287
  462    HB3  HIS  63           HB1      HIS  63  47.755 -14.578  34.567
  463    HD2  HIS  63           HD2      HIS  63  47.450 -14.093  38.458
  464    HE1  HIS  63           HE1      HIS  63  43.553 -14.281  36.844
  465    HE2  HIS  63           HE2      HIS  63  44.897 -14.217  38.997
  466    H    HIS  64           HN       HIS  64  50.240 -16.206  37.952
  467    HA   HIS  64           HA       HIS  64  49.525 -18.770  37.295
  468    HB2  HIS  64           HB2      HIS  64  50.579 -17.454  39.588
  469    HB3  HIS  64           HB1      HIS  64  49.305 -18.546  40.134
  470    HD2  HIS  64           HD2      HIS  64  52.943 -18.865  39.615
  471    HE1  HIS  64           HE1      HIS  64  51.452 -22.592  38.307
  472    HE2  HIS  64           HE2      HIS  64  53.546 -21.327  38.987
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  72.222 -40.062 -16.852
    2    H2   MET   1           HT2      MET   1  73.063 -39.435 -18.188
    3    H3   MET   1           HT3      MET   1  71.743 -38.586 -17.538
    4    HA   MET   1           HA       MET   1  73.517 -37.423 -16.676
    5    HB2  MET   1           HB2      MET   1  73.031 -39.609 -14.631
    6    HB3  MET   1           HB1      MET   1  73.550 -37.954 -14.308
    7    HG2  MET   1           HG2      MET   1  71.228 -37.671 -15.844
    8    HG3  MET   1           HG1      MET   1  70.862 -38.987 -14.727
    9    HE1  MET   1           HE1      MET   1  71.221 -37.741 -11.307
   10    HE2  MET   1           HE2      MET   1  72.814 -37.958 -12.028
   11    HE3  MET   1           HE3      MET   1  71.503 -39.052 -12.462
   12    H    GLU   2           HN       GLU   2  75.585 -37.379 -17.295
   13    HA   GLU   2           HA       GLU   2  77.218 -39.527 -17.907
   14    HB2  GLU   2           HB2      GLU   2  77.880 -36.730 -16.988
   15    HB3  GLU   2           HB1      GLU   2  79.126 -37.885 -17.463
   16    HG2  GLU   2           HG2      GLU   2  78.460 -37.906 -19.682
   17    HG3  GLU   2           HG1      GLU   2  76.796 -37.472 -19.294
   18    H    GLU   3           HN       GLU   3  77.738 -37.509 -15.012
   19    HA   GLU   3           HA       GLU   3  77.848 -39.771 -13.245
   20    HB2  GLU   3           HB2      GLU   3  80.291 -39.359 -12.647
   21    HB3  GLU   3           HB1      GLU   3  79.999 -40.184 -14.179
   22    HG2  GLU   3           HG2      GLU   3  80.576 -38.326 -15.450
   23    HG3  GLU   3           HG1      GLU   3  80.180 -37.192 -14.159
   24    H    GLY   4           HN       GLY   4  76.733 -36.983 -13.601
   25    HA2  GLY   4           HA2      GLY   4  76.967 -36.187 -10.844
   26    HA3  GLY   4           HA1      GLY   4  77.747 -35.060 -11.949
   27    H    GLY   5           HN       GLY   5  74.915 -35.730 -10.376
   28    HA2  GLY   5           HA2      GLY   5  73.050 -34.857 -12.411
   29    HA3  GLY   5           HA1      GLY   5  72.681 -35.179 -10.720
   30    H    ASP   6           HN       ASP   6  74.225 -32.822 -12.877
   31    HA   ASP   6           HA       ASP   6  73.886 -30.734 -10.835
   32    HB2  ASP   6           HB2      ASP   6  75.447 -29.445 -12.043
   33    HB3  ASP   6           HB1      ASP   6  76.073 -31.091 -12.136
   34    H    PHE   7           HN       PHE   7  71.837 -32.054 -12.787
   35    HA   PHE   7           HA       PHE   7  70.414 -29.573 -13.321
   36    HB2  PHE   7           HB2      PHE   7  71.946 -30.247 -15.346
   37    HB3  PHE   7           HB1      PHE   7  70.687 -31.446 -15.644
   38    HD1  PHE   7           HD2      PHE   7  71.285 -27.799 -15.159
   39    HD2  PHE   7           HD1      PHE   7  68.604 -30.830 -16.598
   40    HE1  PHE   7           HE2      PHE   7  69.857 -26.049 -16.184
   41    HE2  PHE   7           HE1      PHE   7  67.176 -29.081 -17.623
   42    HZ   PHE   7           HZ       PHE   7  67.803 -26.690 -17.416
   43    H    ASP   8           HN       ASP   8  69.761 -31.452 -11.471
   44    HA   ASP   8           HA       ASP   8  67.233 -32.459 -12.532
   45    HB2  ASP   8           HB2      ASP   8  69.288 -34.246 -11.214
   46    HB3  ASP   8           HB1      ASP   8  67.611 -34.701 -11.509
   47    H    ASN   9           HN       ASN   9  67.630 -30.313 -10.841
   48    HA   ASN   9           HA       ASN   9  66.178 -31.209  -8.488
   49    HB2  ASN   9           HB2      ASN   9  68.523 -31.439  -7.774
   50    HB3  ASN   9           HB1      ASN   9  68.821 -29.759  -8.218
   51   HD21  ASN   9          HD21      ASN   9  67.760 -31.801  -5.669
   52   HD22  ASN   9          HD22      ASN   9  67.174 -30.586  -4.639
   53    H    TYR  10           HN       TYR  10  64.498 -29.871  -8.442
   54    HA   TYR  10           HA       TYR  10  63.204 -27.989  -8.803
   55    HB2  TYR  10           HB2      TYR  10  64.807 -27.573  -6.717
   56    HB3  TYR  10           HB1      TYR  10  65.435 -26.305  -7.768
   57    HD1  TYR  10           HD2      TYR  10  62.242 -27.688  -6.394
   58    HD2  TYR  10           HD1      TYR  10  64.287 -24.263  -7.987
   59    HE1  TYR  10           HE2      TYR  10  60.284 -26.265  -5.850
   60    HE2  TYR  10           HE1      TYR  10  62.330 -22.841  -7.443
   61    HH   TYR  10           HH       TYR  10  60.402 -22.924  -5.791
   62    H    TYR  11           HN       TYR  11  65.307 -28.727 -10.897
   63    HA   TYR  11           HA       TYR  11  65.031 -26.243 -12.434
   64    HB2  TYR  11           HB2      TYR  11  67.567 -27.385 -11.465
   65    HB3  TYR  11           HB1      TYR  11  67.539 -27.016 -13.189
   66    HD1  TYR  11           HD2      TYR  11  66.623 -24.684 -13.882
   67    HD2  TYR  11           HD1      TYR  11  67.904 -25.664  -9.901
   68    HE1  TYR  11           HE2      TYR  11  66.887 -22.272 -13.374
   69    HE2  TYR  11           HE1      TYR  11  68.169 -23.251  -9.392
   70    HH   TYR  11           HH       TYR  11  68.400 -20.920 -11.618
   71    H    GLY  12           HN       GLY  12  63.896 -26.892 -14.148
   72    HA2  GLY  12           HA2      GLY  12  63.858 -27.914 -16.305
   73    HA3  GLY  12           HA1      GLY  12  64.866 -29.214 -15.675
   74    H    ALA  13           HN       ALA  13  63.453 -29.821 -13.337
   75    HA   ALA  13           HA       ALA  13  61.054 -31.081 -14.493
   76    HB1  ALA  13           HB1      ALA  13  61.207 -32.625 -12.565
   77    HB2  ALA  13           HB2      ALA  13  62.625 -31.747 -11.992
   78    HB3  ALA  13           HB3      ALA  13  62.688 -32.620 -13.524
   79    H    ASP  14           HN       ASP  14  61.136 -28.285 -13.607
   80    HA   ASP  14           HA       ASP  14  58.957 -28.443 -11.632
   81    HB2  ASP  14           HB2      ASP  14  61.301 -27.769 -10.678
   82    HB3  ASP  14           HB1      ASP  14  60.962 -26.222 -11.451
   83    H    ASN  15           HN       ASN  15  59.820 -27.614 -14.635
   84    HA   ASN  15           HA       ASN  15  57.676 -25.645 -14.851
   85    HB2  ASN  15           HB2      ASN  15  59.235 -24.229 -16.335
   86    HB3  ASN  15           HB1      ASN  15  59.431 -24.098 -14.589
   87   HD21  ASN  15          HD21      ASN  15  61.686 -23.352 -15.742
   88   HD22  ASN  15          HD22      ASN  15  62.855 -24.581 -15.797
   89    H    GLN  16           HN       GLN  16  57.305 -28.089 -15.714
   90    HA   GLN  16           HA       GLN  16  58.289 -28.661 -18.331
   91    HB2  GLN  16           HB2      GLN  16  55.827 -29.709 -16.913
   92    HB3  GLN  16           HB1      GLN  16  56.557 -30.405 -18.361
   93    HG2  GLN  16           HG2      GLN  16  57.449 -31.699 -16.596
   94    HG3  GLN  16           HG1      GLN  16  58.727 -30.543 -16.967
   95   HE21  GLN  16          HE21      GLN  16  59.303 -29.015 -15.340
   96   HE22  GLN  16          HE22      GLN  16  58.572 -28.974 -13.809
   97    H    SER  17           HN       SER  17  55.169 -27.420 -17.131
   98    HA   SER  17           HA       SER  17  54.828 -25.847 -19.543
   99    HB2  SER  17           HB2      SER  17  52.841 -28.032 -18.886
  100    HB3  SER  17           HB1      SER  17  52.692 -26.846 -20.179
  101    HG   SER  17           HG       SER  17  55.072 -27.966 -20.400
  102    H    GLU  18           HN       GLU  18  54.931 -25.712 -16.490
  103    HA   GLU  18           HA       GLU  18  52.771 -23.771 -16.238
  104    HB2  GLU  18           HB2      GLU  18  52.687 -26.422 -15.000
  105    HB3  GLU  18           HB1      GLU  18  52.524 -25.108 -13.834
  106    HG2  GLU  18           HG2      GLU  18  50.667 -24.164 -15.045
  107    HG3  GLU  18           HG1      GLU  18  50.914 -25.274 -16.392
  108    H    CYS  19           HN       CYS  19  52.880 -22.971 -13.767
  109    HA   CYS  19           HA       CYS  19  54.100 -21.810 -12.204
  110    HB2  CYS  19           HB2      CYS  19  55.623 -23.077 -11.131
  111    HB3  CYS  19           HB1      CYS  19  55.268 -24.315 -12.338
  112    HG   CYS  19           HG       CYS  19  57.920 -23.389 -12.120
  113    H    GLU  20           HN       GLU  20  54.741 -21.838 -15.415
  114    HA   GLU  20           HA       GLU  20  57.147 -20.217 -15.410
  115    HB2  GLU  20           HB2      GLU  20  56.697 -21.783 -17.259
  116    HB3  GLU  20           HB1      GLU  20  55.234 -20.885 -17.659
  117    HG2  GLU  20           HG2      GLU  20  56.409 -19.340 -18.800
  118    HG3  GLU  20           HG1      GLU  20  57.506 -19.097 -17.442
  119    H    TYR  21           HN       TYR  21  55.183 -19.062 -13.814
  120    HA   TYR  21           HA       TYR  21  54.809 -16.525 -15.213
  121    HB2  TYR  21           HB2      TYR  21  52.546 -18.186 -14.103
  122    HB3  TYR  21           HB1      TYR  21  52.413 -16.440 -14.320
  123    HD1  TYR  21           HD2      TYR  21  53.023 -15.493 -16.663
  124    HD2  TYR  21           HD1      TYR  21  52.139 -19.628 -15.911
  125    HE1  TYR  21           HE2      TYR  21  52.539 -15.827 -19.072
  126    HE2  TYR  21           HE1      TYR  21  51.654 -19.963 -18.320
  127    HH   TYR  21           HH       TYR  21  51.054 -17.540 -20.427
  128    H    THR  22           HN       THR  22  56.238 -15.556 -13.802
  129    HA   THR  22           HA       THR  22  57.047 -14.675 -11.832
  130    HB   THR  22           HB       THR  22  55.316 -13.620 -10.421
  131    HG1  THR  22           HG1      THR  22  53.546 -14.744 -10.339
  132   HG21  THR  22          HG21      THR  22  55.781 -12.235 -12.217
  133   HG22  THR  22          HG22      THR  22  54.062 -12.522 -12.483
  134   HG23  THR  22          HG23      THR  22  55.260 -13.429 -13.406
  135    H    ASP  23           HN       ASP  23  56.728 -17.580 -11.926
  136    HA   ASP  23           HA       ASP  23  56.435 -18.105  -9.026
  137    HB2  ASP  23           HB2      ASP  23  55.121 -19.361 -11.287
  138    HB3  ASP  23           HB1      ASP  23  56.045 -20.535 -10.349
  139    H    TRP  24           HN       TRP  24  58.344 -18.360 -11.877
  140    HA   TRP  24           HA       TRP  24  60.005 -20.522 -11.331
  141    HB2  TRP  24           HB2      TRP  24  61.675 -19.404 -12.716
  142    HB3  TRP  24           HB1      TRP  24  60.074 -19.204 -13.427
  143    HD1  TRP  24           HD1      TRP  24  58.805 -16.808 -12.691
  144    HE1  TRP  24           HE1      TRP  24  59.855 -14.458 -12.531
  145    HE3  TRP  24           HE3      TRP  24  63.738 -18.069 -12.302
  146    HZ2  TRP  24           HZ2      TRP  24  62.444 -13.271 -12.273
  147    HZ3  TRP  24           HZ3      TRP  24  65.473 -16.312 -12.101
  148    HH2  TRP  24           HH2      TRP  24  64.832 -13.916 -12.086
  149    H    LYS  25           HN       LYS  25  59.506 -17.810  -9.440
  150    HA   LYS  25           HA       LYS  25  61.949 -18.383  -7.895
  151    HB2  LYS  25           HB2      LYS  25  61.877 -15.809  -7.387
  152    HB3  LYS  25           HB1      LYS  25  62.659 -16.393  -8.854
  153    HG2  LYS  25           HG2      LYS  25  61.164 -14.483  -9.335
  154    HG3  LYS  25           HG1      LYS  25  60.605 -15.947 -10.141
  155    HD2  LYS  25           HD2      LYS  25  58.833 -16.255  -8.620
  156    HD3  LYS  25           HD1      LYS  25  59.569 -15.201  -7.411
  157    HE2  LYS  25           HE2      LYS  25  59.130 -13.242  -8.760
  158    HE3  LYS  25           HE1      LYS  25  58.581 -14.237 -10.108
  159    HZ1  LYS  25           HZ1      LYS  25  56.612 -13.649  -9.123
  160    HZ2  LYS  25           HZ2      LYS  25  57.249 -13.676  -7.548
  161    HZ3  LYS  25           HZ3      LYS  25  56.916 -15.132  -8.358
  162    H    SER  26           HN       SER  26  58.697 -18.382  -7.951
  163    HA   SER  26           HA       SER  26  57.006 -18.113  -6.388
  164    HB2  SER  26           HB2      SER  26  57.505 -19.335  -4.291
  165    HB3  SER  26           HB1      SER  26  58.017 -20.226  -5.721
  166    HG   SER  26           HG       SER  26  59.836 -20.277  -4.629
  167    H    SER  27           HN       SER  27  57.539 -15.684  -6.604
  168    HA   SER  27           HA       SER  27  57.811 -14.637  -3.885
  169    HB2  SER  27           HB2      SER  27  59.550 -13.150  -4.342
  170    HB3  SER  27           HB1      SER  27  60.067 -14.602  -5.194
  171    HG   SER  27           HG       SER  27  59.330 -12.151  -6.160
  172    H    GLY  28           HN       GLY  28  55.748 -14.969  -6.093
  173    HA2  GLY  28           HA2      GLY  28  54.601 -12.304  -5.812
  174    HA3  GLY  28           HA1      GLY  28  54.924 -12.827  -7.463
  175    H    ALA  29           HN       ALA  29  53.944 -14.969  -4.851
  176    HA   ALA  29           HA       ALA  29  51.212 -15.115  -5.903
  177    HB1  ALA  29           HB1      ALA  29  51.520 -17.706  -5.769
  178    HB2  ALA  29           HB2      ALA  29  53.233 -17.334  -5.968
  179    HB3  ALA  29           HB3      ALA  29  52.074 -16.846  -7.205
  180    H    LEU  30           HN       LEU  30  53.428 -15.211  -3.359
  181    HA   LEU  30           HA       LEU  30  51.271 -15.899  -1.476
  182    HB2  LEU  30           HB2      LEU  30  53.109 -17.054  -0.088
  183    HB3  LEU  30           HB1      LEU  30  52.470 -17.927  -1.481
  184    HG   LEU  30           HG       LEU  30  54.722 -16.152  -2.133
  185   HD11  LEU  30          HD11      LEU  30  55.445 -16.876   0.106
  186   HD12  LEU  30          HD12      LEU  30  56.423 -17.652  -1.140
  187   HD13  LEU  30          HD13      LEU  30  55.143 -18.557  -0.332
  188   HD21  LEU  30          HD21      LEU  30  53.661 -17.869  -3.632
  189   HD22  LEU  30          HD22      LEU  30  54.276 -19.124  -2.554
  190   HD23  LEU  30          HD23      LEU  30  55.400 -18.089  -3.436
  191    H    ILE  31           HN       ILE  31  53.493 -13.704  -2.500
  192    HA   ILE  31           HA       ILE  31  54.425 -12.742   0.049
  193    HB   ILE  31           HB       ILE  31  54.842 -12.069  -2.784
  194   HG12  ILE  31          HG12      ILE  31  57.118 -11.699  -1.952
  195   HG13  ILE  31          HG11      ILE  31  56.540 -11.791  -0.288
  196   HG21  ILE  31          HG21      ILE  31  55.693  -9.766  -2.190
  197   HG22  ILE  31          HG22      ILE  31  54.828  -9.897  -0.663
  198   HG23  ILE  31          HG23      ILE  31  53.938  -9.907  -2.189
  199   HD11  ILE  31          HD11      ILE  31  57.523 -13.930  -1.633
  200   HD12  ILE  31          HD12      ILE  31  55.813 -14.075  -2.038
  201   HD13  ILE  31          HD13      ILE  31  56.322 -14.068  -0.349
  202    HA   PRO  32           HA       PRO  32  51.014  -9.514  -0.557
  203    HB2  PRO  32           HB2      PRO  32  49.137  -9.846  -2.482
  204    HB3  PRO  32           HB1      PRO  32  50.723  -9.128  -2.817
  205    HG2  PRO  32           HG2      PRO  32  49.683 -11.795  -3.504
  206    HG3  PRO  32           HG1      PRO  32  50.925 -10.822  -4.305
  207    HD2  PRO  32           HD2      PRO  32  51.339 -13.004  -2.511
  208    HD3  PRO  32           HD1      PRO  32  52.575 -11.933  -3.203
  209    H    ALA  33           HN       ALA  33  50.652 -12.740  -0.107
  210    HA   ALA  33           HA       ALA  33  47.830 -12.621   0.715
  211    HB1  ALA  33           HB1      ALA  33  49.670 -14.751  -0.148
  212    HB2  ALA  33           HB2      ALA  33  47.916 -14.643  -0.298
  213    HB3  ALA  33           HB3      ALA  33  48.639 -15.183   1.217
  214    H    ILE  34           HN       ILE  34  50.675 -11.822   2.031
  215    HA   ILE  34           HA       ILE  34  49.750 -12.493   4.740
  216    HB   ILE  34           HB       ILE  34  52.676 -12.682   4.123
  217   HG12  ILE  34          HG12      ILE  34  50.591 -14.846   3.704
  218   HG13  ILE  34          HG11      ILE  34  51.687 -14.184   2.491
  219   HG21  ILE  34          HG21      ILE  34  52.770 -13.805   6.157
  220   HG22  ILE  34          HG22      ILE  34  51.113 -14.392   6.027
  221   HG23  ILE  34          HG23      ILE  34  51.421 -12.708   6.453
  222   HD11  ILE  34          HD11      ILE  34  52.222 -16.146   4.651
  223   HD12  ILE  34          HD12      ILE  34  53.486 -14.950   4.363
  224   HD13  ILE  34          HD13      ILE  34  52.953 -16.005   3.053
  225    H    TYR  35           HN       TYR  35  51.963 -10.620   2.702
  226    HA   TYR  35           HA       TYR  35  52.555  -8.696   4.756
  227    HB2  TYR  35           HB2      TYR  35  53.090  -8.856   1.797
  228    HB3  TYR  35           HB1      TYR  35  53.456  -7.395   2.716
  229    HD1  TYR  35           HD2      TYR  35  54.016 -11.096   2.737
  230    HD2  TYR  35           HD1      TYR  35  55.468  -7.229   3.914
  231    HE1  TYR  35           HE2      TYR  35  56.116 -12.133   3.554
  232    HE2  TYR  35           HE1      TYR  35  57.568  -8.265   4.731
  233    HH   TYR  35           HH       TYR  35  57.944 -11.329   5.452
  234    H    MET  36           HN       MET  36  49.703  -9.207   4.026
  235    HA   MET  36           HA       MET  36  48.957  -6.390   3.590
  236    HB2  MET  36           HB2      MET  36  47.510  -8.712   2.300
  237    HB3  MET  36           HB1      MET  36  47.198  -6.992   2.064
  238    HG2  MET  36           HG2      MET  36  49.778  -8.411   1.335
  239    HG3  MET  36           HG1      MET  36  48.518  -7.944   0.193
  240    HE1  MET  36           HE1      MET  36  51.903  -6.972   0.767
  241    HE2  MET  36           HE2      MET  36  51.654  -5.606  -0.318
  242    HE3  MET  36           HE3      MET  36  50.936  -7.168  -0.701
  243    H    LEU  37           HN       LEU  37  47.717  -9.624   4.440
  244    HA   LEU  37           HA       LEU  37  45.574  -8.541   6.033
  245    HB2  LEU  37           HB2      LEU  37  46.659 -11.361   5.828
  246    HB3  LEU  37           HB1      LEU  37  45.166 -10.900   6.644
  247    HG   LEU  37           HG       LEU  37  45.474  -9.951   3.846
  248   HD11  LEU  37          HD11      LEU  37  45.122 -12.859   4.609
  249   HD12  LEU  37          HD12      LEU  37  46.308 -12.170   3.501
  250   HD13  LEU  37          HD13      LEU  37  44.604 -12.214   3.052
  251   HD21  LEU  37          HD21      LEU  37  43.188 -11.330   5.283
  252   HD22  LEU  37          HD22      LEU  37  43.093 -10.369   3.808
  253   HD23  LEU  37          HD23      LEU  37  43.468  -9.590   5.345
  254    H    VAL  38           HN       VAL  38  48.588  -8.103   6.617
  255    HA   VAL  38           HA       VAL  38  48.340  -8.572   9.515
  256    HB   VAL  38           HB       VAL  38  50.880  -9.064   7.946
  257   HG11  VAL  38          HG11      VAL  38  51.286  -8.355  10.237
  258   HG12  VAL  38          HG12      VAL  38  51.583 -10.090  10.125
  259   HG13  VAL  38          HG13      VAL  38  50.084  -9.495  10.842
  260   HG21  VAL  38          HG21      VAL  38  48.817 -10.977   9.082
  261   HG22  VAL  38          HG22      VAL  38  50.431 -11.470   8.570
  262   HG23  VAL  38          HG23      VAL  38  49.296 -10.811   7.392
  263    H    PHE  39           HN       PHE  39  50.468  -7.076   7.064
  264    HA   PHE  39           HA       PHE  39  51.697  -5.134   8.518
  265    HB2  PHE  39           HB2      PHE  39  51.635  -5.631   5.915
  266    HB3  PHE  39           HB1      PHE  39  50.498  -4.282   5.917
  267    HD1  PHE  39           HD2      PHE  39  53.900  -5.291   7.099
  268    HD2  PHE  39           HD1      PHE  39  51.274  -2.061   6.038
  269    HE1  PHE  39           HE2      PHE  39  55.790  -3.694   7.276
  270    HE2  PHE  39           HE1      PHE  39  53.164  -0.465   6.214
  271    HZ   PHE  39           HZ       PHE  39  55.423  -1.282   6.833
  272    H    LEU  40           HN       LEU  40  48.496  -4.763   6.977
  273    HA   LEU  40           HA       LEU  40  48.016  -2.364   8.594
  274    HB2  LEU  40           HB2      LEU  40  46.436  -3.604   6.328
  275    HB3  LEU  40           HB1      LEU  40  45.999  -2.113   7.164
  276    HG   LEU  40           HG       LEU  40  48.788  -2.197   6.208
  277   HD11  LEU  40          HD11      LEU  40  48.095  -1.701   3.851
  278   HD12  LEU  40          HD12      LEU  40  46.454  -2.191   4.273
  279   HD13  LEU  40          HD13      LEU  40  47.767  -3.366   4.335
  280   HD21  LEU  40          HD21      LEU  40  47.572  -0.222   7.203
  281   HD22  LEU  40          HD22      LEU  40  46.549  -0.200   5.766
  282   HD23  LEU  40          HD23      LEU  40  48.280   0.098   5.619
  283    H    LEU  41           HN       LEU  41  48.085  -4.212  10.386
  284    HA   LEU  41           HA       LEU  41  45.439  -4.387  11.411
  285    HB2  LEU  41           HB2      LEU  41  45.113  -6.195   9.869
  286    HB3  LEU  41           HB1      LEU  41  46.672  -6.906  10.278
  287    HG   LEU  41           HG       LEU  41  45.908  -7.510  12.483
  288   HD11  LEU  41          HD11      LEU  41  43.436  -6.972  13.041
  289   HD12  LEU  41          HD12      LEU  41  43.562  -5.745  11.781
  290   HD13  LEU  41          HD13      LEU  41  44.610  -5.666  13.197
  291   HD21  LEU  41          HD21      LEU  41  44.158  -9.072  11.946
  292   HD22  LEU  41          HD22      LEU  41  45.162  -8.910  10.505
  293   HD23  LEU  41          HD23      LEU  41  43.608  -8.080  10.596
  294    H    GLY  42           HN       GLY  42  48.391  -6.398  11.562
  295    HA2  GLY  42           HA2      GLY  42  48.400  -6.806  14.321
  296    HA3  GLY  42           HA1      GLY  42  49.833  -6.851  13.299
  297    H    THR  43           HN       THR  43  48.701  -3.897  12.707
  298    HA   THR  43           HA       THR  43  49.752  -2.602  15.121
  299    HB   THR  43           HB       THR  43  51.762  -2.522  13.995
  300    HG1  THR  43           HG1      THR  43  51.701  -0.485  12.707
  301   HG21  THR  43          HG21      THR  43  51.421  -3.711  12.032
  302   HG22  THR  43          HG22      THR  43  51.668  -2.088  11.388
  303   HG23  THR  43          HG23      THR  43  50.034  -2.730  11.557
  304    H    THR  44           HN       THR  44  49.463  -1.023  12.023
  305    HA   THR  44           HA       THR  44  48.118   0.702  11.317
  306    HB   THR  44           HB       THR  44  45.890   0.164  11.150
  307    HG1  THR  44           HG1      THR  44  44.681  -0.441  12.843
  308   HG21  THR  44          HG21      THR  44  45.736  -2.134  10.819
  309   HG22  THR  44          HG22      THR  44  46.659  -2.508  12.275
  310   HG23  THR  44          HG23      THR  44  47.484  -1.908  10.837
  311    H    GLY  45           HN       GLY  45  49.112   0.432  14.344
  312    HA2  GLY  45           HA2      GLY  45  49.381   2.142  15.914
  313    HA3  GLY  45           HA1      GLY  45  48.141   3.073  15.079
  314    H    ASN  46           HN       ASN  46  47.594  -0.255  15.950
  315    HA   ASN  46           HA       ASN  46  45.972   0.563  18.271
  316    HB2  ASN  46           HB2      ASN  46  44.018  -0.097  17.371
  317    HB3  ASN  46           HB1      ASN  46  44.845  -0.039  15.817
  318   HD21  ASN  46          HD21      ASN  46  46.240  -2.204  15.443
  319   HD22  ASN  46          HD22      ASN  46  45.414  -3.643  15.809
  320    H    GLY  47           HN       GLY  47  48.436  -1.248  17.191
  321    HA2  GLY  47           HA2      GLY  47  47.798  -3.610  18.842
  322    HA3  GLY  47           HA1      GLY  47  49.051  -3.538  17.606
  323    H    LEU  48           HN       LEU  48  49.795  -0.790  18.651
  324    HA   LEU  48           HA       LEU  48  51.356  -1.707  20.994
  325    HB2  LEU  48           HB2      LEU  48  52.643   0.534  19.945
  326    HB3  LEU  48           HB1      LEU  48  53.155  -1.143  19.773
  327    HG   LEU  48           HG       LEU  48  51.169   0.173  17.902
  328   HD11  LEU  48          HD11      LEU  48  53.123   0.292  16.320
  329   HD12  LEU  48          HD12      LEU  48  54.178  -0.106  17.677
  330   HD13  LEU  48          HD13      LEU  48  53.248   1.393  17.693
  331   HD21  LEU  48          HD21      LEU  48  51.054  -1.865  16.933
  332   HD22  LEU  48          HD22      LEU  48  51.946  -2.503  18.313
  333   HD23  LEU  48          HD23      LEU  48  52.811  -1.987  16.865
  334    H    VAL  49           HN       VAL  49  48.671  -0.179  20.541
  335    HA   VAL  49           HA       VAL  49  49.257   1.921  22.535
  336    HB   VAL  49           HB       VAL  49  47.406   2.192  20.154
  337   HG11  VAL  49          HG11      VAL  49  47.875   4.676  21.362
  338   HG12  VAL  49          HG12      VAL  49  47.595   3.572  22.708
  339   HG13  VAL  49          HG13      VAL  49  46.382   3.739  21.439
  340   HG21  VAL  49          HG21      VAL  49  50.157   3.244  20.806
  341   HG22  VAL  49          HG22      VAL  49  49.091   4.123  19.711
  342   HG23  VAL  49          HG23      VAL  49  49.596   2.479  19.320
  343    H    LEU  50           HN       LEU  50  46.951  -0.332  21.122
  344    HA   LEU  50           HA       LEU  50  45.136   0.074  23.407
  345    HB2  LEU  50           HB2      LEU  50  44.123   0.180  21.166
  346    HB3  LEU  50           HB1      LEU  50  44.711  -1.447  20.823
  347    HG   LEU  50           HG       LEU  50  43.281  -1.365  23.351
  348   HD11  LEU  50          HD11      LEU  50  41.858  -0.401  20.856
  349   HD12  LEU  50          HD12      LEU  50  41.983   0.435  22.403
  350   HD13  LEU  50          HD13      LEU  50  41.019  -1.036  22.271
  351   HD21  LEU  50          HD21      LEU  50  43.796  -3.402  22.054
  352   HD22  LEU  50          HD22      LEU  50  42.801  -2.809  20.724
  353   HD23  LEU  50          HD23      LEU  50  42.055  -3.222  22.268
  354    H    TRP  51           HN       TRP  51  46.128  -2.742  21.449
  355    HA   TRP  51           HA       TRP  51  45.603  -4.708  23.323
  356    HB2  TRP  51           HB2      TRP  51  46.131  -5.627  21.286
  357    HB3  TRP  51           HB1      TRP  51  47.444  -4.488  20.991
  358    HD1  TRP  51           HD1      TRP  51  49.684  -5.663  21.013
  359    HE1  TRP  51           HE1      TRP  51  50.758  -7.588  22.351
  360    HE3  TRP  51           HE3      TRP  51  45.761  -6.945  24.020
  361    HZ2  TRP  51           HZ2      TRP  51  50.047  -9.427  24.423
  362    HZ3  TRP  51           HZ3      TRP  51  45.986  -8.784  25.664
  363    HH2  TRP  51           HH2      TRP  51  48.122 -10.027  25.869
  364    H    THR  52           HN       THR  52  48.390  -2.586  23.058
  365    HA   THR  52           HA       THR  52  50.137  -3.924  24.808
  366    HB   THR  52           HB       THR  52  50.740  -1.990  23.328
  367    HG1  THR  52           HG1      THR  52  51.792  -0.894  25.367
  368   HG21  THR  52          HG21      THR  52  48.652  -0.686  24.140
  369   HG22  THR  52          HG22      THR  52  50.144   0.218  23.888
  370   HG23  THR  52          HG23      THR  52  49.651  -0.233  25.520
  371    H    VAL  53           HN       VAL  53  47.234  -2.173  25.402
  372    HA   VAL  53           HA       VAL  53  47.669  -1.261  28.025
  373    HB   VAL  53           HB       VAL  53  45.110  -2.230  26.728
  374   HG11  VAL  53          HG11      VAL  53  44.734  -2.177  29.082
  375   HG12  VAL  53          HG12      VAL  53  44.114  -0.641  28.476
  376   HG13  VAL  53          HG13      VAL  53  45.685  -0.705  29.275
  377   HG21  VAL  53          HG21      VAL  53  44.960  -0.186  25.738
  378   HG22  VAL  53          HG22      VAL  53  46.703  -0.113  25.995
  379   HG23  VAL  53          HG23      VAL  53  45.609   0.647  27.151
  380    H    PHE  54           HN       PHE  54  46.953  -4.434  26.753
  381    HA   PHE  54           HA       PHE  54  46.625  -5.502  29.478
  382    HB2  PHE  54           HB2      PHE  54  45.576  -6.213  26.860
  383    HB3  PHE  54           HB1      PHE  54  46.313  -7.598  27.665
  384    HD1  PHE  54           HD1      PHE  54  43.825  -4.859  28.093
  385    HD2  PHE  54           HD2      PHE  54  45.275  -8.636  29.536
  386    HE1  PHE  54           HE1      PHE  54  41.849  -5.049  29.579
  387    HE2  PHE  54           HE2      PHE  54  43.299  -8.826  31.024
  388    HZ   PHE  54           HZ       PHE  54  41.586  -7.032  31.044
  389    H    ARG  55           HN       ARG  55  49.156  -4.677  27.843
  390    HA   ARG  55           HA       ARG  55  50.613  -7.226  27.957
  391    HB2  ARG  55           HB2      ARG  55  50.909  -5.934  25.915
  392    HB3  ARG  55           HB1      ARG  55  51.403  -4.522  26.850
  393    HG2  ARG  55           HG2      ARG  55  53.503  -5.321  27.173
  394    HG3  ARG  55           HG1      ARG  55  52.928  -6.961  27.477
  395    HD2  ARG  55           HD2      ARG  55  52.915  -5.762  24.707
  396    HD3  ARG  55           HD1      ARG  55  54.329  -6.592  25.350
  397    HE   ARG  55           HE       ARG  55  51.971  -8.184  25.645
  398   HH11  ARG  55          HH21      ARG  55  54.344  -7.064  23.389
  399   HH12  ARG  55          HH22      ARG  55  54.194  -8.433  22.340
  400   HH21  ARG  55          HH11      ARG  55  51.769  -9.983  24.273
  401   HH22  ARG  55          HH12      ARG  55  52.736 -10.086  22.839
  402    H    LYS  56           HN       LYS  56  51.035  -3.844  29.032
  403    HA   LYS  56           HA       LYS  56  53.211  -4.364  30.748
  404    HB2  LYS  56           HB2      LYS  56  52.670  -2.173  31.761
  405    HB3  LYS  56           HB1      LYS  56  52.685  -2.106  29.998
  406    HG2  LYS  56           HG2      LYS  56  50.062  -2.816  30.606
  407    HG3  LYS  56           HG1      LYS  56  50.476  -1.631  31.847
  408    HD2  LYS  56           HD2      LYS  56  51.382  -0.165  29.973
  409    HD3  LYS  56           HD1      LYS  56  50.619  -1.288  28.846
  410    HE2  LYS  56           HE2      LYS  56  49.320   0.537  30.857
  411    HE3  LYS  56           HE1      LYS  56  48.959   0.348  29.142
  412    HZ1  LYS  56           HZ1      LYS  56  48.265  -1.441  31.383
  413    HZ2  LYS  56           HZ2      LYS  56  48.328  -2.029  29.790
  414    HZ3  LYS  56           HZ3      LYS  56  47.249  -0.780  30.197
  415    H    LYS  57           HN       LYS  57  49.730  -4.505  31.225
  416    HA   LYS  57           HA       LYS  57  49.883  -4.830  34.079
  417    HB2  LYS  57           HB2      LYS  57  47.599  -5.500  32.212
  418    HB3  LYS  57           HB1      LYS  57  47.505  -5.262  33.958
  419    HG2  LYS  57           HG2      LYS  57  48.584  -2.927  33.414
  420    HG3  LYS  57           HG1      LYS  57  47.956  -3.229  31.794
  421    HD2  LYS  57           HD2      LYS  57  46.093  -2.224  32.686
  422    HD3  LYS  57           HD1      LYS  57  45.768  -3.877  33.211
  423    HE2  LYS  57           HE2      LYS  57  47.001  -3.344  35.352
  424    HE3  LYS  57           HE1      LYS  57  47.043  -1.659  34.832
  425    HZ1  LYS  57           HZ1      LYS  57  44.815  -3.244  35.796
  426    HZ2  LYS  57           HZ2      LYS  57  44.469  -2.229  34.478
  427    HZ3  LYS  57           HZ3      LYS  57  45.093  -1.576  35.916
  428    H    GLY  58           HN       GLY  58  50.169  -6.895  31.334
  429    HA2  GLY  58           HA2      GLY  58  51.042  -9.120  32.815
  430    HA3  GLY  58           HA1      GLY  58  49.343  -9.358  32.416
  431    H    HIS  59           HN       HIS  59  52.588  -9.135  31.166
  432    HA   HIS  59           HA       HIS  59  52.034  -9.163  28.405
  433    HB2  HIS  59           HB2      HIS  59  54.265  -8.982  28.392
  434    HB3  HIS  59           HB1      HIS  59  54.334  -9.421  30.098
  435    HD2  HIS  59           HD2      HIS  59  54.713 -12.243  30.581
  436    HE1  HIS  59           HE1      HIS  59  55.717 -13.158  26.583
  437    HE2  HIS  59           HE2      HIS  59  55.677 -14.050  28.961
  438    H    HIS  60           HN       HIS  60  51.678 -11.577  30.818
  439    HA   HIS  60           HA       HIS  60  51.911 -13.869  29.107
  440    HB2  HIS  60           HB2      HIS  60  50.764 -15.034  31.031
  441    HB3  HIS  60           HB1      HIS  60  52.255 -14.194  31.457
  442    HD2  HIS  60           HD2      HIS  60  49.448 -11.647  31.050
  443    HE1  HIS  60           HE1      HIS  60  49.572 -12.568  35.169
  444    HE2  HIS  60           HE2      HIS  60  48.624 -10.973  33.435
  445    H    HIS  61           HN       HIS  61  49.114 -14.276  30.837
  446    HA   HIS  61           HA       HIS  61  47.119 -13.080  29.271
  447    HB2  HIS  61           HB2      HIS  61  46.449 -15.277  28.050
  448    HB3  HIS  61           HB1      HIS  61  47.722 -14.274  27.352
  449    HD2  HIS  61           HD2      HIS  61  47.382 -17.707  29.266
  450    HE1  HIS  61           HE1      HIS  61  51.331 -17.376  27.811
  451    HE2  HIS  61           HE2      HIS  61  49.671 -18.924  28.949
  452    H    HIS  62           HN       HIS  62  46.382 -12.966  31.470
  453    HA   HIS  62           HA       HIS  62  45.494 -15.492  32.676
  454    HB2  HIS  62           HB2      HIS  62  46.693 -13.908  34.121
  455    HB3  HIS  62           HB1      HIS  62  45.485 -12.671  33.776
  456    HD2  HIS  62           HD2      HIS  62  43.132 -12.882  35.281
  457    HE1  HIS  62           HE1      HIS  62  44.073 -16.518  37.211
  458    HE2  HIS  62           HE2      HIS  62  42.418 -14.593  37.119
  459    H    HIS  63           HN       HIS  63  44.302 -13.697  30.357
  460    HA   HIS  63           HA       HIS  63  42.212 -13.046  29.628
  461    HB2  HIS  63           HB2      HIS  63  42.176 -15.649  29.975
  462    HB3  HIS  63           HB1      HIS  63  41.066 -15.259  31.289
  463    HD2  HIS  63           HD2      HIS  63  41.091 -15.355  27.398
  464    HE1  HIS  63           HE1      HIS  63  37.330 -13.858  28.598
  465    HE2  HIS  63           HE2      HIS  63  38.687 -14.694  26.622
  466    H    HIS  64           HN       HIS  64  41.801 -11.080  30.567
  467    HA   HIS  64           HA       HIS  64  40.973  -9.538  32.075
  468    HB2  HIS  64           HB2      HIS  64  38.953 -10.929  31.078
  469    HB3  HIS  64           HB1      HIS  64  38.801 -11.478  32.748
  470    HD2  HIS  64           HD2      HIS  64  38.016  -8.338  30.629
  471    HE1  HIS  64           HE1      HIS  64  37.382  -7.281  34.667
  472    HE2  HIS  64           HE2      HIS  64  37.063  -6.536  32.261
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  97.572 -38.013  12.442
    2    H2   MET   1           HT2      MET   1  98.294 -36.636  11.756
    3    H3   MET   1           HT3      MET   1  98.782 -38.188  11.266
    4    HA   MET   1           HA       MET   1  97.226 -36.898   9.731
    5    HB2  MET   1           HB2      MET   1  95.929 -39.047   9.282
    6    HB3  MET   1           HB1      MET   1  97.686 -39.209   9.298
    7    HG2  MET   1           HG2      MET   1  96.075 -39.649  11.807
    8    HG3  MET   1           HG1      MET   1  96.291 -40.946  10.633
    9    HE1  MET   1           HE1      MET   1  98.502 -42.021   9.968
   10    HE2  MET   1           HE2      MET   1  97.726 -42.656  11.416
   11    HE3  MET   1           HE3      MET   1  99.476 -42.459  11.378
   12    H    GLU   2           HN       GLU   2  94.891 -36.729   9.279
   13    HA   GLU   2           HA       GLU   2  93.441 -35.975  11.712
   14    HB2  GLU   2           HB2      GLU   2  92.835 -35.464   8.789
   15    HB3  GLU   2           HB1      GLU   2  91.886 -34.854  10.146
   16    HG2  GLU   2           HG2      GLU   2  93.991 -33.758  11.010
   17    HG3  GLU   2           HG1      GLU   2  94.773 -34.210   9.496
   18    H    GLU   3           HN       GLU   3  92.519 -37.760  12.592
   19    HA   GLU   3           HA       GLU   3  91.625 -40.065  11.435
   20    HB2  GLU   3           HB2      GLU   3  90.539 -38.499  13.768
   21    HB3  GLU   3           HB1      GLU   3  89.837 -40.046  13.290
   22    HG2  GLU   3           HG2      GLU   3  91.826 -41.227  13.738
   23    HG3  GLU   3           HG1      GLU   3  92.807 -39.763  13.707
   24    H    GLY   4           HN       GLY   4  89.563 -37.208  12.035
   25    HA2  GLY   4           HA2      GLY   4  87.647 -38.241  10.050
   26    HA3  GLY   4           HA1      GLY   4  87.305 -37.013  11.265
   27    H    GLY   5           HN       GLY   5  87.048 -35.050  10.433
   28    HA2  GLY   5           HA2      GLY   5  88.893 -34.108   8.352
   29    HA3  GLY   5           HA1      GLY   5  87.166 -34.050   8.011
   30    H    ASP   6           HN       ASP   6  87.405 -31.734   7.820
   31    HA   ASP   6           HA       ASP   6  87.948 -30.284  10.315
   32    HB2  ASP   6           HB2      ASP   6  88.329 -29.727   7.535
   33    HB3  ASP   6           HB1      ASP   6  87.237 -28.516   8.205
   34    H    PHE   7           HN       PHE   7  85.404 -30.702   7.874
   35    HA   PHE   7           HA       PHE   7  83.144 -30.292   7.936
   36    HB2  PHE   7           HB2      PHE   7  83.576 -31.820  10.019
   37    HB3  PHE   7           HB1      PHE   7  83.247 -30.347  10.933
   38    HD1  PHE   7           HD2      PHE   7  81.854 -32.497   8.205
   39    HD2  PHE   7           HD1      PHE   7  81.032 -29.665  11.327
   40    HE1  PHE   7           HE2      PHE   7  79.419 -32.826   7.862
   41    HE2  PHE   7           HE1      PHE   7  78.598 -29.994  10.986
   42    HZ   PHE   7           HZ       PHE   7  77.791 -31.574   9.252
   43    H    ASP   8           HN       ASP   8  84.655 -28.022   7.653
   44    HA   ASP   8           HA       ASP   8  82.927 -26.040   8.933
   45    HB2  ASP   8           HB2      ASP   8  85.947 -25.942   9.126
   46    HB3  ASP   8           HB1      ASP   8  84.851 -24.652   9.617
   47    H    ASN   9           HN       ASN   9  82.582 -26.628   6.401
   48    HA   ASN   9           HA       ASN   9  83.568 -24.264   5.007
   49    HB2  ASN   9           HB2      ASN   9  85.259 -26.012   4.519
   50    HB3  ASN   9           HB1      ASN   9  83.983 -27.037   3.867
   51   HD21  ASN   9          HD21      ASN   9  85.416 -26.800   1.821
   52   HD22  ASN   9          HD22      ASN   9  85.115 -25.460   0.825
   53    H    TYR  10           HN       TYR  10  81.184 -24.001   5.524
   54    HA   TYR  10           HA       TYR  10  78.945 -24.123   4.945
   55    HB2  TYR  10           HB2      TYR  10  80.560 -23.213   2.813
   56    HB3  TYR  10           HB1      TYR  10  79.326 -24.252   2.100
   57    HD1  TYR  10           HD2      TYR  10  79.545 -21.708   4.858
   58    HD2  TYR  10           HD1      TYR  10  77.357 -23.175   1.465
   59    HE1  TYR  10           HE2      TYR  10  77.867 -19.907   5.161
   60    HE2  TYR  10           HE1      TYR  10  75.680 -21.375   1.767
   61    HH   TYR  10           HH       TYR  10  74.980 -19.720   3.089
   62    H    TYR  11           HN       TYR  11  80.475 -26.746   5.115
   63    HA   TYR  11           HA       TYR  11  80.189 -28.976   4.571
   64    HB2  TYR  11           HB2      TYR  11  77.265 -28.572   4.291
   65    HB3  TYR  11           HB1      TYR  11  78.157 -29.699   5.314
   66    HD1  TYR  11           HD1      TYR  11  79.017 -29.018   7.501
   67    HD2  TYR  11           HD2      TYR  11  76.831 -26.280   5.015
   68    HE1  TYR  11           HE1      TYR  11  78.747 -27.481   9.429
   69    HE2  TYR  11           HE2      TYR  11  76.563 -24.743   6.943
   70    HH   TYR  11           HH       TYR  11  76.622 -24.748   9.317
   71    H    GLY  12           HN       GLY  12  80.799 -27.427   2.306
   72    HA2  GLY  12           HA2      GLY  12  80.583 -27.341  -0.001
   73    HA3  GLY  12           HA1      GLY  12  80.425 -29.085   0.189
   74    H    ALA  13           HN       ALA  13  78.101 -26.799   1.478
   75    HA   ALA  13           HA       ALA  13  76.283 -26.796  -0.689
   76    HB1  ALA  13           HB1      ALA  13  75.981 -29.144  -0.307
   77    HB2  ALA  13           HB2      ALA  13  74.564 -28.325   0.352
   78    HB3  ALA  13           HB3      ALA  13  75.834 -28.901   1.433
   79    H    ASP  14           HN       ASP  14  75.431 -27.468   2.678
   80    HA   ASP  14           HA       ASP  14  74.540 -26.136   4.330
   81    HB2  ASP  14           HB2      ASP  14  76.486 -24.591   3.425
   82    HB3  ASP  14           HB1      ASP  14  75.139 -23.642   2.796
   83    H    ASN  15           HN       ASN  15  73.009 -27.096   2.056
   84    HA   ASN  15           HA       ASN  15  70.776 -25.187   2.234
   85    HB2  ASN  15           HB2      ASN  15  71.988 -24.847   0.064
   86    HB3  ASN  15           HB1      ASN  15  71.608 -26.518  -0.351
   87   HD21  ASN  15          HD21      ASN  15  70.545 -24.729  -2.093
   88   HD22  ASN  15          HD22      ASN  15  68.885 -24.499  -1.820
   89    H    GLN  16           HN       GLN  16  70.746 -27.255   3.855
   90    HA   GLN  16           HA       GLN  16  69.575 -29.608   2.630
   91    HB2  GLN  16           HB2      GLN  16  69.229 -30.222   5.114
   92    HB3  GLN  16           HB1      GLN  16  70.886 -30.105   4.522
   93    HG2  GLN  16           HG2      GLN  16  69.629 -27.621   5.595
   94    HG3  GLN  16           HG1      GLN  16  70.105 -28.860   6.756
   95   HE21  GLN  16          HE21      GLN  16  71.296 -26.082   5.733
   96   HE22  GLN  16          HE22      GLN  16  72.947 -26.448   5.581
   97    H    SER  17           HN       SER  17  68.488 -26.622   3.957
   98    HA   SER  17           HA       SER  17  65.756 -27.220   3.274
   99    HB2  SER  17           HB2      SER  17  66.165 -28.228   5.620
  100    HB3  SER  17           HB1      SER  17  66.228 -26.556   6.173
  101    HG   SER  17           HG       SER  17  64.106 -27.967   4.952
  102    H    GLU  18           HN       GLU  18  67.340 -25.317   2.214
  103    HA   GLU  18           HA       GLU  18  66.685 -22.795   3.587
  104    HB2  GLU  18           HB2      GLU  18  68.988 -23.654   2.272
  105    HB3  GLU  18           HB1      GLU  18  68.228 -22.540   1.136
  106    HG2  GLU  18           HG2      GLU  18  68.031 -20.856   2.953
  107    HG3  GLU  18           HG1      GLU  18  68.865 -21.962   4.043
  108    H    CYS  19           HN       CYS  19  66.664 -24.133   0.273
  109    HA   CYS  19           HA       CYS  19  64.490 -22.263  -0.403
  110    HB2  CYS  19           HB2      CYS  19  65.553 -22.054  -2.362
  111    HB3  CYS  19           HB1      CYS  19  66.790 -23.179  -1.804
  112    HG   CYS  19           HG       CYS  19  64.984 -23.852  -3.975
  113    H    GLU  20           HN       GLU  20  65.000 -25.456   0.514
  114    HA   GLU  20           HA       GLU  20  62.866 -26.628  -1.064
  115    HB2  GLU  20           HB2      GLU  20  64.443 -27.724   1.277
  116    HB3  GLU  20           HB1      GLU  20  63.316 -28.648   0.284
  117    HG2  GLU  20           HG2      GLU  20  64.686 -28.128  -1.720
  118    HG3  GLU  20           HG1      GLU  20  65.833 -27.269  -0.694
  119    H    TYR  21           HN       TYR  21  62.539 -24.357   1.016
  120    HA   TYR  21           HA       TYR  21  60.776 -25.537   2.990
  121    HB2  TYR  21           HB2      TYR  21  62.160 -23.053   2.656
  122    HB3  TYR  21           HB1      TYR  21  60.442 -22.718   2.874
  123    HD1  TYR  21           HD1      TYR  21  59.235 -23.610   4.876
  124    HD2  TYR  21           HD2      TYR  21  63.495 -23.938   4.440
  125    HE1  TYR  21           HE1      TYR  21  59.445 -24.097   7.298
  126    HE2  TYR  21           HE2      TYR  21  63.706 -24.425   6.863
  127    HH   TYR  21           HH       TYR  21  62.450 -25.158   8.704
  128    H    THR  22           HN       THR  22  60.419 -25.018  -0.203
  129    HA   THR  22           HA       THR  22  58.527 -25.114  -1.530
  130    HB   THR  22           HB       THR  22  56.672 -24.547   0.729
  131    HG1  THR  22           HG1      THR  22  57.358 -27.163   0.593
  132   HG21  THR  22          HG21      THR  22  55.355 -26.260  -0.412
  133   HG22  THR  22          HG22      THR  22  56.713 -26.629  -1.473
  134   HG23  THR  22          HG23      THR  22  55.909 -25.063  -1.582
  135    H    ASP  23           HN       ASP  23  60.001 -22.764  -1.151
  136    HA   ASP  23           HA       ASP  23  57.943 -20.780  -1.773
  137    HB2  ASP  23           HB2      ASP  23  59.084 -20.846   0.766
  138    HB3  ASP  23           HB1      ASP  23  60.002 -19.605  -0.085
  139    H    TRP  24           HN       TRP  24  60.291 -22.329  -3.008
  140    HA   TRP  24           HA       TRP  24  61.971 -20.081  -3.879
  141    HB2  TRP  24           HB2      TRP  24  63.500 -21.716  -4.708
  142    HB3  TRP  24           HB1      TRP  24  62.978 -22.283  -3.121
  143    HD1  TRP  24           HD1      TRP  24  60.837 -24.079  -3.195
  144    HE1  TRP  24           HE1      TRP  24  60.447 -26.014  -4.855
  145    HE3  TRP  24           HE3      TRP  24  63.881 -22.592  -7.016
  146    HZ2  TRP  24           HZ2      TRP  24  61.313 -26.824  -7.457
  147    HZ3  TRP  24           HZ3      TRP  24  64.080 -23.962  -9.071
  148    HH2  TRP  24           HH2      TRP  24  62.800 -26.074  -9.296
  149    H    LYS  25           HN       LYS  25  59.192 -21.693  -4.811
  150    HA   LYS  25           HA       LYS  25  59.669 -21.259  -7.685
  151    HB2  LYS  25           HB2      LYS  25  57.306 -22.426  -7.737
  152    HB3  LYS  25           HB1      LYS  25  58.767 -23.383  -7.497
  153    HG2  LYS  25           HG2      LYS  25  56.977 -23.967  -5.867
  154    HG3  LYS  25           HG1      LYS  25  58.429 -23.357  -5.075
  155    HD2  LYS  25           HD2      LYS  25  57.444 -21.237  -4.658
  156    HD3  LYS  25           HD1      LYS  25  56.135 -21.531  -5.805
  157    HE2  LYS  25           HE2      LYS  25  56.412 -23.449  -3.539
  158    HE3  LYS  25           HE1      LYS  25  55.797 -21.839  -3.162
  159    HZ1  LYS  25           HZ1      LYS  25  53.998 -23.333  -3.716
  160    HZ2  LYS  25           HZ2      LYS  25  54.709 -23.686  -5.218
  161    HZ3  LYS  25           HZ3      LYS  25  54.128 -22.122  -4.896
  162    H    SER  26           HN       SER  26  58.838 -19.359  -5.297
  163    HA   SER  26           HA       SER  26  57.222 -17.635  -6.948
  164    HB2  SER  26           HB2      SER  26  56.030 -19.072  -4.593
  165    HB3  SER  26           HB1      SER  26  55.450 -17.475  -5.062
  166    HG   SER  26           HG       SER  26  54.719 -18.274  -6.924
  167    H    SER  27           HN       SER  27  56.895 -17.585  -3.487
  168    HA   SER  27           HA       SER  27  57.613 -16.090  -1.898
  169    HB2  SER  27           HB2      SER  27  59.818 -16.391  -1.642
  170    HB3  SER  27           HB1      SER  27  59.916 -17.019  -3.285
  171    HG   SER  27           HG       SER  27  60.253 -14.941  -4.027
  172    H    GLY  28           HN       GLY  28  56.709 -15.230  -4.845
  173    HA2  GLY  28           HA2      GLY  28  56.753 -12.381  -4.199
  174    HA3  GLY  28           HA1      GLY  28  57.523 -12.852  -5.712
  175    H    ALA  29           HN       ALA  29  54.644 -14.294  -4.244
  176    HA   ALA  29           HA       ALA  29  52.880 -12.984  -6.154
  177    HB1  ALA  29           HB1      ALA  29  52.206 -15.697  -6.432
  178    HB2  ALA  29           HB2      ALA  29  53.957 -15.624  -6.628
  179    HB3  ALA  29           HB3      ALA  29  52.912 -14.646  -7.659
  180    H    LEU  30           HN       LEU  30  53.429 -15.108  -3.439
  181    HA   LEU  30           HA       LEU  30  50.588 -14.882  -2.660
  182    HB2  LEU  30           HB2      LEU  30  52.665 -16.751  -1.510
  183    HB3  LEU  30           HB1      LEU  30  50.918 -16.815  -1.281
  184    HG   LEU  30           HG       LEU  30  51.113 -16.858  -4.016
  185   HD11  LEU  30          HD11      LEU  30  53.651 -17.071  -3.618
  186   HD12  LEU  30          HD12      LEU  30  52.908 -18.254  -4.695
  187   HD13  LEU  30          HD13      LEU  30  53.298 -18.697  -3.033
  188   HD21  LEU  30          HD21      LEU  30  50.655 -19.296  -3.780
  189   HD22  LEU  30          HD22      LEU  30  49.710 -18.331  -2.644
  190   HD23  LEU  30          HD23      LEU  30  51.139 -19.202  -2.087
  191    H    ILE  31           HN       ILE  31  53.686 -13.684  -2.007
  192    HA   ILE  31           HA       ILE  31  53.395 -13.246   0.806
  193    HB   ILE  31           HB       ILE  31  55.343 -12.454  -1.297
  194   HG12  ILE  31          HG12      ILE  31  56.904 -13.341   0.354
  195   HG13  ILE  31          HG11      ILE  31  55.621 -13.422   1.561
  196   HG21  ILE  31          HG21      ILE  31  56.459 -10.967   0.465
  197   HG22  ILE  31          HG22      ILE  31  54.898 -10.928   1.279
  198   HG23  ILE  31          HG23      ILE  31  55.060 -10.277  -0.355
  199   HD11  ILE  31          HD11      ILE  31  55.193 -14.823  -1.047
  200   HD12  ILE  31          HD12      ILE  31  54.602 -15.244   0.561
  201   HD13  ILE  31          HD13      ILE  31  56.282 -15.563   0.127
  202    HA   PRO  32           HA       PRO  32  51.921  -8.930  -0.472
  203    HB2  PRO  32           HB2      PRO  32  51.155  -8.448  -3.025
  204    HB3  PRO  32           HB1      PRO  32  52.850  -8.364  -2.512
  205    HG2  PRO  32           HG2      PRO  32  51.469 -10.413  -4.113
  206    HG3  PRO  32           HG1      PRO  32  53.173  -9.942  -4.103
  207    HD2  PRO  32           HD2      PRO  32  52.006 -12.198  -2.805
  208    HD3  PRO  32           HD1      PRO  32  53.685 -11.635  -2.673
  209    H    ALA  33           HN       ALA  33  50.414 -11.564  -0.201
  210    HA   ALA  33           HA       ALA  33  47.714 -10.463  -0.674
  211    HB1  ALA  33           HB1      ALA  33  47.109 -12.996  -0.983
  212    HB2  ALA  33           HB2      ALA  33  48.812 -13.152  -1.416
  213    HB3  ALA  33           HB3      ALA  33  47.760 -12.080  -2.342
  214    H    ILE  34           HN       ILE  34  49.903 -11.346   1.569
  215    HA   ILE  34           HA       ILE  34  47.806 -11.923   3.541
  216    HB   ILE  34           HB       ILE  34  49.134 -13.725   4.545
  217   HG12  ILE  34          HG12      ILE  34  50.998 -12.988   2.297
  218   HG13  ILE  34          HG11      ILE  34  51.372 -13.280   3.996
  219   HG21  ILE  34          HG21      ILE  34  48.492 -15.390   3.015
  220   HG22  ILE  34          HG22      ILE  34  48.872 -14.383   1.617
  221   HG23  ILE  34          HG23      ILE  34  47.440 -14.040   2.586
  222   HD11  ILE  34          HD11      ILE  34  50.786 -15.280   1.826
  223   HD12  ILE  34          HD12      ILE  34  50.532 -15.700   3.519
  224   HD13  ILE  34          HD13      ILE  34  52.139 -15.240   2.957
  225    H    TYR  35           HN       TYR  35  51.240 -11.225   2.959
  226    HA   TYR  35           HA       TYR  35  51.630 -10.159   5.616
  227    HB2  TYR  35           HB2      TYR  35  53.335 -10.339   3.141
  228    HB3  TYR  35           HB1      TYR  35  53.850  -9.400   4.543
  229    HD1  TYR  35           HD2      TYR  35  53.741 -10.608   6.857
  230    HD2  TYR  35           HD1      TYR  35  53.743 -12.648   3.078
  231    HE1  TYR  35           HE2      TYR  35  54.482 -12.691   7.982
  232    HE2  TYR  35           HE1      TYR  35  54.483 -14.731   4.202
  233    HH   TYR  35           HH       TYR  35  54.819 -14.891   7.735
  234    H    MET  36           HN       MET  36  49.563  -8.966   3.824
  235    HA   MET  36           HA       MET  36  50.472  -6.175   4.072
  236    HB2  MET  36           HB2      MET  36  48.917  -7.196   1.689
  237    HB3  MET  36           HB1      MET  36  49.590  -5.582   1.919
  238    HG2  MET  36           HG2      MET  36  51.212  -8.137   1.720
  239    HG3  MET  36           HG1      MET  36  51.016  -6.953   0.428
  240    HE1  MET  36           HE1      MET  36  54.701  -6.817   2.032
  241    HE2  MET  36           HE2      MET  36  53.756  -7.384   0.657
  242    HE3  MET  36           HE3      MET  36  53.608  -8.195   2.214
  243    H    LEU  37           HN       LEU  37  47.613  -8.108   3.141
  244    HA   LEU  37           HA       LEU  37  45.749  -6.223   4.187
  245    HB2  LEU  37           HB2      LEU  37  45.412  -9.156   3.511
  246    HB3  LEU  37           HB1      LEU  37  44.094  -8.034   3.849
  247    HG   LEU  37           HG       LEU  37  46.019  -7.093   1.817
  248   HD11  LEU  37          HD11      LEU  37  46.014  -9.408   1.142
  249   HD12  LEU  37          HD12      LEU  37  44.922  -8.546   0.057
  250   HD13  LEU  37          HD13      LEU  37  44.269  -9.526   1.371
  251   HD21  LEU  37          HD21      LEU  37  43.769  -6.078   2.549
  252   HD22  LEU  37          HD22      LEU  37  43.014  -7.394   1.650
  253   HD23  LEU  37          HD23      LEU  37  44.041  -6.230   0.813
  254    H    VAL  38           HN       VAL  38  47.948  -7.812   5.871
  255    HA   VAL  38           HA       VAL  38  46.205  -8.038   8.234
  256    HB   VAL  38           HB       VAL  38  48.362 -10.050   7.575
  257   HG11  VAL  38          HG11      VAL  38  47.183 -11.318   9.399
  258   HG12  VAL  38          HG12      VAL  38  46.199  -9.884   9.692
  259   HG13  VAL  38          HG13      VAL  38  47.943  -9.826   9.953
  260   HG21  VAL  38          HG21      VAL  38  46.515 -10.247   5.964
  261   HG22  VAL  38          HG22      VAL  38  45.347 -10.252   7.285
  262   HG23  VAL  38          HG23      VAL  38  46.475 -11.595   7.101
  263    H    PHE  39           HN       PHE  39  49.605  -8.196   7.155
  264    HA   PHE  39           HA       PHE  39  50.832  -7.476   9.540
  265    HB2  PHE  39           HB2      PHE  39  51.750  -8.066   7.082
  266    HB3  PHE  39           HB1      PHE  39  51.965  -6.315   7.052
  267    HD1  PHE  39           HD2      PHE  39  52.670  -9.348   9.123
  268    HD2  PHE  39           HD1      PHE  39  53.784  -5.311   8.162
  269    HE1  PHE  39           HE2      PHE  39  54.695  -9.569  10.538
  270    HE2  PHE  39           HE1      PHE  39  55.809  -5.533   9.577
  271    HZ   PHE  39           HZ       PHE  39  56.265  -7.663  10.765
  272    H    LEU  40           HN       LEU  40  49.417  -5.416   7.033
  273    HA   LEU  40           HA       LEU  40  50.002  -3.037   8.666
  274    HB2  LEU  40           HB2      LEU  40  49.190  -3.404   5.782
  275    HB3  LEU  40           HB1      LEU  40  49.168  -1.830   6.577
  276    HG   LEU  40           HG       LEU  40  51.646  -3.453   6.882
  277   HD11  LEU  40          HD11      LEU  40  52.483  -2.600   4.684
  278   HD12  LEU  40          HD12      LEU  40  50.846  -2.062   4.308
  279   HD13  LEU  40          HD13      LEU  40  51.184  -3.780   4.511
  280   HD21  LEU  40          HD21      LEU  40  51.336  -1.203   7.900
  281   HD22  LEU  40          HD22      LEU  40  51.112  -0.524   6.288
  282   HD23  LEU  40          HD23      LEU  40  52.665  -1.225   6.741
  283    H    LEU  41           HN       LEU  41  48.056  -4.771   9.674
  284    HA   LEU  41           HA       LEU  41  45.800  -2.973   9.806
  285    HB2  LEU  41           HB2      LEU  41  45.096  -4.156   7.842
  286    HB3  LEU  41           HB1      LEU  41  45.532  -5.711   8.549
  287    HG   LEU  41           HG       LEU  41  43.740  -5.572  10.155
  288   HD11  LEU  41          HD11      LEU  41  43.551  -2.719   9.189
  289   HD12  LEU  41          HD12      LEU  41  43.720  -3.309  10.843
  290   HD13  LEU  41          HD13      LEU  41  42.189  -3.504   9.990
  291   HD21  LEU  41          HD21      LEU  41  43.336  -5.700   7.417
  292   HD22  LEU  41          HD22      LEU  41  42.158  -4.493   7.934
  293   HD23  LEU  41          HD23      LEU  41  42.139  -6.106   8.646
  294    H    GLY  42           HN       GLY  42  46.386  -6.449  10.394
  295    HA2  GLY  42           HA2      GLY  42  45.026  -6.720  12.773
  296    HA3  GLY  42           HA1      GLY  42  46.459  -7.657  12.360
  297    H    THR  43           HN       THR  43  47.784  -4.820  12.187
  298    HA   THR  43           HA       THR  43  48.066  -4.311  15.072
  299    HB   THR  43           HB       THR  43  49.933  -5.693  14.790
  300    HG1  THR  43           HG1      THR  43  50.293  -3.177  15.120
  301   HG21  THR  43          HG21      THR  43  49.909  -4.579  12.019
  302   HG22  THR  43          HG22      THR  43  50.085  -6.250  12.556
  303   HG23  THR  43          HG23      THR  43  51.449  -5.138  12.672
  304    H    THR  44           HN       THR  44  50.395  -3.061  12.886
  305    HA   THR  44           HA       THR  44  50.958  -0.822  12.568
  306    HB   THR  44           HB       THR  44  49.899  -1.450  10.489
  307    HG1  THR  44           HG1      THR  44  49.347   0.577   9.847
  308   HG21  THR  44          HG21      THR  44  47.795  -2.337  11.238
  309   HG22  THR  44          HG22      THR  44  47.431  -0.964  10.195
  310   HG23  THR  44          HG23      THR  44  47.329  -0.790  11.946
  311    H    GLY  45           HN       GLY  45  50.043  -0.943  15.126
  312    HA2  GLY  45           HA2      GLY  45  49.648   0.920  16.581
  313    HA3  GLY  45           HA1      GLY  45  48.582   1.606  15.358
  314    H    ASN  46           HN       ASN  46  46.947  -0.501  14.741
  315    HA   ASN  46           HA       ASN  46  45.040  -0.449  16.805
  316    HB2  ASN  46           HB2      ASN  46  45.109  -2.681  14.805
  317    HB3  ASN  46           HB1      ASN  46  43.725  -1.784  15.428
  318   HD21  ASN  46          HD21      ASN  46  44.523  -2.188  12.563
  319   HD22  ASN  46          HD22      ASN  46  44.725  -0.627  11.928
  320    H    GLY  47           HN       GLY  47  47.933  -2.080  16.712
  321    HA2  GLY  47           HA2      GLY  47  46.963  -4.327  18.360
  322    HA3  GLY  47           HA1      GLY  47  48.526  -4.254  17.551
  323    H    LEU  48           HN       LEU  48  49.807  -2.159  18.287
  324    HA   LEU  48           HA       LEU  48  50.260  -2.495  21.114
  325    HB2  LEU  48           HB2      LEU  48  52.023  -0.737  20.724
  326    HB3  LEU  48           HB1      LEU  48  52.185  -2.173  19.713
  327    HG   LEU  48           HG       LEU  48  50.465  -0.115  18.524
  328   HD11  LEU  48          HD11      LEU  48  51.992   1.428  19.601
  329   HD12  LEU  48          HD12      LEU  48  52.425   1.332  17.894
  330   HD13  LEU  48          HD13      LEU  48  53.384   0.470  19.098
  331   HD21  LEU  48          HD21      LEU  48  51.676  -0.723  16.547
  332   HD22  LEU  48          HD22      LEU  48  51.460  -2.215  17.463
  333   HD23  LEU  48          HD23      LEU  48  53.014  -1.380  17.489
  334    H    VAL  49           HN       VAL  49  47.676  -1.576  20.740
  335    HA   VAL  49           HA       VAL  49  47.845   1.069  22.021
  336    HB   VAL  49           HB       VAL  49  46.159   0.321  19.637
  337   HG11  VAL  49          HG11      VAL  49  44.500   1.274  20.976
  338   HG12  VAL  49          HG12      VAL  49  45.158   2.697  20.166
  339   HG13  VAL  49          HG13      VAL  49  45.642   2.320  21.819
  340   HG21  VAL  49          HG21      VAL  49  47.736   2.837  20.231
  341   HG22  VAL  49          HG22      VAL  49  47.126   2.285  18.671
  342   HG23  VAL  49          HG23      VAL  49  48.458   1.431  19.449
  343    H    LEU  50           HN       LEU  50  45.696  -1.637  21.154
  344    HA   LEU  50           HA       LEU  50  44.176  -1.172  23.633
  345    HB2  LEU  50           HB2      LEU  50  42.467  -2.604  22.653
  346    HB3  LEU  50           HB1      LEU  50  42.907  -1.340  21.504
  347    HG   LEU  50           HG       LEU  50  44.713  -3.345  20.912
  348   HD11  LEU  50          HD11      LEU  50  43.557  -5.430  20.851
  349   HD12  LEU  50          HD12      LEU  50  42.019  -4.671  21.262
  350   HD13  LEU  50          HD13      LEU  50  43.292  -4.797  22.475
  351   HD21  LEU  50          HD21      LEU  50  43.211  -3.724  18.928
  352   HD22  LEU  50          HD22      LEU  50  43.525  -2.020  19.258
  353   HD23  LEU  50          HD23      LEU  50  41.986  -2.740  19.729
  354    H    TRP  51           HN       TRP  51  46.342  -3.394  22.069
  355    HA   TRP  51           HA       TRP  51  45.849  -5.495  24.041
  356    HB2  TRP  51           HB2      TRP  51  46.414  -6.757  22.274
  357    HB3  TRP  51           HB1      TRP  51  46.998  -5.351  21.383
  358    HD1  TRP  51           HD1      TRP  51  49.562  -4.690  21.646
  359    HE1  TRP  51           HE1      TRP  51  51.615  -6.048  22.417
  360    HE3  TRP  51           HE3      TRP  51  47.220  -8.643  23.876
  361    HZ2  TRP  51           HZ2      TRP  51  52.186  -8.488  23.797
  362    HZ3  TRP  51           HZ3      TRP  51  48.541 -10.467  24.909
  363    HH2  TRP  51           HH2      TRP  51  51.019 -10.394  24.872
  364    H    THR  52           HN       THR  52  47.928  -2.820  23.533
  365    HA   THR  52           HA       THR  52  50.206  -3.764  24.977
  366    HB   THR  52           HB       THR  52  50.188  -1.824  23.362
  367    HG1  THR  52           HG1      THR  52  51.714  -2.258  25.228
  368   HG21  THR  52          HG21      THR  52  49.208   0.209  23.908
  369   HG22  THR  52          HG22      THR  52  49.237  -0.127  25.640
  370   HG23  THR  52          HG23      THR  52  48.044  -0.917  24.609
  371    H    VAL  53           HN       VAL  53  47.168  -2.292  25.865
  372    HA   VAL  53           HA       VAL  53  47.832  -1.367  28.441
  373    HB   VAL  53           HB       VAL  53  45.167  -2.497  27.561
  374   HG11  VAL  53          HG11      VAL  53  46.012  -0.478  29.662
  375   HG12  VAL  53          HG12      VAL  53  45.287  -2.061  29.947
  376   HG13  VAL  53          HG13      VAL  53  44.337  -0.778  29.196
  377   HG21  VAL  53          HG21      VAL  53  46.669  -0.242  26.563
  378   HG22  VAL  53          HG22      VAL  53  45.222   0.331  27.395
  379   HG23  VAL  53          HG23      VAL  53  45.078  -0.816  26.062
  380    H    PHE  54           HN       PHE  54  46.509  -4.493  27.363
  381    HA   PHE  54           HA       PHE  54  46.437  -5.657  29.958
  382    HB2  PHE  54           HB2      PHE  54  45.926  -6.493  27.214
  383    HB3  PHE  54           HB1      PHE  54  46.703  -7.760  28.162
  384    HD1  PHE  54           HD1      PHE  54  43.867  -5.329  28.210
  385    HD2  PHE  54           HD2      PHE  54  45.482  -8.992  29.765
  386    HE1  PHE  54           HE1      PHE  54  41.718  -5.788  29.359
  387    HE2  PHE  54           HE2      PHE  54  43.333  -9.452  30.915
  388    HZ   PHE  54           HZ       PHE  54  41.451  -7.850  30.712
  389    H    ARG  55           HN       ARG  55  49.017  -4.800  28.005
  390    HA   ARG  55           HA       ARG  55  50.765  -6.935  29.032
  391    HB2  ARG  55           HB2      ARG  55  50.921  -6.528  26.635
  392    HB3  ARG  55           HB1      ARG  55  51.239  -4.817  26.921
  393    HG2  ARG  55           HG2      ARG  55  53.347  -5.282  27.948
  394    HG3  ARG  55           HG1      ARG  55  52.990  -7.007  28.056
  395    HD2  ARG  55           HD2      ARG  55  52.929  -7.102  25.559
  396    HD3  ARG  55           HD1      ARG  55  53.421  -5.411  25.515
  397    HE   ARG  55           HE       ARG  55  55.261  -6.849  27.101
  398   HH11  ARG  55          HH21      ARG  55  54.165  -6.534  23.833
  399   HH12  ARG  55          HH22      ARG  55  55.686  -6.978  23.135
  400   HH21  ARG  55          HH11      ARG  55  57.259  -7.432  26.191
  401   HH22  ARG  55          HH12      ARG  55  57.439  -7.486  24.470
  402    H    LYS  56           HN       LYS  56  50.555  -3.387  28.817
  403    HA   LYS  56           HA       LYS  56  52.820  -2.642  30.183
  404    HB2  LYS  56           HB2      LYS  56  50.080  -1.394  30.503
  405    HB3  LYS  56           HB1      LYS  56  51.627  -0.614  30.829
  406    HG2  LYS  56           HG2      LYS  56  51.714  -1.729  28.190
  407    HG3  LYS  56           HG1      LYS  56  50.242  -0.771  28.345
  408    HD2  LYS  56           HD2      LYS  56  51.547   1.143  29.159
  409    HD3  LYS  56           HD1      LYS  56  53.027   0.190  29.060
  410    HE2  LYS  56           HE2      LYS  56  52.607  -0.111  26.608
  411    HE3  LYS  56           HE1      LYS  56  51.231   0.983  26.750
  412    HZ1  LYS  56           HZ1      LYS  56  53.092   2.448  27.913
  413    HZ2  LYS  56           HZ2      LYS  56  52.808   2.493  26.239
  414    HZ3  LYS  56           HZ3      LYS  56  54.084   1.560  26.863
  415    H    LYS  57           HN       LYS  57  50.123  -4.385  31.388
  416    HA   LYS  57           HA       LYS  57  50.061  -3.714  34.084
  417    HB2  LYS  57           HB2      LYS  57  49.787  -6.505  32.945
  418    HB3  LYS  57           HB1      LYS  57  49.127  -5.915  34.471
  419    HG2  LYS  57           HG2      LYS  57  48.034  -4.086  32.860
  420    HG3  LYS  57           HG1      LYS  57  48.213  -5.383  31.678
  421    HD2  LYS  57           HD2      LYS  57  46.121  -5.886  32.560
  422    HD3  LYS  57           HD1      LYS  57  47.160  -6.859  33.601
  423    HE2  LYS  57           HE2      LYS  57  45.887  -5.757  35.198
  424    HE3  LYS  57           HE1      LYS  57  47.241  -4.638  35.044
  425    HZ1  LYS  57           HZ1      LYS  57  45.124  -4.214  33.133
  426    HZ2  LYS  57           HZ2      LYS  57  45.961  -3.093  34.097
  427    HZ3  LYS  57           HZ3      LYS  57  44.655  -3.966  34.745
  428    H    GLY  58           HN       GLY  58  52.508  -5.356  32.280
  429    HA2  GLY  58           HA2      GLY  58  54.678  -5.148  33.715
  430    HA3  GLY  58           HA1      GLY  58  53.833  -6.319  34.722
  431    H    HIS  59           HN       HIS  59  54.262  -5.919  31.199
  432    HA   HIS  59           HA       HIS  59  54.752  -7.475  29.568
  433    HB2  HIS  59           HB2      HIS  59  56.708  -8.554  31.599
  434    HB3  HIS  59           HB1      HIS  59  56.857  -8.549  29.841
  435    HD2  HIS  59           HD2      HIS  59  56.396  -5.445  29.113
  436    HE1  HIS  59           HE1      HIS  59  59.230  -4.560  32.113
  437    HE2  HIS  59           HE2      HIS  59  58.015  -3.640  30.082
  438    H    HIS  60           HN       HIS  60  52.526  -8.365  30.221
  439    HA   HIS  60           HA       HIS  60  51.144 -10.128  30.810
  440    HB2  HIS  60           HB2      HIS  60  51.614 -12.085  29.559
  441    HB3  HIS  60           HB1      HIS  60  52.334 -10.765  28.637
  442    HD2  HIS  60           HD2      HIS  60  55.151 -10.831  28.474
  443    HE1  HIS  60           HE1      HIS  60  55.687 -14.333  30.770
  444    HE2  HIS  60           HE2      HIS  60  56.854 -12.638  29.280
  445    H    HIS  61           HN       HIS  61  53.247  -9.370  32.812
  446    HA   HIS  61           HA       HIS  61  52.973 -11.763  34.469
  447    HB2  HIS  61           HB2      HIS  61  55.301 -11.500  33.123
  448    HB3  HIS  61           HB1      HIS  61  55.670 -10.538  34.555
  449    HD2  HIS  61           HD2      HIS  61  53.755 -12.631  36.540
  450    HE1  HIS  61           HE1      HIS  61  56.818 -15.358  35.539
  451    HE2  HIS  61           HE2      HIS  61  54.910 -14.892  37.149
  452    H    HIS  62           HN       HIS  62  51.788 -10.835  36.046
  453    HA   HIS  62           HA       HIS  62  52.223  -8.143  36.951
  454    HB2  HIS  62           HB2      HIS  62  50.667 -10.236  38.454
  455    HB3  HIS  62           HB1      HIS  62  50.393  -8.495  38.385
  456    HD2  HIS  62           HD2      HIS  62  50.081  -7.915  35.253
  457    HE1  HIS  62           HE1      HIS  62  47.436 -11.203  35.108
  458    HE2  HIS  62           HE2      HIS  62  48.217  -9.121  33.879
  459    H    HIS  63           HN       HIS  63  54.545  -9.883  37.117
  460    HA   HIS  63           HA       HIS  63  56.146 -10.640  38.610
  461    HB2  HIS  63           HB2      HIS  63  56.855  -8.908  40.137
  462    HB3  HIS  63           HB1      HIS  63  56.303  -8.141  38.648
  463    HD2  HIS  63           HD2      HIS  63  53.939  -6.598  38.907
  464    HE1  HIS  63           HE1      HIS  63  53.491  -7.144  43.070
  465    HE2  HIS  63           HE2      HIS  63  52.643  -5.859  41.050
  466    H    HIS  64           HN       HIS  64  53.700 -11.933  39.066
  467    HA   HIS  64           HA       HIS  64  53.960 -12.487  41.935
  468    HB2  HIS  64           HB2      HIS  64  51.833 -10.969  40.921
  469    HB3  HIS  64           HB1      HIS  64  51.173 -12.587  41.160
  470    HD2  HIS  64           HD2      HIS  64  53.737 -10.623  43.507
  471    HE1  HIS  64           HE1      HIS  64  50.439 -11.913  45.806
  472    HE2  HIS  64           HE2      HIS  64  52.689 -10.737  45.896
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  83.686 -25.550  -5.890
    2    H2   MET   1           HT2      MET   1  84.610 -24.919  -4.612
    3    H3   MET   1           HT3      MET   1  84.412 -24.024  -6.043
    4    HA   MET   1           HA       MET   1  81.977 -23.966  -5.583
    5    HB2  MET   1           HB2      MET   1  83.023 -25.260  -3.067
    6    HB3  MET   1           HB1      MET   1  81.532 -24.318  -3.054
    7    HG2  MET   1           HG2      MET   1  80.444 -25.788  -4.538
    8    HG3  MET   1           HG1      MET   1  81.962 -26.491  -5.096
    9    HE1  MET   1           HE1      MET   1  79.636 -25.824  -2.259
   10    HE2  MET   1           HE2      MET   1  81.063 -25.772  -1.227
   11    HE3  MET   1           HE3      MET   1  79.906 -27.089  -1.051
   12    H    GLU   2           HN       GLU   2  81.642 -21.839  -5.430
   13    HA   GLU   2           HA       GLU   2  83.604 -20.000  -4.630
   14    HB2  GLU   2           HB2      GLU   2  81.605 -18.380  -4.570
   15    HB3  GLU   2           HB1      GLU   2  81.945 -19.190  -6.100
   16    HG2  GLU   2           HG2      GLU   2  80.192 -20.786  -5.748
   17    HG3  GLU   2           HG1      GLU   2  79.981 -20.278  -4.073
   18    H    GLU   3           HN       GLU   3  83.839 -18.722  -2.791
   19    HA   GLU   3           HA       GLU   3  82.664 -19.877  -0.354
   20    HB2  GLU   3           HB2      GLU   3  85.065 -18.094  -0.802
   21    HB3  GLU   3           HB1      GLU   3  84.468 -18.550   0.795
   22    HG2  GLU   3           HG2      GLU   3  84.752 -20.849  -0.989
   23    HG3  GLU   3           HG1      GLU   3  86.277 -20.001  -0.736
   24    H    GLY   4           HN       GLY   4  81.352 -17.933  -2.266
   25    HA2  GLY   4           HA2      GLY   4  79.579 -16.465  -1.612
   26    HA3  GLY   4           HA1      GLY   4  80.529 -15.995  -0.206
   27    H    GLY   5           HN       GLY   5  82.830 -15.113  -0.978
   28    HA2  GLY   5           HA2      GLY   5  83.543 -13.859  -3.197
   29    HA3  GLY   5           HA1      GLY   5  82.209 -12.824  -2.693
   30    H    ASP   6           HN       ASP   6  84.046 -11.227  -2.672
   31    HA   ASP   6           HA       ASP   6  85.692 -11.409  -0.237
   32    HB2  ASP   6           HB2      ASP   6  86.177 -10.441  -2.870
   33    HB3  ASP   6           HB1      ASP   6  86.265  -9.068  -1.768
   34    H    PHE   7           HN       PHE   7  83.201  -9.494  -1.809
   35    HA   PHE   7           HA       PHE   7  82.715  -8.123   0.743
   36    HB2  PHE   7           HB2      PHE   7  83.187  -6.778  -1.919
   37    HB3  PHE   7           HB1      PHE   7  82.330  -5.986  -0.596
   38    HD1  PHE   7           HD1      PHE   7  83.503  -5.838   1.685
   39    HD2  PHE   7           HD2      PHE   7  85.547  -6.838  -1.958
   40    HE1  PHE   7           HE1      PHE   7  85.668  -5.247   2.739
   41    HE2  PHE   7           HE2      PHE   7  87.712  -6.247  -0.904
   42    HZ   PHE   7           HZ       PHE   7  87.774  -5.452   1.444
   43    H    ASP   8           HN       ASP   8  81.267 -10.251  -0.237
   44    HA   ASP   8           HA       ASP   8  78.750  -8.967  -1.126
   45    HB2  ASP   8           HB2      ASP   8  78.215 -10.856  -2.429
   46    HB3  ASP   8           HB1      ASP   8  79.918 -10.558  -2.773
   47    H    ASN   9           HN       ASN   9  79.490  -9.154   1.577
   48    HA   ASN   9           HA       ASN   9  77.411 -11.003   2.541
   49    HB2  ASN   9           HB2      ASN   9  80.178 -10.713   3.733
   50    HB3  ASN   9           HB1      ASN   9  78.850 -11.614   4.461
   51   HD21  ASN   9          HD21      ASN   9  77.878 -12.582   1.782
   52   HD22  ASN   9          HD22      ASN   9  78.988 -13.777   1.312
   53    H    TYR  10           HN       TYR  10  79.720  -9.052   4.369
   54    HA   TYR  10           HA       TYR  10  77.624  -7.802   5.873
   55    HB2  TYR  10           HB2      TYR  10  80.513  -7.994   5.986
   56    HB3  TYR  10           HB1      TYR  10  79.976  -6.341   6.283
   57    HD1  TYR  10           HD1      TYR  10  78.351  -5.855   8.109
   58    HD2  TYR  10           HD2      TYR  10  80.034  -9.767   7.541
   59    HE1  TYR  10           HE1      TYR  10  77.630  -6.498  10.394
   60    HE2  TYR  10           HE2      TYR  10  79.314 -10.409   9.825
   61    HH   TYR  10           HH       TYR  10  77.085  -9.048  11.498
   62    H    TYR  11           HN       TYR  11  78.101  -7.353   2.819
   63    HA   TYR  11           HA       TYR  11  77.424  -4.509   2.917
   64    HB2  TYR  11           HB2      TYR  11  79.577  -5.520   1.052
   65    HB3  TYR  11           HB1      TYR  11  79.059  -3.851   1.291
   66    HD1  TYR  11           HD1      TYR  11  79.300  -2.862   3.672
   67    HD2  TYR  11           HD2      TYR  11  81.319  -6.417   2.353
   68    HE1  TYR  11           HE1      TYR  11  80.942  -2.615   5.516
   69    HE2  TYR  11           HE2      TYR  11  82.960  -6.169   4.196
   70    HH   TYR  11           HH       TYR  11  83.165  -3.304   6.100
   71    H    GLY  12           HN       GLY  12  75.336  -5.263   2.324
   72    HA2  GLY  12           HA2      GLY  12  74.420  -4.999  -0.150
   73    HA3  GLY  12           HA1      GLY  12  75.044  -6.643  -0.237
   74    H    ALA  13           HN       ALA  13  74.407  -7.661   2.220
   75    HA   ALA  13           HA       ALA  13  71.855  -7.156   3.230
   76    HB1  ALA  13           HB1      ALA  13  70.670  -7.724   1.345
   77    HB2  ALA  13           HB2      ALA  13  70.835  -9.324   2.066
   78    HB3  ALA  13           HB3      ALA  13  71.917  -8.828   0.764
   79    H    ASP  14           HN       ASP  14  73.412  -7.689   4.956
   80    HA   ASP  14           HA       ASP  14  74.195 -10.470   5.244
   81    HB2  ASP  14           HB2      ASP  14  75.233  -8.099   6.170
   82    HB3  ASP  14           HB1      ASP  14  74.427  -8.739   7.602
   83    H    ASN  15           HN       ASN  15  72.331  -8.225   7.309
   84    HA   ASN  15           HA       ASN  15  70.089  -9.891   7.621
   85    HB2  ASN  15           HB2      ASN  15  70.595 -10.530  10.068
   86    HB3  ASN  15           HB1      ASN  15  71.347 -11.492   8.797
   87   HD21  ASN  15          HD21      ASN  15  72.467  -8.215   9.536
   88   HD22  ASN  15          HD22      ASN  15  73.951  -8.688  10.208
   89    H    GLN  16           HN       GLN  16  69.680  -7.491   7.202
   90    HA   GLN  16           HA       GLN  16  69.842  -5.806   9.579
   91    HB2  GLN  16           HB2      GLN  16  68.557  -5.148   6.925
   92    HB3  GLN  16           HB1      GLN  16  69.105  -4.022   8.167
   93    HG2  GLN  16           HG2      GLN  16  70.960  -3.917   6.828
   94    HG3  GLN  16           HG1      GLN  16  71.409  -5.358   7.739
   95   HE21  GLN  16          HE21      GLN  16  71.428  -7.386   6.622
   96   HE22  GLN  16          HE22      GLN  16  71.117  -7.520   4.959
   97    H    SER  17           HN       SER  17  67.981  -8.269   9.008
   98    HA   SER  17           HA       SER  17  65.989  -8.891  10.020
   99    HB2  SER  17           HB2      SER  17  66.434  -6.646  11.387
  100    HB3  SER  17           HB1      SER  17  65.083  -6.075  10.413
  101    HG   SER  17           HG       SER  17  64.051  -8.128  11.114
  102    H    GLU  18           HN       GLU  18  66.251  -8.861   7.364
  103    HA   GLU  18           HA       GLU  18  63.628  -7.878   6.424
  104    HB2  GLU  18           HB2      GLU  18  65.339  -6.415   5.500
  105    HB3  GLU  18           HB1      GLU  18  66.261  -7.808   4.932
  106    HG2  GLU  18           HG2      GLU  18  64.943  -8.076   3.110
  107    HG3  GLU  18           HG1      GLU  18  63.465  -7.835   4.041
  108    H    CYS  19           HN       CYS  19  63.532 -10.304   7.330
  109    HA   CYS  19           HA       CYS  19  62.900 -12.435   6.723
  110    HB2  CYS  19           HB2      CYS  19  62.058 -12.698   4.640
  111    HB3  CYS  19           HB1      CYS  19  62.420 -10.982   4.451
  112    HG   CYS  19           HG       CYS  19  63.951 -11.704   2.644
  113    H    GLU  20           HN       GLU  20  65.905 -11.083   6.301
  114    HA   GLU  20           HA       GLU  20  67.251 -13.448   5.280
  115    HB2  GLU  20           HB2      GLU  20  68.290 -10.816   6.354
  116    HB3  GLU  20           HB1      GLU  20  69.318 -12.104   5.726
  117    HG2  GLU  20           HG2      GLU  20  67.165 -11.559   3.876
  118    HG3  GLU  20           HG1      GLU  20  68.040 -10.073   4.243
  119    H    TYR  21           HN       TYR  21  65.858 -14.257   7.435
  120    HA   TYR  21           HA       TYR  21  67.969 -15.059   9.261
  121    HB2  TYR  21           HB2      TYR  21  66.861 -12.827  10.068
  122    HB3  TYR  21           HB1      TYR  21  65.524 -13.878  10.535
  123    HD1  TYR  21           HD2      TYR  21  69.231 -13.498  10.870
  124    HD2  TYR  21           HD1      TYR  21  65.612 -15.095  12.546
  125    HE1  TYR  21           HE2      TYR  21  70.474 -14.183  12.904
  126    HE2  TYR  21           HE1      TYR  21  66.855 -15.779  14.579
  127    HH   TYR  21           HH       TYR  21  68.908 -16.058  15.470
  128    H    THR  22           HN       THR  22  66.835 -16.740   7.574
  129    HA   THR  22           HA       THR  22  65.822 -18.806   7.511
  130    HB   THR  22           HB       THR  22  64.851 -18.545  10.325
  131    HG1  THR  22           HG1      THR  22  67.388 -19.441  10.188
  132   HG21  THR  22          HG21      THR  22  64.498 -20.597   8.952
  133   HG22  THR  22          HG22      THR  22  65.481 -20.899  10.385
  134   HG23  THR  22          HG23      THR  22  66.247 -20.762   8.803
  135    H    ASP  23           HN       ASP  23  64.428 -16.674   6.516
  136    HA   ASP  23           HA       ASP  23  61.703 -17.598   6.791
  137    HB2  ASP  23           HB2      ASP  23  62.530 -14.863   7.762
  138    HB3  ASP  23           HB1      ASP  23  60.876 -15.234   7.274
  139    H    TRP  24           HN       TRP  24  63.966 -17.082   4.807
  140    HA   TRP  24           HA       TRP  24  62.582 -15.263   2.952
  141    HB2  TRP  24           HB2      TRP  24  64.653 -15.184   1.714
  142    HB3  TRP  24           HB1      TRP  24  65.019 -14.912   3.418
  143    HD1  TRP  24           HD1      TRP  24  65.799 -17.199   4.809
  144    HE1  TRP  24           HE1      TRP  24  67.329 -19.110   4.001
  145    HE3  TRP  24           HE3      TRP  24  65.483 -16.507  -0.241
  146    HZ2  TRP  24           HZ2      TRP  24  68.292 -20.200   1.539
  147    HZ3  TRP  24           HZ3      TRP  24  66.716 -17.994  -1.793
  148    HH2  TRP  24           HH2      TRP  24  68.118 -19.838  -0.910
  149    H    LYS  25           HN       LYS  25  63.176 -18.577   3.578
  150    HA   LYS  25           HA       LYS  25  62.505 -19.345   0.818
  151    HB2  LYS  25           HB2      LYS  25  62.972 -21.704   1.897
  152    HB3  LYS  25           HB1      LYS  25  64.312 -20.655   1.433
  153    HG2  LYS  25           HG2      LYS  25  64.596 -21.599   3.721
  154    HG3  LYS  25           HG1      LYS  25  64.513 -19.837   3.729
  155    HD2  LYS  25           HD2      LYS  25  62.279 -19.838   4.535
  156    HD3  LYS  25           HD1      LYS  25  62.054 -21.543   4.143
  157    HE2  LYS  25           HE2      LYS  25  62.424 -21.078   6.600
  158    HE3  LYS  25           HE1      LYS  25  63.566 -22.221   5.893
  159    HZ1  LYS  25           HZ1      LYS  25  64.118 -19.799   7.169
  160    HZ2  LYS  25           HZ2      LYS  25  64.559 -19.626   5.538
  161    HZ3  LYS  25           HZ3      LYS  25  65.215 -20.887   6.469
  162    H    SER  26           HN       SER  26  60.715 -18.315   3.138
  163    HA   SER  26           HA       SER  26  58.454 -19.955   2.477
  164    HB2  SER  26           HB2      SER  26  59.411 -21.439   4.138
  165    HB3  SER  26           HB1      SER  26  59.596 -20.107   5.276
  166    HG   SER  26           HG       SER  26  57.222 -19.873   4.974
  167    H    SER  27           HN       SER  27  59.103 -18.295   5.537
  168    HA   SER  27           HA       SER  27  56.768 -16.657   5.258
  169    HB2  SER  27           HB2      SER  27  57.396 -17.286   7.473
  170    HB3  SER  27           HB1      SER  27  59.039 -16.694   7.249
  171    HG   SER  27           HG       SER  27  56.643 -15.285   7.629
  172    H    GLY  28           HN       GLY  28  58.558 -16.298   3.076
  173    HA2  GLY  28           HA2      GLY  28  59.002 -13.405   3.316
  174    HA3  GLY  28           HA1      GLY  28  60.359 -14.408   2.812
  175    H    ALA  29           HN       ALA  29  57.132 -15.307   1.906
  176    HA   ALA  29           HA       ALA  29  57.323 -14.035  -0.715
  177    HB1  ALA  29           HB1      ALA  29  58.159 -15.843  -1.745
  178    HB2  ALA  29           HB2      ALA  29  56.675 -16.699  -1.327
  179    HB3  ALA  29           HB3      ALA  29  58.075 -16.790  -0.259
  180    H    LEU  30           HN       LEU  30  55.580 -14.939   1.911
  181    HA   LEU  30           HA       LEU  30  53.042 -14.742   0.421
  182    HB2  LEU  30           HB2      LEU  30  53.558 -16.630   2.732
  183    HB3  LEU  30           HB1      LEU  30  52.029 -16.422   1.876
  184    HG   LEU  30           HG       LEU  30  53.681 -16.914  -0.219
  185   HD11  LEU  30          HD11      LEU  30  54.684 -18.799   1.912
  186   HD12  LEU  30          HD12      LEU  30  55.519 -17.282   1.576
  187   HD13  LEU  30          HD13      LEU  30  55.352 -18.497   0.308
  188   HD21  LEU  30          HD21      LEU  30  51.659 -18.128   0.008
  189   HD22  LEU  30          HD22      LEU  30  52.129 -18.779   1.579
  190   HD23  LEU  30          HD23      LEU  30  52.912 -19.365   0.111
  191    H    ILE  31           HN       ILE  31  55.021 -13.851   3.063
  192    HA   ILE  31           HA       ILE  31  52.966 -12.881   4.797
  193    HB   ILE  31           HB       ILE  31  55.929 -12.783   4.710
  194   HG12  ILE  31          HG12      ILE  31  55.632 -13.472   7.035
  195   HG13  ILE  31          HG11      ILE  31  53.902 -13.140   6.935
  196   HG21  ILE  31          HG21      ILE  31  55.864 -11.104   6.631
  197   HG22  ILE  31          HG22      ILE  31  54.234 -10.694   6.103
  198   HG23  ILE  31          HG23      ILE  31  55.607 -10.429   5.024
  199   HD11  ILE  31          HD11      ILE  31  54.879 -15.598   6.544
  200   HD12  ILE  31          HD12      ILE  31  55.070 -14.986   4.901
  201   HD13  ILE  31          HD13      ILE  31  53.475 -15.008   5.653
  202    HA   PRO  32           HA       PRO  32  53.788  -8.704   2.720
  203    HB2  PRO  32           HB2      PRO  32  55.175  -8.579   0.398
  204    HB3  PRO  32           HB1      PRO  32  55.977  -8.628   1.980
  205    HG2  PRO  32           HG2      PRO  32  55.729 -10.728  -0.071
  206    HG3  PRO  32           HG1      PRO  32  56.975 -10.489   1.162
  207    HD2  PRO  32           HD2      PRO  32  54.782 -12.311   1.264
  208    HD3  PRO  32           HD1      PRO  32  55.947 -11.960   2.557
  209    H    ALA  33           HN       ALA  33  52.013 -11.038   1.872
  210    HA   ALA  33           HA       ALA  33  50.772  -9.694  -0.450
  211    HB1  ALA  33           HB1      ALA  33  50.818 -11.564  -1.695
  212    HB2  ALA  33           HB2      ALA  33  50.249 -12.555  -0.351
  213    HB3  ALA  33           HB3      ALA  33  51.970 -12.207  -0.524
  214    H    ILE  34           HN       ILE  34  50.243 -12.060   2.166
  215    HA   ILE  34           HA       ILE  34  47.403 -11.300   2.230
  216    HB   ILE  34           HB       ILE  34  47.261 -13.264   3.841
  217   HG12  ILE  34          HG12      ILE  34  49.708 -14.458   2.798
  218   HG13  ILE  34          HG11      ILE  34  50.047 -13.023   3.765
  219   HG21  ILE  34          HG21      ILE  34  46.567 -13.518   1.535
  220   HG22  ILE  34          HG22      ILE  34  47.518 -14.937   1.976
  221   HG23  ILE  34          HG23      ILE  34  48.241 -13.659   0.999
  222   HD11  ILE  34          HD11      ILE  34  48.783 -13.917   5.635
  223   HD12  ILE  34          HD12      ILE  34  49.955 -15.131   5.121
  224   HD13  ILE  34          HD13      ILE  34  48.259 -15.296   4.670
  225    H    TYR  35           HN       TYR  35  50.351 -11.218   4.127
  226    HA   TYR  35           HA       TYR  35  49.028 -10.306   6.533
  227    HB2  TYR  35           HB2      TYR  35  51.461 -11.488   6.008
  228    HB3  TYR  35           HB1      TYR  35  51.909  -9.813   6.331
  229    HD1  TYR  35           HD2      TYR  35  49.784 -12.587   7.679
  230    HD2  TYR  35           HD1      TYR  35  52.067  -9.052   8.544
  231    HE1  TYR  35           HE2      TYR  35  49.449 -12.964  10.107
  232    HE2  TYR  35           HE1      TYR  35  51.733  -9.430  10.973
  233    HH   TYR  35           HH       TYR  35  51.079 -10.968  12.519
  234    H    MET  36           HN       MET  36  48.637  -8.761   4.056
  235    HA   MET  36           HA       MET  36  49.526  -6.149   5.094
  236    HB2  MET  36           HB2      MET  36  49.544  -6.833   2.152
  237    HB3  MET  36           HB1      MET  36  50.184  -5.385   2.930
  238    HG2  MET  36           HG2      MET  36  51.632  -7.156   4.276
  239    HG3  MET  36           HG1      MET  36  51.316  -8.155   2.858
  240    HE1  MET  36           HE1      MET  36  52.944  -5.215   4.455
  241    HE2  MET  36           HE2      MET  36  54.351  -4.969   3.423
  242    HE3  MET  36           HE3      MET  36  54.099  -6.531   4.199
  243    H    LEU  37           HN       LEU  37  47.511  -7.683   2.574
  244    HA   LEU  37           HA       LEU  37  45.660  -5.547   2.385
  245    HB2  LEU  37           HB2      LEU  37  45.043  -8.442   1.790
  246    HB3  LEU  37           HB1      LEU  37  44.354  -7.003   1.035
  247    HG   LEU  37           HG       LEU  37  47.218  -7.968   0.803
  248   HD11  LEU  37          HD11      LEU  37  45.785  -9.234  -0.642
  249   HD12  LEU  37          HD12      LEU  37  46.548  -8.010  -1.655
  250   HD13  LEU  37          HD13      LEU  37  44.883  -7.795  -1.116
  251   HD21  LEU  37          HD21      LEU  37  47.415  -5.624   0.792
  252   HD22  LEU  37          HD22      LEU  37  45.849  -5.403   0.011
  253   HD23  LEU  37          HD23      LEU  37  47.221  -6.004  -0.919
  254    H    VAL  38           HN       VAL  38  46.285  -7.359   5.004
  255    HA   VAL  38           HA       VAL  38  43.549  -7.015   6.042
  256    HB   VAL  38           HB       VAL  38  45.189  -9.435   6.762
  257   HG11  VAL  38          HG11      VAL  38  42.225  -8.788   6.835
  258   HG12  VAL  38          HG12      VAL  38  43.311  -8.807   8.225
  259   HG13  VAL  38          HG13      VAL  38  42.952 -10.304   7.366
  260   HG21  VAL  38          HG21      VAL  38  43.736 -10.662   5.101
  261   HG22  VAL  38          HG22      VAL  38  44.916  -9.582   4.359
  262   HG23  VAL  38          HG23      VAL  38  43.225  -9.095   4.475
  263    H    PHE  39           HN       PHE  39  46.978  -6.996   6.490
  264    HA   PHE  39           HA       PHE  39  46.793  -6.515   9.361
  265    HB2  PHE  39           HB2      PHE  39  48.653  -7.860   8.264
  266    HB3  PHE  39           HB1      PHE  39  49.260  -6.330   7.630
  267    HD1  PHE  39           HD1      PHE  39  48.280  -8.037  10.809
  268    HD2  PHE  39           HD2      PHE  39  50.594  -4.922   8.967
  269    HE1  PHE  39           HE1      PHE  39  49.383  -7.572  12.982
  270    HE2  PHE  39           HE2      PHE  39  51.697  -4.457  11.139
  271    HZ   PHE  39           HZ       PHE  39  51.091  -5.782  13.146
  272    H    LEU  40           HN       LEU  40  45.452  -4.625   7.697
  273    HA   LEU  40           HA       LEU  40  46.975  -2.206   8.413
  274    HB2  LEU  40           HB2      LEU  40  46.230  -3.084   5.738
  275    HB3  LEU  40           HB1      LEU  40  45.565  -1.495   6.121
  276    HG   LEU  40           HG       LEU  40  48.464  -2.226   6.603
  277   HD11  LEU  40          HD11      LEU  40  47.063  -1.586   4.121
  278   HD12  LEU  40          HD12      LEU  40  48.713  -2.159   4.359
  279   HD13  LEU  40          HD13      LEU  40  48.353  -0.437   4.474
  280   HD21  LEU  40          HD21      LEU  40  48.632  -0.141   7.459
  281   HD22  LEU  40          HD22      LEU  40  46.870  -0.076   7.446
  282   HD23  LEU  40          HD23      LEU  40  47.786   0.558   6.079
  283    H    LEU  41           HN       LEU  41  44.130  -3.984   8.509
  284    HA   LEU  41           HA       LEU  41  42.509  -1.594   9.153
  285    HB2  LEU  41           HB2      LEU  41  41.447  -4.347   8.522
  286    HB3  LEU  41           HB1      LEU  41  40.566  -2.818   8.544
  287    HG   LEU  41           HG       LEU  41  42.770  -3.572   6.600
  288   HD11  LEU  41          HD11      LEU  41  40.994  -3.591   4.934
  289   HD12  LEU  41          HD12      LEU  41  39.810  -3.094   6.141
  290   HD13  LEU  41          HD13      LEU  41  40.556  -4.688   6.243
  291   HD21  LEU  41          HD21      LEU  41  41.712  -1.378   5.529
  292   HD22  LEU  41          HD22      LEU  41  42.992  -1.266   6.736
  293   HD23  LEU  41          HD23      LEU  41  41.310  -1.027   7.211
  294    H    GLY  42           HN       GLY  42  43.325  -4.890  10.170
  295    HA2  GLY  42           HA2      GLY  42  41.811  -4.828  12.586
  296    HA3  GLY  42           HA1      GLY  42  43.092  -5.970  12.194
  297    H    THR  43           HN       THR  43  44.471  -3.070  11.694
  298    HA   THR  43           HA       THR  43  45.197  -2.601  14.509
  299    HB   THR  43           HB       THR  43  47.021  -3.928  13.898
  300    HG1  THR  43           HG1      THR  43  48.279  -1.750  12.874
  301   HG21  THR  43          HG21      THR  43  46.503  -2.785  11.191
  302   HG22  THR  43          HG22      THR  43  46.823  -4.454  11.663
  303   HG23  THR  43          HG23      THR  43  48.149  -3.296  11.562
  304    H    THR  44           HN       THR  44  47.112  -1.250  12.003
  305    HA   THR  44           HA       THR  44  47.571   1.005  11.651
  306    HB   THR  44           HB       THR  44  46.188   0.398   9.763
  307    HG1  THR  44           HG1      THR  44  46.649   2.566   9.883
  308   HG21  THR  44          HG21      THR  44  43.700   0.848   9.896
  309   HG22  THR  44          HG22      THR  44  43.889   0.981  11.643
  310   HG23  THR  44          HG23      THR  44  44.252  -0.541  10.830
  311    H    GLY  45           HN       GLY  45  46.827   0.617  14.363
  312    HA2  GLY  45           HA2      GLY  45  46.701   2.919  15.578
  313    HA3  GLY  45           HA1      GLY  45  45.051   2.883  14.963
  314    H    ASN  46           HN       ASN  46  43.967   0.619  15.411
  315    HA   ASN  46           HA       ASN  46  43.872   0.349  18.273
  316    HB2  ASN  46           HB2      ASN  46  42.119  -1.312  17.828
  317    HB3  ASN  46           HB1      ASN  46  41.843   0.158  16.896
  318   HD21  ASN  46          HD21      ASN  46  42.393  -3.262  16.662
  319   HD22  ASN  46          HD22      ASN  46  42.456  -3.343  14.967
  320    H    GLY  47           HN       GLY  47  46.196  -0.623  16.345
  321    HA2  GLY  47           HA2      GLY  47  46.423  -3.369  17.394
  322    HA3  GLY  47           HA1      GLY  47  47.342  -2.708  16.045
  323    H    LEU  48           HN       LEU  48  47.194  -0.384  18.405
  324    HA   LEU  48           HA       LEU  48  49.482  -1.360  19.946
  325    HB2  LEU  48           HB2      LEU  48  50.688   0.824  19.483
  326    HB3  LEU  48           HB1      LEU  48  50.635  -0.312  18.135
  327    HG   LEU  48           HG       LEU  48  48.345   1.552  18.285
  328   HD11  LEU  48          HD11      LEU  48  50.035   3.138  18.932
  329   HD12  LEU  48          HD12      LEU  48  49.746   3.373  17.208
  330   HD13  LEU  48          HD13      LEU  48  51.174   2.492  17.751
  331   HD21  LEU  48          HD21      LEU  48  50.263   0.814  16.051
  332   HD22  LEU  48          HD22      LEU  48  48.685   1.583  15.872
  333   HD23  LEU  48          HD23      LEU  48  48.795  -0.084  16.438
  334    H    VAL  49           HN       VAL  49  46.537  -0.101  19.977
  335    HA   VAL  49           HA       VAL  49  47.001   1.929  22.045
  336    HB   VAL  49           HB       VAL  49  44.482   1.048  20.615
  337   HG11  VAL  49          HG11      VAL  49  44.998   2.974  22.869
  338   HG12  VAL  49          HG12      VAL  49  43.694   1.800  22.690
  339   HG13  VAL  49          HG13      VAL  49  43.687   3.281  21.730
  340   HG21  VAL  49          HG21      VAL  49  46.504   2.566  19.632
  341   HG22  VAL  49          HG22      VAL  49  45.561   3.812  20.451
  342   HG23  VAL  49          HG23      VAL  49  44.813   2.819  19.199
  343    H    LEU  50           HN       LEU  50  44.983  -0.985  21.584
  344    HA   LEU  50           HA       LEU  50  44.823  -1.268  24.510
  345    HB2  LEU  50           HB2      LEU  50  43.023  -2.921  23.994
  346    HB3  LEU  50           HB1      LEU  50  42.676  -1.302  23.386
  347    HG   LEU  50           HG       LEU  50  44.176  -2.778  21.414
  348   HD11  LEU  50          HD11      LEU  50  42.448  -4.491  20.909
  349   HD12  LEU  50          HD12      LEU  50  41.613  -4.065  22.402
  350   HD13  LEU  50          HD13      LEU  50  43.224  -4.779  22.466
  351   HD21  LEU  50          HD21      LEU  50  41.330  -1.723  21.493
  352   HD22  LEU  50          HD22      LEU  50  42.200  -2.199  20.034
  353   HD23  LEU  50          HD23      LEU  50  42.751  -0.815  20.976
  354    H    TRP  51           HN       TRP  51  46.199  -2.678  21.667
  355    HA   TRP  51           HA       TRP  51  46.705  -5.271  22.816
  356    HB2  TRP  51           HB2      TRP  51  46.686  -5.462  20.529
  357    HB3  TRP  51           HB1      TRP  51  47.391  -3.864  20.282
  358    HD1  TRP  51           HD1      TRP  51  49.982  -3.662  20.171
  359    HE1  TRP  51           HE1      TRP  51  51.899  -5.385  20.129
  360    HE3  TRP  51           HE3      TRP  51  47.410  -7.879  21.471
  361    HZ2  TRP  51           HZ2      TRP  51  52.290  -8.181  20.586
  362    HZ3  TRP  51           HZ3      TRP  51  48.578 -10.055  21.661
  363    HH2  TRP  51           HH2      TRP  51  51.014 -10.212  21.220
  364    H    THR  52           HN       THR  52  48.113  -2.198  23.121
  365    HA   THR  52           HA       THR  52  50.844  -2.843  23.421
  366    HB   THR  52           HB       THR  52  49.962  -0.528  23.193
  367    HG1  THR  52           HG1      THR  52  51.208  -0.418  25.640
  368   HG21  THR  52          HG21      THR  52  48.062  -1.079  24.891
  369   HG22  THR  52          HG22      THR  52  48.766   0.538  24.904
  370   HG23  THR  52          HG23      THR  52  49.257  -0.647  26.115
  371    H    VAL  53           HN       VAL  53  48.112  -3.441  25.422
  372    HA   VAL  53           HA       VAL  53  49.588  -3.692  27.894
  373    HB   VAL  53           HB       VAL  53  46.836  -4.780  27.295
  374   HG11  VAL  53          HG11      VAL  53  46.542  -4.332  29.730
  375   HG12  VAL  53          HG12      VAL  53  48.229  -3.828  29.816
  376   HG13  VAL  53          HG13      VAL  53  47.827  -5.497  29.414
  377   HG21  VAL  53          HG21      VAL  53  47.815  -1.996  27.533
  378   HG22  VAL  53          HG22      VAL  53  46.421  -2.384  28.542
  379   HG23  VAL  53          HG23      VAL  53  46.335  -2.609  26.794
  380    H    PHE  54           HN       PHE  54  48.597  -5.774  25.267
  381    HA   PHE  54           HA       PHE  54  49.322  -8.199  26.718
  382    HB2  PHE  54           HB2      PHE  54  47.717  -7.557  24.418
  383    HB3  PHE  54           HB1      PHE  54  48.926  -8.764  23.978
  384    HD1  PHE  54           HD1      PHE  54  46.326  -7.967  26.541
  385    HD2  PHE  54           HD2      PHE  54  48.682 -11.015  24.641
  386    HE1  PHE  54           HE1      PHE  54  45.015  -9.713  27.717
  387    HE2  PHE  54           HE2      PHE  54  47.371 -12.761  25.817
  388    HZ   PHE  54           HZ       PHE  54  45.537 -12.110  27.355
  389    H    ARG  55           HN       ARG  55  51.001  -5.816  25.197
  390    HA   ARG  55           HA       ARG  55  53.005  -7.625  24.019
  391    HB2  ARG  55           HB2      ARG  55  52.109  -5.621  22.731
  392    HB3  ARG  55           HB1      ARG  55  52.974  -4.607  23.887
  393    HG2  ARG  55           HG2      ARG  55  55.046  -6.020  23.322
  394    HG3  ARG  55           HG1      ARG  55  54.122  -6.612  21.942
  395    HD2  ARG  55           HD2      ARG  55  53.815  -4.322  21.132
  396    HD3  ARG  55           HD1      ARG  55  54.664  -3.690  22.539
  397    HE   ARG  55           HE       ARG  55  56.203  -5.589  20.982
  398   HH11  ARG  55          HH21      ARG  55  55.255  -2.295  21.452
  399   HH12  ARG  55          HH22      ARG  55  56.654  -1.636  20.672
  400   HH21  ARG  55          HH11      ARG  55  58.041  -4.733  19.957
  401   HH22  ARG  55          HH12      ARG  55  58.231  -3.016  19.825
  402    H    LYS  56           HN       LYS  56  52.760  -4.854  26.248
  403    HA   LYS  56           HA       LYS  56  55.387  -4.709  27.104
  404    HB2  LYS  56           HB2      LYS  56  52.795  -4.223  28.571
  405    HB3  LYS  56           HB1      LYS  56  54.367  -3.912  29.308
  406    HG2  LYS  56           HG2      LYS  56  54.941  -2.415  27.414
  407    HG3  LYS  56           HG1      LYS  56  53.339  -2.692  26.728
  408    HD2  LYS  56           HD2      LYS  56  52.570  -1.954  29.175
  409    HD3  LYS  56           HD1      LYS  56  54.121  -1.116  29.142
  410    HE2  LYS  56           HE2      LYS  56  53.345  -0.284  26.791
  411    HE3  LYS  56           HE1      LYS  56  51.734  -0.735  27.348
  412    HZ1  LYS  56           HZ1      LYS  56  52.480   0.608  29.445
  413    HZ2  LYS  56           HZ2      LYS  56  51.851   1.404  28.083
  414    HZ3  LYS  56           HZ3      LYS  56  53.529   1.357  28.342
  415    H    LYS  57           HN       LYS  57  53.111  -7.224  27.607
  416    HA   LYS  57           HA       LYS  57  53.891  -8.329  30.038
  417    HB2  LYS  57           HB2      LYS  57  53.071  -9.765  27.500
  418    HB3  LYS  57           HB1      LYS  57  53.108 -10.484  29.111
  419    HG2  LYS  57           HG2      LYS  57  51.595  -7.931  28.769
  420    HG3  LYS  57           HG1      LYS  57  50.874  -9.405  28.120
  421    HD2  LYS  57           HD2      LYS  57  51.065 -10.494  30.305
  422    HD3  LYS  57           HD1      LYS  57  51.860  -9.067  30.967
  423    HE2  LYS  57           HE2      LYS  57  49.450  -8.197  29.723
  424    HE3  LYS  57           HE1      LYS  57  49.052  -9.584  30.738
  425    HZ1  LYS  57           HZ1      LYS  57  50.338  -8.479  32.539
  426    HZ2  LYS  57           HZ2      LYS  57  48.930  -7.648  32.077
  427    HZ3  LYS  57           HZ3      LYS  57  50.452  -7.101  31.557
  428    H    GLY  58           HN       GLY  58  55.385  -8.598  26.847
  429    HA2  GLY  58           HA2      GLY  58  57.987  -8.953  27.721
  430    HA3  GLY  58           HA1      GLY  58  57.312 -10.573  27.576
  431    H    HIS  59           HN       HIS  59  57.364  -7.527  25.709
  432    HA   HIS  59           HA       HIS  59  57.645  -7.119  23.468
  433    HB2  HIS  59           HB2      HIS  59  59.213  -9.707  23.552
  434    HB3  HIS  59           HB1      HIS  59  59.319  -8.461  22.309
  435    HD2  HIS  59           HD2      HIS  59  59.578  -5.804  24.233
  436    HE1  HIS  59           HE1      HIS  59  62.843  -7.823  25.990
  437    HE2  HIS  59           HE2      HIS  59  61.720  -5.563  25.706
  438    H    HIS  60           HN       HIS  60  57.703 -10.653  23.227
  439    HA   HIS  60           HA       HIS  60  55.412 -10.501  21.391
  440    HB2  HIS  60           HB2      HIS  60  57.762 -12.253  21.672
  441    HB3  HIS  60           HB1      HIS  60  56.260 -13.096  21.296
  442    HD2  HIS  60           HD2      HIS  60  58.471 -10.211  19.701
  443    HE1  HIS  60           HE1      HIS  60  55.909 -11.772  16.731
  444    HE2  HIS  60           HE2      HIS  60  57.818 -10.158  17.173
  445    H    HIS  61           HN       HIS  61  56.488 -13.088  23.579
  446    HA   HIS  61           HA       HIS  61  54.122 -12.915  25.217
  447    HB2  HIS  61           HB2      HIS  61  53.691 -15.470  24.474
  448    HB3  HIS  61           HB1      HIS  61  52.859 -14.102  23.734
  449    HD2  HIS  61           HD2      HIS  61  53.093 -14.221  20.995
  450    HE1  HIS  61           HE1      HIS  61  56.827 -16.176  20.774
  451    HE2  HIS  61           HE2      HIS  61  54.923 -15.197  19.409
  452    H    HIS  62           HN       HIS  62  55.348 -13.006  27.040
  453    HA   HIS  62           HA       HIS  62  56.639 -15.573  27.620
  454    HB2  HIS  62           HB2      HIS  62  58.007 -12.894  27.631
  455    HB3  HIS  62           HB1      HIS  62  58.546 -14.189  28.701
  456    HD2  HIS  62           HD2      HIS  62  58.482 -16.760  26.752
  457    HE1  HIS  62           HE1      HIS  62  60.652 -14.419  23.988
  458    HE2  HIS  62           HE2      HIS  62  59.981 -16.787  24.614
  459    H    HIS  63           HN       HIS  63  55.569 -16.238  29.368
  460    HA   HIS  63           HA       HIS  63  54.678 -14.265  31.357
  461    HB2  HIS  63           HB2      HIS  63  53.937 -17.147  30.843
  462    HB3  HIS  63           HB1      HIS  63  53.415 -16.269  32.281
  463    HD2  HIS  63           HD2      HIS  63  52.396 -16.635  28.584
  464    HE1  HIS  63           HE1      HIS  63  50.262 -13.321  30.097
  465    HE2  HIS  63           HE2      HIS  63  50.479 -14.920  28.136
  466    H    HIS  64           HN       HIS  64  57.028 -14.048  31.957
  467    HA   HIS  64           HA       HIS  64  58.376 -16.205  33.250
  468    HB2  HIS  64           HB2      HIS  64  59.895 -14.606  32.614
  469    HB3  HIS  64           HB1      HIS  64  58.797 -13.270  32.959
  470    HD2  HIS  64           HD2      HIS  64  59.375 -12.012  35.348
  471    HE1  HIS  64           HE1      HIS  64  61.585 -15.127  37.147
  472    HE2  HIS  64           HE2      HIS  64  60.778 -12.735  37.428
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1 109.463 -11.044  -3.814
    2    H2   MET   1           HT2      MET   1 110.630 -10.934  -2.585
    3    H3   MET   1           HT3      MET   1 109.044 -10.391  -2.307
    4    HA   MET   1           HA       MET   1 110.108 -13.113  -2.349
    5    HB2  MET   1           HB2      MET   1 107.932 -11.669  -0.805
    6    HB3  MET   1           HB1      MET   1 108.422 -13.339  -0.527
    7    HG2  MET   1           HG2      MET   1 110.441 -11.101  -0.464
    8    HG3  MET   1           HG1      MET   1 109.490 -11.507   0.964
    9    HE1  MET   1           HE1      MET   1 110.695 -13.106   2.758
   10    HE2  MET   1           HE2      MET   1 110.536 -14.768   2.195
   11    HE3  MET   1           HE3      MET   1 109.218 -13.629   1.936
   12    H    GLU   2           HN       GLU   2 108.278 -14.808  -2.292
   13    HA   GLU   2           HA       GLU   2 106.153 -14.187  -4.231
   14    HB2  GLU   2           HB2      GLU   2 108.007 -15.165  -5.517
   15    HB3  GLU   2           HB1      GLU   2 108.026 -16.557  -4.435
   16    HG2  GLU   2           HG2      GLU   2 106.297 -17.520  -5.512
   17    HG3  GLU   2           HG1      GLU   2 105.347 -16.036  -5.438
   18    H    GLU   3           HN       GLU   3 105.150 -14.219  -1.965
   19    HA   GLU   3           HA       GLU   3 104.855 -16.544  -0.451
   20    HB2  GLU   3           HB2      GLU   3 103.253 -14.056  -0.827
   21    HB3  GLU   3           HB1      GLU   3 102.485 -15.415  -0.004
   22    HG2  GLU   3           HG2      GLU   3 103.668 -13.852   1.559
   23    HG3  GLU   3           HG1      GLU   3 104.272 -15.507   1.633
   24    H    GLY   4           HN       GLY   4 101.959 -15.375  -2.039
   25    HA2  GLY   4           HA2      GLY   4 101.532 -17.192  -4.050
   26    HA3  GLY   4           HA1      GLY   4 101.068 -18.050  -2.585
   27    H    GLY   5           HN       GLY   5  99.643 -16.693  -5.017
   28    HA2  GLY   5           HA2      GLY   5  97.250 -16.029  -3.596
   29    HA3  GLY   5           HA1      GLY   5  98.034 -14.591  -4.245
   30    H    ASP   6           HN       ASP   6  96.769 -17.779  -5.152
   31    HA   ASP   6           HA       ASP   6  95.912 -16.633  -7.723
   32    HB2  ASP   6           HB2      ASP   6  97.485 -19.189  -7.367
   33    HB3  ASP   6           HB1      ASP   6  96.617 -18.772  -8.844
   34    H    PHE   7           HN       PHE   7  94.516 -17.292  -5.235
   35    HA   PHE   7           HA       PHE   7  92.350 -18.803  -6.389
   36    HB2  PHE   7           HB2      PHE   7  94.066 -19.991  -4.217
   37    HB3  PHE   7           HB1      PHE   7  92.371 -20.444  -4.401
   38    HD1  PHE   7           HD1      PHE   7  91.600 -21.191  -6.766
   39    HD2  PHE   7           HD2      PHE   7  95.712 -21.025  -5.537
   40    HE1  PHE   7           HE1      PHE   7  92.211 -22.739  -8.605
   41    HE2  PHE   7           HE2      PHE   7  96.324 -22.573  -7.376
   42    HZ   PHE   7           HZ       PHE   7  94.574 -23.429  -8.910
   43    H    ASP   8           HN       ASP   8  92.113 -16.294  -5.709
   44    HA   ASP   8           HA       ASP   8  90.551 -16.368  -3.216
   45    HB2  ASP   8           HB2      ASP   8  92.951 -15.275  -3.066
   46    HB3  ASP   8           HB1      ASP   8  92.139 -13.911  -3.833
   47    H    ASN   9           HN       ASN   9  89.570 -16.588  -5.830
   48    HA   ASN   9           HA       ASN   9  88.471 -13.921  -6.429
   49    HB2  ASN   9           HB2      ASN   9  88.510 -16.481  -8.041
   50    HB3  ASN   9           HB1      ASN   9  87.710 -14.995  -8.553
   51   HD21  ASN   9          HD21      ASN   9  90.677 -16.672  -8.648
   52   HD22  ASN   9          HD22      ASN   9  91.662 -15.378  -9.134
   53    H    TYR  10           HN       TYR  10  87.154 -17.208  -6.795
   54    HA   TYR  10           HA       TYR  10  84.570 -16.237  -5.812
   55    HB2  TYR  10           HB2      TYR  10  85.260 -18.954  -6.953
   56    HB3  TYR  10           HB1      TYR  10  83.649 -18.272  -6.723
   57    HD1  TYR  10           HD1      TYR  10  82.875 -16.368  -8.113
   58    HD2  TYR  10           HD2      TYR  10  86.655 -18.287  -8.807
   59    HE1  TYR  10           HE1      TYR  10  83.004 -15.306 -10.350
   60    HE2  TYR  10           HE2      TYR  10  86.784 -17.225 -11.044
   61    HH   TYR  10           HH       TYR  10  85.216 -14.685 -11.965
   62    H    TYR  11           HN       TYR  11  87.283 -17.431  -4.443
   63    HA   TYR  11           HA       TYR  11  87.778 -18.610  -2.526
   64    HB2  TYR  11           HB2      TYR  11  85.120 -17.958  -1.369
   65    HB3  TYR  11           HB1      TYR  11  86.732 -17.732  -0.691
   66    HD1  TYR  11           HD2      TYR  11  88.109 -15.786  -1.323
   67    HD2  TYR  11           HD1      TYR  11  84.106 -16.281  -2.798
   68    HE1  TYR  11           HE2      TYR  11  88.079 -13.411  -2.039
   69    HE2  TYR  11           HE1      TYR  11  84.075 -13.907  -3.514
   70    HH   TYR  11           HH       TYR  11  86.582 -11.680  -2.595
   71    H    GLY  12           HN       GLY  12  86.698 -20.224  -4.550
   72    HA2  GLY  12           HA2      GLY  12  85.548 -22.201  -4.943
   73    HA3  GLY  12           HA1      GLY  12  86.247 -22.632  -3.385
   74    H    ALA  13           HN       ALA  13  83.911 -20.048  -3.782
   75    HA   ALA  13           HA       ALA  13  81.565 -21.529  -3.225
   76    HB1  ALA  13           HB1      ALA  13  82.493 -21.973  -1.056
   77    HB2  ALA  13           HB2      ALA  13  81.254 -20.736  -0.852
   78    HB3  ALA  13           HB3      ALA  13  82.958 -20.285  -0.848
   79    H    ASP  14           HN       ASP  14  81.204 -19.959  -4.997
   80    HA   ASP  14           HA       ASP  14  80.755 -17.202  -4.065
   81    HB2  ASP  14           HB2      ASP  14  81.852 -16.916  -6.046
   82    HB3  ASP  14           HB1      ASP  14  81.309 -18.463  -6.692
   83    H    ASN  15           HN       ASN  15  79.127 -19.949  -5.597
   84    HA   ASN  15           HA       ASN  15  76.577 -18.607  -5.724
   85    HB2  ASN  15           HB2      ASN  15  77.524 -21.412  -6.251
   86    HB3  ASN  15           HB1      ASN  15  75.803 -21.032  -6.204
   87   HD21  ASN  15          HD21      ASN  15  78.631 -19.220  -7.535
   88   HD22  ASN  15          HD22      ASN  15  77.964 -19.046  -9.087
   89    H    GLN  16           HN       GLN  16  75.702 -18.063  -3.801
   90    HA   GLN  16           HA       GLN  16  75.799 -19.959  -1.570
   91    HB2  GLN  16           HB2      GLN  16  74.969 -17.070  -1.825
   92    HB3  GLN  16           HB1      GLN  16  74.622 -18.014  -0.376
   93    HG2  GLN  16           HG2      GLN  16  76.812 -18.078   0.270
   94    HG3  GLN  16           HG1      GLN  16  77.403 -18.193  -1.386
   95   HE21  GLN  16          HE21      GLN  16  77.265 -16.081  -2.690
   96   HE22  GLN  16          HE22      GLN  16  77.485 -14.623  -1.849
   97    H    SER  17           HN       SER  17  74.320 -21.034  -3.548
   98    HA   SER  17           HA       SER  17  72.301 -22.158  -3.717
   99    HB2  SER  17           HB2      SER  17  70.915 -20.389  -1.766
  100    HB3  SER  17           HB1      SER  17  70.803 -22.133  -1.984
  101    HG   SER  17           HG       SER  17  73.011 -22.182  -1.144
  102    H    GLU  18           HN       GLU  18  73.144 -19.461  -4.896
  103    HA   GLU  18           HA       GLU  18  71.016 -17.767  -5.371
  104    HB2  GLU  18           HB2      GLU  18  73.583 -18.162  -6.446
  105    HB3  GLU  18           HB1      GLU  18  72.479 -18.212  -7.821
  106    HG2  GLU  18           HG2      GLU  18  73.109 -15.905  -7.465
  107    HG3  GLU  18           HG1      GLU  18  71.430 -16.091  -6.961
  108    H    CYS  19           HN       CYS  19  69.554 -17.579  -7.183
  109    HA   CYS  19           HA       CYS  19  68.079 -18.366  -8.781
  110    HB2  CYS  19           HB2      CYS  19  70.237 -19.824  -9.375
  111    HB3  CYS  19           HB1      CYS  19  69.215 -21.119  -8.750
  112    HG   CYS  19           HG       CYS  19  67.515 -20.700 -10.613
  113    H    GLU  20           HN       GLU  20  68.712 -19.821  -5.772
  114    HA   GLU  20           HA       GLU  20  67.470 -21.182  -4.367
  115    HB2  GLU  20           HB2      GLU  20  66.253 -18.823  -4.717
  116    HB3  GLU  20           HB1      GLU  20  64.987 -19.873  -5.353
  117    HG2  GLU  20           HG2      GLU  20  65.219 -21.260  -3.245
  118    HG3  GLU  20           HG1      GLU  20  66.263 -19.989  -2.610
  119    H    TYR  21           HN       TYR  21  67.738 -22.052  -7.261
  120    HA   TYR  21           HA       TYR  21  66.972 -23.741  -8.617
  121    HB2  TYR  21           HB2      TYR  21  66.062 -24.576  -5.882
  122    HB3  TYR  21           HB1      TYR  21  65.600 -25.529  -7.291
  123    HD1  TYR  21           HD1      TYR  21  68.564 -24.029  -5.574
  124    HD2  TYR  21           HD2      TYR  21  67.115 -27.053  -8.259
  125    HE1  TYR  21           HE1      TYR  21  70.810 -25.080  -5.603
  126    HE2  TYR  21           HE2      TYR  21  69.361 -28.104  -8.288
  127    HH   TYR  21           HH       TYR  21  71.905 -27.013  -7.793
  128    H    THR  22           HN       THR  22  65.605 -21.760  -9.377
  129    HA   THR  22           HA       THR  22  63.613 -20.956 -10.196
  130    HB   THR  22           HB       THR  22  62.193 -22.554 -11.174
  131    HG1  THR  22           HG1      THR  22  62.082 -24.688 -10.328
  132   HG21  THR  22          HG21      THR  22  63.692 -24.243 -12.092
  133   HG22  THR  22          HG22      THR  22  64.821 -24.004 -10.758
  134   HG23  THR  22          HG23      THR  22  64.563 -22.717 -11.935
  135    H    ASP  23           HN       ASP  23  63.938 -20.682  -7.420
  136    HA   ASP  23           HA       ASP  23  61.120 -20.777  -6.559
  137    HB2  ASP  23           HB2      ASP  23  62.816 -22.555  -5.530
  138    HB3  ASP  23           HB1      ASP  23  63.239 -21.186  -4.504
  139    H    TRP  24           HN       TRP  24  63.663 -18.910  -7.324
  140    HA   TRP  24           HA       TRP  24  63.564 -17.012  -5.137
  141    HB2  TRP  24           HB2      TRP  24  65.153 -15.732  -6.430
  142    HB3  TRP  24           HB1      TRP  24  65.627 -17.430  -6.500
  143    HD1  TRP  24           HD1      TRP  24  64.772 -18.792  -8.754
  144    HE1  TRP  24           HE1      TRP  24  64.607 -17.943 -11.183
  145    HE3  TRP  24           HE3      TRP  24  64.780 -13.752  -7.930
  146    HZ2  TRP  24           HZ2      TRP  24  64.493 -15.455 -12.590
  147    HZ3  TRP  24           HZ3      TRP  24  64.642 -12.167  -9.830
  148    HH2  TRP  24           HH2      TRP  24  64.499 -13.012 -12.157
  149    H    LYS  25           HN       LYS  25  61.360 -17.760  -7.365
  150    HA   LYS  25           HA       LYS  25  60.371 -14.984  -7.533
  151    HB2  LYS  25           HB2      LYS  25  59.379 -16.280  -9.806
  152    HB3  LYS  25           HB1      LYS  25  60.611 -15.021  -9.763
  153    HG2  LYS  25           HG2      LYS  25  61.451 -16.971 -10.983
  154    HG3  LYS  25           HG1      LYS  25  62.362 -16.766  -9.490
  155    HD2  LYS  25           HD2      LYS  25  61.782 -18.846  -8.854
  156    HD3  LYS  25           HD1      LYS  25  60.079 -18.390  -8.915
  157    HE2  LYS  25           HE2      LYS  25  60.087 -18.843 -11.370
  158    HE3  LYS  25           HE1      LYS  25  61.751 -19.409 -11.228
  159    HZ1  LYS  25           HZ1      LYS  25  59.310 -20.740 -10.548
  160    HZ2  LYS  25           HZ2      LYS  25  60.430 -20.757  -9.271
  161    HZ3  LYS  25           HZ3      LYS  25  60.860 -21.384 -10.790
  162    H    SER  26           HN       SER  26  59.876 -17.994  -6.361
  163    HA   SER  26           HA       SER  26  56.961 -17.979  -6.753
  164    HB2  SER  26           HB2      SER  26  58.265 -20.095  -7.117
  165    HB3  SER  26           HB1      SER  26  58.669 -20.079  -5.403
  166    HG   SER  26           HG       SER  26  56.168 -19.756  -5.333
  167    H    SER  27           HN       SER  27  59.386 -18.163  -4.151
  168    HA   SER  27           HA       SER  27  57.355 -17.668  -2.126
  169    HB2  SER  27           HB2      SER  27  60.336 -18.127  -2.013
  170    HB3  SER  27           HB1      SER  27  59.388 -17.703  -0.592
  171    HG   SER  27           HG       SER  27  58.786 -19.704  -0.517
  172    H    GLY  28           HN       GLY  28  57.907 -15.626  -4.181
  173    HA2  GLY  28           HA2      GLY  28  58.523 -13.400  -2.345
  174    HA3  GLY  28           HA1      GLY  28  59.306 -13.475  -3.920
  175    H    ALA  29           HN       ALA  29  56.146 -14.739  -3.886
  176    HA   ALA  29           HA       ALA  29  54.971 -12.175  -4.745
  177    HB1  ALA  29           HB1      ALA  29  55.360 -13.043  -6.857
  178    HB2  ALA  29           HB2      ALA  29  53.761 -13.705  -6.518
  179    HB3  ALA  29           HB3      ALA  29  55.193 -14.714  -6.316
  180    H    LEU  30           HN       LEU  30  54.838 -14.639  -2.645
  181    HA   LEU  30           HA       LEU  30  51.880 -14.702  -2.553
  182    HB2  LEU  30           HB2      LEU  30  53.778 -16.654  -1.240
  183    HB3  LEU  30           HB1      LEU  30  52.034 -16.816  -1.434
  184    HG   LEU  30           HG       LEU  30  54.081 -16.759  -3.672
  185   HD11  LEU  30          HD11      LEU  30  54.045 -18.884  -2.450
  186   HD12  LEU  30          HD12      LEU  30  53.297 -19.092  -4.034
  187   HD13  LEU  30          HD13      LEU  30  52.289 -18.957  -2.594
  188   HD21  LEU  30          HD21      LEU  30  51.876 -17.505  -4.926
  189   HD22  LEU  30          HD22      LEU  30  52.200 -15.792  -4.658
  190   HD23  LEU  30          HD23      LEU  30  51.080 -16.652  -3.603
  191    H    ILE  31           HN       ILE  31  54.823 -14.054  -0.767
  192    HA   ILE  31           HA       ILE  31  53.480 -13.701   1.755
  193    HB   ILE  31           HB       ILE  31  56.272 -13.464   0.763
  194   HG12  ILE  31          HG12      ILE  31  56.685 -14.805   2.761
  195   HG13  ILE  31          HG11      ILE  31  55.029 -14.541   3.308
  196   HG21  ILE  31          HG21      ILE  31  56.867 -12.413   3.020
  197   HG22  ILE  31          HG22      ILE  31  55.175 -11.937   3.137
  198   HG23  ILE  31          HG23      ILE  31  56.178 -11.321   1.820
  199   HD11  ILE  31          HD11      ILE  31  55.429 -15.677   0.573
  200   HD12  ILE  31          HD12      ILE  31  54.131 -15.971   1.731
  201   HD13  ILE  31          HD13      ILE  31  55.704 -16.738   1.955
  202    HA   PRO  32           HA       PRO  32  53.830  -9.108   0.658
  203    HB2  PRO  32           HB2      PRO  32  54.452  -8.339  -1.858
  204    HB3  PRO  32           HB1      PRO  32  55.696  -8.806  -0.681
  205    HG2  PRO  32           HG2      PRO  32  54.672 -10.276  -3.023
  206    HG3  PRO  32           HG1      PRO  32  56.258 -10.351  -2.241
  207    HD2  PRO  32           HD2      PRO  32  54.089 -12.177  -1.909
  208    HD3  PRO  32           HD1      PRO  32  55.625 -12.162  -1.021
  209    H    ALA  33           HN       ALA  33  51.738 -11.181  -0.160
  210    HA   ALA  33           HA       ALA  33  49.898  -9.269  -1.435
  211    HB1  ALA  33           HB1      ALA  33  49.116 -10.834  -3.030
  212    HB2  ALA  33           HB2      ALA  33  49.962 -12.171  -2.249
  213    HB3  ALA  33           HB3      ALA  33  50.875 -10.936  -3.115
  214    H    ILE  34           HN       ILE  34  50.475 -10.763   1.263
  215    HA   ILE  34           HA       ILE  34  47.638 -11.205   1.849
  216    HB   ILE  34           HB       ILE  34  49.724 -13.226   2.683
  217   HG12  ILE  34          HG12      ILE  34  47.799 -13.249   0.337
  218   HG13  ILE  34          HG11      ILE  34  49.559 -13.341   0.265
  219   HG21  ILE  34          HG21      ILE  34  47.855 -14.524   3.400
  220   HG22  ILE  34          HG22      ILE  34  46.714 -13.484   2.547
  221   HG23  ILE  34          HG23      ILE  34  47.542 -12.890   3.987
  222   HD11  ILE  34          HD11      ILE  34  49.339 -15.462   1.704
  223   HD12  ILE  34          HD12      ILE  34  48.832 -15.586   0.019
  224   HD13  ILE  34          HD13      ILE  34  47.624 -15.418   1.293
  225    H    TYR  35           HN       TYR  35  50.953 -11.164   3.142
  226    HA   TYR  35           HA       TYR  35  50.184 -10.599   5.822
  227    HB2  TYR  35           HB2      TYR  35  52.690 -10.741   4.278
  228    HB3  TYR  35           HB1      TYR  35  52.724  -9.615   5.636
  229    HD1  TYR  35           HD1      TYR  35  51.770 -13.120   4.733
  230    HD2  TYR  35           HD2      TYR  35  53.000 -10.411   7.832
  231    HE1  TYR  35           HE1      TYR  35  51.994 -15.023   6.308
  232    HE2  TYR  35           HE2      TYR  35  53.224 -12.314   9.407
  233    HH   TYR  35           HH       TYR  35  53.327 -15.501   8.433
  234    H    MET  36           HN       MET  36  49.627  -8.788   3.205
  235    HA   MET  36           HA       MET  36  50.343  -6.206   4.412
  236    HB2  MET  36           HB2      MET  36  49.310  -6.968   1.676
  237    HB3  MET  36           HB1      MET  36  49.517  -5.299   2.206
  238    HG2  MET  36           HG2      MET  36  51.760  -7.320   2.343
  239    HG3  MET  36           HG1      MET  36  51.478  -6.324   0.915
  240    HE1  MET  36           HE1      MET  36  54.586  -4.897   2.389
  241    HE2  MET  36           HE2      MET  36  53.917  -6.442   1.870
  242    HE3  MET  36           HE3      MET  36  54.177  -6.135   3.584
  243    H    LEU  37           HN       LEU  37  47.490  -7.622   2.788
  244    HA   LEU  37           HA       LEU  37  45.627  -5.741   3.677
  245    HB2  LEU  37           HB2      LEU  37  45.068  -8.676   3.206
  246    HB3  LEU  37           HB1      LEU  37  43.932  -7.334   3.063
  247    HG   LEU  37           HG       LEU  37  46.399  -7.753   1.348
  248   HD11  LEU  37          HD11      LEU  37  44.961  -8.453  -0.367
  249   HD12  LEU  37          HD12      LEU  37  43.542  -7.742   0.400
  250   HD13  LEU  37          HD13      LEU  37  44.251  -9.218   1.054
  251   HD21  LEU  37          HD21      LEU  37  45.101  -5.870   0.038
  252   HD22  LEU  37          HD22      LEU  37  46.135  -5.432   1.398
  253   HD23  LEU  37          HD23      LEU  37  44.388  -5.535   1.616
  254    H    VAL  38           HN       VAL  38  47.437  -7.825   5.528
  255    HA   VAL  38           HA       VAL  38  45.384  -8.094   7.622
  256    HB   VAL  38           HB       VAL  38  48.131  -9.351   7.419
  257   HG11  VAL  38          HG11      VAL  38  47.050 -10.860   9.211
  258   HG12  VAL  38          HG12      VAL  38  45.857  -9.575   9.394
  259   HG13  VAL  38          HG13      VAL  38  47.559  -9.250   9.720
  260   HG21  VAL  38          HG21      VAL  38  45.423 -10.665   7.089
  261   HG22  VAL  38          HG22      VAL  38  47.008 -11.350   6.731
  262   HG23  VAL  38          HG23      VAL  38  46.356 -10.060   5.720
  263    H    PHE  39           HN       PHE  39  48.836  -7.224   7.324
  264    HA   PHE  39           HA       PHE  39  49.373  -6.208   9.786
  265    HB2  PHE  39           HB2      PHE  39  50.676  -6.149   7.417
  266    HB3  PHE  39           HB1      PHE  39  50.236  -4.448   7.568
  267    HD1  PHE  39           HD2      PHE  39  52.079  -7.245   9.134
  268    HD2  PHE  39           HD1      PHE  39  51.170  -3.051   9.309
  269    HE1  PHE  39           HE2      PHE  39  53.902  -6.920  10.784
  270    HE2  PHE  39           HE1      PHE  39  52.992  -2.725  10.958
  271    HZ   PHE  39           HZ       PHE  39  54.359  -4.659  11.696
  272    H    LEU  40           HN       LEU  40  47.583  -4.575   7.203
  273    HA   LEU  40           HA       LEU  40  46.981  -2.355   9.046
  274    HB2  LEU  40           HB2      LEU  40  46.686  -2.608   6.045
  275    HB3  LEU  40           HB1      LEU  40  46.156  -1.209   6.980
  276    HG   LEU  40           HG       LEU  40  48.923  -2.070   7.535
  277   HD11  LEU  40          HD11      LEU  40  48.849  -2.498   5.116
  278   HD12  LEU  40          HD12      LEU  40  49.805  -1.054   5.450
  279   HD13  LEU  40          HD13      LEU  40  48.157  -0.900   4.842
  280   HD21  LEU  40          HD21      LEU  40  49.285   0.349   7.480
  281   HD22  LEU  40          HD22      LEU  40  47.833  -0.001   8.417
  282   HD23  LEU  40          HD23      LEU  40  47.693   0.596   6.763
  283    H    LEU  41           HN       LEU  41  45.692  -4.650   9.727
  284    HA   LEU  41           HA       LEU  41  42.944  -3.876   9.512
  285    HB2  LEU  41           HB2      LEU  41  43.024  -4.942   7.360
  286    HB3  LEU  41           HB1      LEU  41  43.889  -6.329   8.015
  287    HG   LEU  41           HG       LEU  41  41.955  -7.040   9.271
  288   HD11  LEU  41          HD11      LEU  41  40.994  -5.044  10.095
  289   HD12  LEU  41          HD12      LEU  41  39.796  -5.639   8.947
  290   HD13  LEU  41          HD13      LEU  41  40.884  -4.330   8.487
  291   HD21  LEU  41          HD21      LEU  41  40.344  -7.428   7.465
  292   HD22  LEU  41          HD22      LEU  41  41.988  -7.592   6.847
  293   HD23  LEU  41          HD23      LEU  41  41.065  -6.126   6.518
  294    H    GLY  42           HN       GLY  42  44.852  -6.862   9.985
  295    HA2  GLY  42           HA2      GLY  42  43.272  -7.720  12.214
  296    HA3  GLY  42           HA1      GLY  42  44.790  -8.433  11.677
  297    H    THR  43           HN       THR  43  44.972  -5.072  12.166
  298    HA   THR  43           HA       THR  43  45.458  -5.010  14.971
  299    HB   THR  43           HB       THR  43  47.430  -6.335  14.355
  300    HG1  THR  43           HG1      THR  43  47.881  -4.999  15.993
  301   HG21  THR  43          HG21      THR  43  48.419  -3.998  12.738
  302   HG22  THR  43          HG22      THR  43  47.440  -5.256  11.982
  303   HG23  THR  43          HG23      THR  43  48.984  -5.668  12.729
  304    H    THR  44           HN       THR  44  46.527  -3.603  11.875
  305    HA   THR  44           HA       THR  44  46.739  -1.413  11.194
  306    HB   THR  44           HB       THR  44  44.767  -0.254  11.287
  307    HG1  THR  44           HG1      THR  44  44.091   0.452  13.132
  308   HG21  THR  44          HG21      THR  44  42.985  -1.765  11.286
  309   HG22  THR  44          HG22      THR  44  43.632  -2.682  12.645
  310   HG23  THR  44          HG23      THR  44  44.369  -2.830  11.051
  311    H    GLY  45           HN       GLY  45  47.739  -2.361  14.045
  312    HA2  GLY  45           HA2      GLY  45  49.400  -1.292  15.335
  313    HA3  GLY  45           HA1      GLY  45  48.830   0.264  14.740
  314    H    ASN  46           HN       ASN  46  46.033  -1.073  15.413
  315    HA   ASN  46           HA       ASN  46  45.750   0.278  17.940
  316    HB2  ASN  46           HB2      ASN  46  43.805  -1.478  16.424
  317    HB3  ASN  46           HB1      ASN  46  43.405  -0.452  17.801
  318   HD21  ASN  46          HD21      ASN  46  42.488  -0.280  14.903
  319   HD22  ASN  46          HD22      ASN  46  42.883   1.299  14.424
  320    H    GLY  47           HN       GLY  47  46.765  -2.803  17.019
  321    HA2  GLY  47           HA2      GLY  47  45.763  -4.174  19.391
  322    HA3  GLY  47           HA1      GLY  47  46.744  -4.881  18.109
  323    H    LEU  48           HN       LEU  48  48.461  -2.302  18.480
  324    HA   LEU  48           HA       LEU  48  50.009  -3.306  20.796
  325    HB2  LEU  48           HB2      LEU  48  51.645  -1.781  19.001
  326    HB3  LEU  48           HB1      LEU  48  51.814  -3.469  19.480
  327    HG   LEU  48           HG       LEU  48  49.972  -2.476  17.281
  328   HD11  LEU  48          HD11      LEU  48  52.430  -2.259  16.792
  329   HD12  LEU  48          HD12      LEU  48  51.589  -3.389  15.730
  330   HD13  LEU  48          HD13      LEU  48  52.582  -3.997  17.054
  331   HD21  LEU  48          HD21      LEU  48  50.095  -4.919  18.767
  332   HD22  LEU  48          HD22      LEU  48  50.654  -5.251  17.129
  333   HD23  LEU  48          HD23      LEU  48  49.063  -4.538  17.388
  334    H    VAL  49           HN       VAL  49  47.895  -1.119  20.402
  335    HA   VAL  49           HA       VAL  49  49.500   1.131  21.468
  336    HB   VAL  49           HB       VAL  49  46.976   1.118  19.813
  337   HG11  VAL  49          HG11      VAL  49  46.440   2.783  21.355
  338   HG12  VAL  49          HG12      VAL  49  47.334   3.708  20.148
  339   HG13  VAL  49          HG13      VAL  49  48.130   3.204  21.639
  340   HG21  VAL  49          HG21      VAL  49  48.274   2.096  18.165
  341   HG22  VAL  49          HG22      VAL  49  49.507   1.116  18.958
  342   HG23  VAL  49          HG23      VAL  49  49.376   2.835  19.327
  343    H    LEU  50           HN       LEU  50  46.179  -0.189  21.556
  344    HA   LEU  50           HA       LEU  50  45.792   0.916  24.226
  345    HB2  LEU  50           HB2      LEU  50  43.488   0.067  23.981
  346    HB3  LEU  50           HB1      LEU  50  43.959   1.070  22.609
  347    HG   LEU  50           HG       LEU  50  44.782  -1.443  21.816
  348   HD11  LEU  50          HD11      LEU  50  43.075  -3.022  22.333
  349   HD12  LEU  50          HD12      LEU  50  42.034  -1.781  23.030
  350   HD13  LEU  50          HD13      LEU  50  43.498  -2.280  23.876
  351   HD21  LEU  50          HD21      LEU  50  42.779  -1.347  20.335
  352   HD22  LEU  50          HD22      LEU  50  43.613   0.203  20.424
  353   HD23  LEU  50          HD23      LEU  50  42.126  -0.052  21.337
  354    H    TRP  51           HN       TRP  51  46.183  -2.218  22.659
  355    HA   TRP  51           HA       TRP  51  45.645  -3.734  25.047
  356    HB2  TRP  51           HB2      TRP  51  45.250  -5.095  23.258
  357    HB3  TRP  51           HB1      TRP  51  46.473  -4.313  22.258
  358    HD1  TRP  51           HD1      TRP  51  49.037  -5.038  22.659
  359    HE1  TRP  51           HE1      TRP  51  50.044  -7.231  23.565
  360    HE3  TRP  51           HE3      TRP  51  44.907  -7.050  24.888
  361    HZ2  TRP  51           HZ2      TRP  51  49.208  -9.534  25.041
  362    HZ3  TRP  51           HZ3      TRP  51  45.040  -9.242  26.036
  363    HH2  TRP  51           HH2      TRP  51  47.183 -10.485  26.115
  364    H    THR  52           HN       THR  52  48.548  -2.691  23.298
  365    HA   THR  52           HA       THR  52  50.538  -4.036  24.616
  366    HB   THR  52           HB       THR  52  50.805  -2.319  22.772
  367    HG1  THR  52           HG1      THR  52  52.430  -2.281  25.086
  368   HG21  THR  52          HG21      THR  52  51.144  -0.271  24.925
  369   HG22  THR  52          HG22      THR  52  49.514  -0.611  24.342
  370   HG23  THR  52          HG23      THR  52  50.753  -0.050  23.219
  371    H    VAL  53           HN       VAL  53  48.370  -1.692  25.917
  372    HA   VAL  53           HA       VAL  53  49.957  -0.903  28.166
  373    HB   VAL  53           HB       VAL  53  46.953  -0.817  27.792
  374   HG11  VAL  53          HG11      VAL  53  47.889   1.288  29.415
  375   HG12  VAL  53          HG12      VAL  53  48.702  -0.161  30.005
  376   HG13  VAL  53          HG13      VAL  53  46.940  -0.107  29.929
  377   HG21  VAL  53          HG21      VAL  53  47.700   1.705  27.414
  378   HG22  VAL  53          HG22      VAL  53  47.724   0.552  26.080
  379   HG23  VAL  53          HG23      VAL  53  49.218   0.948  26.929
  380    H    PHE  54           HN       PHE  54  47.231  -3.169  27.768
  381    HA   PHE  54           HA       PHE  54  47.294  -4.111  30.450
  382    HB2  PHE  54           HB2      PHE  54  45.855  -4.732  27.984
  383    HB3  PHE  54           HB1      PHE  54  46.195  -6.164  28.956
  384    HD1  PHE  54           HD2      PHE  54  44.760  -2.723  29.118
  385    HD2  PHE  54           HD1      PHE  54  44.992  -6.602  30.948
  386    HE1  PHE  54           HE2      PHE  54  42.949  -2.089  30.689
  387    HE2  PHE  54           HE1      PHE  54  43.181  -5.969  32.519
  388    HZ   PHE  54           HZ       PHE  54  42.159  -3.712  32.390
  389    H    ARG  55           HN       ARG  55  49.369  -4.618  27.829
  390    HA   ARG  55           HA       ARG  55  50.294  -7.219  28.858
  391    HB2  ARG  55           HB2      ARG  55  49.820  -6.904  26.390
  392    HB3  ARG  55           HB1      ARG  55  51.200  -5.807  26.345
  393    HG2  ARG  55           HG2      ARG  55  52.656  -7.605  27.216
  394    HG3  ARG  55           HG1      ARG  55  51.276  -8.705  27.234
  395    HD2  ARG  55           HD2      ARG  55  51.524  -9.143  25.043
  396    HD3  ARG  55           HD1      ARG  55  51.489  -7.426  24.654
  397    HE   ARG  55           HE       ARG  55  54.020  -8.348  25.724
  398   HH11  ARG  55          HH21      ARG  55  52.030  -7.881  22.932
  399   HH12  ARG  55          HH22      ARG  55  53.361  -7.809  21.826
  400   HH21  ARG  55          HH11      ARG  55  55.770  -8.255  24.280
  401   HH22  ARG  55          HH12      ARG  55  55.478  -8.021  22.588
  402    H    LYS  56           HN       LYS  56  51.304  -3.894  28.284
  403    HA   LYS  56           HA       LYS  56  54.032  -4.055  28.708
  404    HB2  LYS  56           HB2      LYS  56  51.962  -1.974  29.118
  405    HB3  LYS  56           HB1      LYS  56  53.486  -1.734  29.973
  406    HG2  LYS  56           HG2      LYS  56  54.743  -1.721  27.970
  407    HG3  LYS  56           HG1      LYS  56  53.432  -2.454  27.044
  408    HD2  LYS  56           HD2      LYS  56  52.087  -0.423  27.276
  409    HD3  LYS  56           HD1      LYS  56  53.336   0.312  28.283
  410    HE2  LYS  56           HE2      LYS  56  54.248  -0.713  25.655
  411    HE3  LYS  56           HE1      LYS  56  53.179   0.687  25.599
  412    HZ1  LYS  56           HZ1      LYS  56  55.217   0.870  27.620
  413    HZ2  LYS  56           HZ2      LYS  56  54.745   2.004  26.445
  414    HZ3  LYS  56           HZ3      LYS  56  55.844   0.771  26.047
  415    H    LYS  57           HN       LYS  57  51.424  -3.957  31.104
  416    HA   LYS  57           HA       LYS  57  52.982  -3.730  33.421
  417    HB2  LYS  57           HB2      LYS  57  50.416  -5.309  33.143
  418    HB3  LYS  57           HB1      LYS  57  51.064  -4.579  34.613
  419    HG2  LYS  57           HG2      LYS  57  50.865  -2.336  33.561
  420    HG3  LYS  57           HG1      LYS  57  50.148  -3.088  32.135
  421    HD2  LYS  57           HD2      LYS  57  48.437  -4.114  33.788
  422    HD3  LYS  57           HD1      LYS  57  49.015  -2.894  34.924
  423    HE2  LYS  57           HE2      LYS  57  48.471  -1.115  33.314
  424    HE3  LYS  57           HE1      LYS  57  47.919  -2.323  32.154
  425    HZ1  LYS  57           HZ1      LYS  57  46.018  -1.516  33.269
  426    HZ2  LYS  57           HZ2      LYS  57  46.740  -1.681  34.797
  427    HZ3  LYS  57           HZ3      LYS  57  46.314  -3.061  33.901
  428    H    GLY  58           HN       GLY  58  52.675  -6.321  31.205
  429    HA2  GLY  58           HA2      GLY  58  54.491  -7.947  32.798
  430    HA3  GLY  58           HA1      GLY  58  52.916  -8.666  32.478
  431    H    HIS  59           HN       HIS  59  55.742  -7.232  30.877
  432    HA   HIS  59           HA       HIS  59  55.273  -7.722  28.240
  433    HB2  HIS  59           HB2      HIS  59  57.576  -7.322  29.864
  434    HB3  HIS  59           HB1      HIS  59  57.919  -8.661  28.767
  435    HD2  HIS  59           HD2      HIS  59  55.958  -5.264  28.010
  436    HE1  HIS  59           HE1      HIS  59  58.983  -5.813  25.117
  437    HE2  HIS  59           HE2      HIS  59  57.066  -4.315  25.845
  438    H    HIS  60           HN       HIS  60  55.918 -10.085  30.742
  439    HA   HIS  60           HA       HIS  60  55.099 -12.218  28.927
  440    HB2  HIS  60           HB2      HIS  60  57.216 -12.861  28.512
  441    HB3  HIS  60           HB1      HIS  60  57.867 -11.792  29.755
  442    HD2  HIS  60           HD2      HIS  60  58.164 -12.992  32.327
  443    HE1  HIS  60           HE1      HIS  60  57.149 -16.898  31.089
  444    HE2  HIS  60           HE2      HIS  60  58.090 -15.514  32.999
  445    H    HIS  61           HN       HIS  61  56.495 -11.614  32.159
  446    HA   HIS  61           HA       HIS  61  54.171 -12.521  33.529
  447    HB2  HIS  61           HB2      HIS  61  55.473 -14.646  32.558
  448    HB3  HIS  61           HB1      HIS  61  56.418 -14.407  34.028
  449    HD2  HIS  61           HD2      HIS  61  52.458 -14.239  33.500
  450    HE1  HIS  61           HE1      HIS  61  53.335 -16.715  36.806
  451    HE2  HIS  61           HE2      HIS  61  51.462 -15.705  35.419
  452    H    HIS  62           HN       HIS  62  54.310 -10.912  34.991
  453    HA   HIS  62           HA       HIS  62  56.746  -9.934  36.084
  454    HB2  HIS  62           HB2      HIS  62  54.234  -8.959  35.974
  455    HB3  HIS  62           HB1      HIS  62  54.244  -9.565  37.630
  456    HD2  HIS  62           HD2      HIS  62  57.612  -8.753  37.931
  457    HE1  HIS  62           HE1      HIS  62  56.027  -4.847  37.692
  458    HE2  HIS  62           HE2      HIS  62  58.061  -6.216  38.354
  459    H    HIS  63           HN       HIS  63  54.201 -12.053  37.392
  460    HA   HIS  63           HA       HIS  63  54.157 -13.334  39.320
  461    HB2  HIS  63           HB2      HIS  63  55.501 -14.673  37.690
  462    HB3  HIS  63           HB1      HIS  63  56.964 -13.983  38.394
  463    HD2  HIS  63           HD2      HIS  63  53.839 -15.446  40.391
  464    HE1  HIS  63           HE1      HIS  63  57.338 -17.473  41.603
  465    HE2  HIS  63           HE2      HIS  63  54.842 -17.233  42.008
  466    H    HIS  64           HN       HIS  64  54.389 -10.991  40.332
  467    HA   HIS  64           HA       HIS  64  56.797 -10.250  41.599
  468    HB2  HIS  64           HB2      HIS  64  53.977  -9.463  41.717
  469    HB3  HIS  64           HB1      HIS  64  54.815  -9.292  43.259
  470    HD2  HIS  64           HD2      HIS  64  54.660  -7.536  39.814
  471    HE1  HIS  64           HE1      HIS  64  57.852  -5.777  41.945
  472    HE2  HIS  64           HE2      HIS  64  56.394  -5.585  39.874
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  40.277 -39.128 -33.513
    2    H2   MET   1           HT2      MET   1  38.778 -38.648 -34.154
    3    H3   MET   1           HT3      MET   1  38.845 -39.835 -32.939
    4    HA   MET   1           HA       MET   1  38.325 -37.261 -32.473
    5    HB2  MET   1           HB2      MET   1  39.503 -39.487 -30.849
    6    HB3  MET   1           HB1      MET   1  39.346 -37.893 -30.112
    7    HG2  MET   1           HG2      MET   1  36.999 -39.029 -31.588
    8    HG3  MET   1           HG1      MET   1  37.355 -39.630 -29.969
    9    HE1  MET   1           HE1      MET   1  36.287 -38.488 -27.885
   10    HE2  MET   1           HE2      MET   1  36.883 -36.858 -27.585
   11    HE3  MET   1           HE3      MET   1  38.008 -38.121 -28.075
   12    H    GLU   2           HN       GLU   2  39.391 -35.393 -32.591
   13    HA   GLU   2           HA       GLU   2  42.234 -35.315 -33.036
   14    HB2  GLU   2           HB2      GLU   2  40.275 -33.055 -32.570
   15    HB3  GLU   2           HB1      GLU   2  41.919 -32.890 -33.188
   16    HG2  GLU   2           HG2      GLU   2  41.133 -33.232 -35.264
   17    HG3  GLU   2           HG1      GLU   2  40.662 -34.861 -34.782
   18    H    GLU   3           HN       GLU   3  43.684 -35.459 -31.456
   19    HA   GLU   3           HA       GLU   3  42.936 -34.693 -28.725
   20    HB2  GLU   3           HB2      GLU   3  45.279 -36.234 -29.855
   21    HB3  GLU   3           HB1      GLU   3  45.141 -35.785 -28.155
   22    HG2  GLU   3           HG2      GLU   3  43.182 -37.099 -27.855
   23    HG3  GLU   3           HG1      GLU   3  42.946 -37.280 -29.593
   24    H    GLY   4           HN       GLY   4  43.688 -32.854 -31.069
   25    HA2  GLY   4           HA2      GLY   4  44.530 -30.612 -30.093
   26    HA3  GLY   4           HA1      GLY   4  46.028 -31.513 -29.881
   27    H    GLY   5           HN       GLY   5  46.991 -32.476 -31.844
   28    HA2  GLY   5           HA2      GLY   5  46.360 -32.147 -34.456
   29    HA3  GLY   5           HA1      GLY   5  46.969 -30.555 -34.012
   30    H    ASP   6           HN       ASP   6  49.147 -30.249 -33.707
   31    HA   ASP   6           HA       ASP   6  50.876 -32.414 -34.642
   32    HB2  ASP   6           HB2      ASP   6  51.357 -29.472 -34.143
   33    HB3  ASP   6           HB1      ASP   6  52.622 -30.596 -34.636
   34    H    PHE   7           HN       PHE   7  49.903 -30.937 -31.719
   35    HA   PHE   7           HA       PHE   7  50.523 -31.269 -29.533
   36    HB2  PHE   7           HB2      PHE   7  52.360 -33.484 -30.378
   37    HB3  PHE   7           HB1      PHE   7  51.342 -33.366 -28.942
   38    HD1  PHE   7           HD1      PHE   7  48.771 -33.319 -29.321
   39    HD2  PHE   7           HD2      PHE   7  51.598 -34.656 -32.266
   40    HE1  PHE   7           HE1      PHE   7  46.965 -34.545 -30.498
   41    HE2  PHE   7           HE2      PHE   7  49.792 -35.881 -33.443
   42    HZ   PHE   7           HZ       PHE   7  47.475 -35.826 -32.559
   43    H    ASP   8           HN       ASP   8  51.916 -29.331 -30.986
   44    HA   ASP   8           HA       ASP   8  54.373 -29.211 -29.433
   45    HB2  ASP   8           HB2      ASP   8  54.374 -29.224 -32.456
   46    HB3  ASP   8           HB1      ASP   8  55.723 -28.640 -31.483
   47    H    ASN   9           HN       ASN   9  52.398 -27.641 -28.831
   48    HA   ASN   9           HA       ASN   9  53.287 -25.010 -29.676
   49    HB2  ASN   9           HB2      ASN   9  51.641 -24.596 -31.132
   50    HB3  ASN   9           HB1      ASN   9  50.987 -26.213 -30.877
   51   HD21  ASN   9          HD21      ASN   9  49.024 -26.367 -29.736
   52   HD22  ASN   9          HD22      ASN   9  48.279 -25.062 -28.946
   53    H    TYR  10           HN       TYR  10  51.739 -27.160 -27.527
   54    HA   TYR  10           HA       TYR  10  51.665 -25.072 -25.473
   55    HB2  TYR  10           HB2      TYR  10  49.375 -25.178 -26.460
   56    HB3  TYR  10           HB1      TYR  10  49.296 -26.879 -26.004
   57    HD1  TYR  10           HD1      TYR  10  49.911 -23.475 -24.576
   58    HD2  TYR  10           HD2      TYR  10  48.591 -27.497 -23.849
   59    HE1  TYR  10           HE1      TYR  10  49.210 -22.831 -22.287
   60    HE2  TYR  10           HE2      TYR  10  47.891 -26.854 -21.559
   61    HH   TYR  10           HH       TYR  10  47.450 -23.755 -20.576
   62    H    TYR  11           HN       TYR  11  52.322 -28.205 -26.487
   63    HA   TYR  11           HA       TYR  11  52.101 -29.498 -23.906
   64    HB2  TYR  11           HB2      TYR  11  52.965 -30.292 -26.646
   65    HB3  TYR  11           HB1      TYR  11  53.580 -31.232 -25.287
   66    HD1  TYR  11           HD1      TYR  11  50.420 -29.884 -26.765
   67    HD2  TYR  11           HD2      TYR  11  52.228 -32.855 -24.244
   68    HE1  TYR  11           HE1      TYR  11  48.245 -31.064 -26.594
   69    HE2  TYR  11           HE2      TYR  11  50.054 -34.034 -24.073
   70    HH   TYR  11           HH       TYR  11  47.631 -33.718 -26.066
   71    H    GLY  12           HN       GLY  12  53.421 -27.848 -22.786
   72    HA2  GLY  12           HA2      GLY  12  55.671 -28.459 -21.673
   73    HA3  GLY  12           HA1      GLY  12  56.316 -28.113 -23.275
   74    H    ALA  13           HN       ALA  13  55.976 -25.936 -24.142
   75    HA   ALA  13           HA       ALA  13  54.955 -23.759 -22.743
   76    HB1  ALA  13           HB1      ALA  13  56.430 -23.860 -20.967
   77    HB2  ALA  13           HB2      ALA  13  57.337 -22.828 -22.073
   78    HB3  ALA  13           HB3      ALA  13  57.729 -24.543 -21.945
   79    H    ASP  14           HN       ASP  14  54.568 -23.779 -25.150
   80    HA   ASP  14           HA       ASP  14  56.710 -23.069 -26.915
   81    HB2  ASP  14           HB2      ASP  14  54.333 -24.110 -27.404
   82    HB3  ASP  14           HB1      ASP  14  53.858 -22.417 -27.535
   83    H    ASN  15           HN       ASN  15  53.984 -21.231 -25.526
   84    HA   ASN  15           HA       ASN  15  55.542 -18.892 -25.100
   85    HB2  ASN  15           HB2      ASN  15  54.197 -17.492 -26.798
   86    HB3  ASN  15           HB1      ASN  15  55.532 -18.465 -27.412
   87   HD21  ASN  15          HD21      ASN  15  55.029 -20.209 -28.843
   88   HD22  ASN  15          HD22      ASN  15  53.450 -20.546 -29.364
   89    H    GLN  16           HN       GLN  16  54.028 -20.139 -23.328
   90    HA   GLN  16           HA       GLN  16  51.296 -19.361 -23.230
   91    HB2  GLN  16           HB2      GLN  16  51.796 -19.788 -20.654
   92    HB3  GLN  16           HB1      GLN  16  51.687 -21.122 -21.804
   93    HG2  GLN  16           HG2      GLN  16  53.732 -21.101 -20.244
   94    HG3  GLN  16           HG1      GLN  16  54.043 -21.325 -21.964
   95   HE21  GLN  16          HE21      GLN  16  55.407 -19.807 -22.972
   96   HE22  GLN  16          HE22      GLN  16  55.954 -18.381 -22.230
   97    H    SER  17           HN       SER  17  53.820 -17.387 -23.349
   98    HA   SER  17           HA       SER  17  53.931 -15.103 -22.970
   99    HB2  SER  17           HB2      SER  17  51.703 -15.114 -20.996
  100    HB3  SER  17           HB1      SER  17  52.095 -13.938 -22.245
  101    HG   SER  17           HG       SER  17  51.530 -15.860 -23.687
  102    H    GLU  18           HN       GLU  18  55.505 -16.910 -21.626
  103    HA   GLU  18           HA       GLU  18  55.473 -16.558 -18.796
  104    HB2  GLU  18           HB2      GLU  18  56.873 -18.144 -20.635
  105    HB3  GLU  18           HB1      GLU  18  58.101 -17.146 -19.855
  106    HG2  GLU  18           HG2      GLU  18  57.176 -17.801 -17.635
  107    HG3  GLU  18           HG1      GLU  18  56.037 -18.869 -18.455
  108    H    CYS  19           HN       CYS  19  58.074 -15.908 -18.142
  109    HA   CYS  19           HA       CYS  19  59.364 -14.087 -17.600
  110    HB2  CYS  19           HB2      CYS  19  58.688 -13.090 -20.372
  111    HB3  CYS  19           HB1      CYS  19  60.119 -12.715 -19.412
  112    HG   CYS  19           HG       CYS  19  60.133 -14.895 -21.294
  113    H    GLU  20           HN       GLU  20  56.734 -13.961 -16.710
  114    HA   GLU  20           HA       GLU  20  55.679 -11.319 -17.318
  115    HB2  GLU  20           HB2      GLU  20  54.777 -13.384 -15.294
  116    HB3  GLU  20           HB1      GLU  20  53.896 -11.921 -15.740
  117    HG2  GLU  20           HG2      GLU  20  54.655 -13.433 -18.099
  118    HG3  GLU  20           HG1      GLU  20  53.717 -14.429 -16.986
  119    H    TYR  21           HN       TYR  21  58.288 -12.123 -15.709
  120    HA   TYR  21           HA       TYR  21  59.530 -11.163 -14.031
  121    HB2  TYR  21           HB2      TYR  21  57.558  -8.947 -13.711
  122    HB3  TYR  21           HB1      TYR  21  59.320  -8.887 -13.765
  123    HD1  TYR  21           HD1      TYR  21  59.980 -10.343 -16.203
  124    HD2  TYR  21           HD2      TYR  21  56.776  -7.582 -15.455
  125    HE1  TYR  21           HE1      TYR  21  59.889  -9.795 -18.620
  126    HE2  TYR  21           HE2      TYR  21  56.684  -7.033 -17.872
  127    HH   TYR  21           HH       TYR  21  57.377  -8.360 -20.084
  128    H    THR  22           HN       THR  22  56.550 -12.423 -13.613
  129    HA   THR  22           HA       THR  22  56.880 -12.545 -10.717
  130    HB   THR  22           HB       THR  22  54.512 -11.915 -10.313
  131    HG1  THR  22           HG1      THR  22  53.493 -10.784 -12.069
  132   HG21  THR  22          HG21      THR  22  55.948  -9.707 -11.795
  133   HG22  THR  22          HG22      THR  22  56.480 -10.285 -10.216
  134   HG23  THR  22          HG23      THR  22  54.882  -9.562 -10.397
  135    H    ASP  23           HN       ASP  23  56.715 -14.200 -13.357
  136    HA   ASP  23           HA       ASP  23  55.060 -16.345 -12.183
  137    HB2  ASP  23           HB2      ASP  23  53.861 -15.166 -14.067
  138    HB3  ASP  23           HB1      ASP  23  55.146 -15.720 -15.139
  139    H    TRP  24           HN       TRP  24  57.658 -15.428 -14.408
  140    HA   TRP  24           HA       TRP  24  58.599 -17.885 -15.214
  141    HB2  TRP  24           HB2      TRP  24  60.813 -16.856 -15.388
  142    HB3  TRP  24           HB1      TRP  24  59.571 -15.735 -15.940
  143    HD1  TRP  24           HD1      TRP  24  58.655 -14.014 -13.877
  144    HE1  TRP  24           HE1      TRP  24  60.110 -12.727 -12.181
  145    HE3  TRP  24           HE3      TRP  24  62.952 -16.762 -14.133
  146    HZ2  TRP  24           HZ2      TRP  24  62.746 -12.848 -11.078
  147    HZ3  TRP  24           HZ3      TRP  24  64.917 -16.154 -12.750
  148    HH2  TRP  24           HH2      TRP  24  64.818 -14.202 -11.224
  149    H    LYS  25           HN       LYS  25  58.385 -16.691 -12.040
  150    HA   LYS  25           HA       LYS  25  59.932 -18.999 -11.056
  151    HB2  LYS  25           HB2      LYS  25  60.598 -17.460  -9.099
  152    HB3  LYS  25           HB1      LYS  25  61.452 -17.258 -10.626
  153    HG2  LYS  25           HG2      LYS  25  60.835 -15.064  -9.770
  154    HG3  LYS  25           HG1      LYS  25  59.887 -15.398 -11.215
  155    HD2  LYS  25           HD2      LYS  25  57.917 -15.717 -10.012
  156    HD3  LYS  25           HD1      LYS  25  58.769 -16.139  -8.528
  157    HE2  LYS  25           HE2      LYS  25  59.008 -13.379  -9.712
  158    HE3  LYS  25           HE1      LYS  25  57.654 -13.801  -8.665
  159    HZ1  LYS  25           HZ1      LYS  25  59.863 -14.769  -7.375
  160    HZ2  LYS  25           HZ2      LYS  25  59.001 -13.359  -6.977
  161    HZ3  LYS  25           HZ3      LYS  25  60.369 -13.268  -7.981
  162    H    SER  26           HN       SER  26  57.023 -17.548 -11.262
  163    HA   SER  26           HA       SER  26  55.116 -17.450  -9.948
  164    HB2  SER  26           HB2      SER  26  55.880 -20.208  -9.054
  165    HB3  SER  26           HB1      SER  26  54.303 -19.588  -9.533
  166    HG   SER  26           HG       SER  26  56.364 -19.513 -11.410
  167    H    SER  27           HN       SER  27  56.614 -15.938  -8.539
  168    HA   SER  27           HA       SER  27  56.062 -16.662  -5.790
  169    HB2  SER  27           HB2      SER  27  58.481 -17.487  -6.624
  170    HB3  SER  27           HB1      SER  27  58.882 -15.827  -6.193
  171    HG   SER  27           HG       SER  27  57.363 -16.682  -4.268
  172    H    GLY  28           HN       GLY  28  55.190 -14.628  -7.643
  173    HA2  GLY  28           HA2      GLY  28  55.701 -12.297  -5.980
  174    HA3  GLY  28           HA1      GLY  28  56.242 -12.159  -7.651
  175    H    ALA  29           HN       ALA  29  53.469 -14.103  -6.916
  176    HA   ALA  29           HA       ALA  29  51.652 -11.951  -7.796
  177    HB1  ALA  29           HB1      ALA  29  51.546 -13.016  -9.791
  178    HB2  ALA  29           HB2      ALA  29  50.527 -14.169  -8.929
  179    HB3  ALA  29           HB3      ALA  29  52.246 -14.500  -9.145
  180    H    LEU  30           HN       LEU  30  52.380 -14.502  -5.693
  181    HA   LEU  30           HA       LEU  30  49.643 -14.413  -4.572
  182    HB2  LEU  30           HB2      LEU  30  51.430 -16.835  -4.408
  183    HB3  LEU  30           HB1      LEU  30  49.701 -16.727  -4.083
  184    HG   LEU  30           HG       LEU  30  49.721 -15.863  -6.640
  185   HD11  LEU  30          HD11      LEU  30  52.291 -16.361  -6.540
  186   HD12  LEU  30          HD12      LEU  30  51.375 -16.872  -7.958
  187   HD13  LEU  30          HD13      LEU  30  51.793 -18.044  -6.709
  188   HD21  LEU  30          HD21      LEU  30  49.106 -18.192  -7.257
  189   HD22  LEU  30          HD22      LEU  30  48.344 -17.690  -5.748
  190   HD23  LEU  30          HD23      LEU  30  49.751 -18.755  -5.715
  191    H    ILE  31           HN       ILE  31  52.805 -13.614  -4.122
  192    HA   ILE  31           HA       ILE  31  52.910 -14.229  -1.270
  193    HB   ILE  31           HB       ILE  31  54.996 -12.498  -2.432
  194   HG12  ILE  31          HG12      ILE  31  54.571 -13.882  -4.393
  195   HG13  ILE  31          HG11      ILE  31  56.052 -14.438  -3.619
  196   HG21  ILE  31          HG21      ILE  31  55.058 -15.122  -0.916
  197   HG22  ILE  31          HG22      ILE  31  55.108 -13.522  -0.178
  198   HG23  ILE  31          HG23      ILE  31  56.434 -14.059  -1.208
  199   HD11  ILE  31          HD11      ILE  31  54.070 -15.926  -2.353
  200   HD12  ILE  31          HD12      ILE  31  55.125 -16.497  -3.642
  201   HD13  ILE  31          HD13      ILE  31  53.530 -15.857  -4.031
  202    HA   PRO  32           HA       PRO  32  52.563  -9.509  -1.107
  203    HB2  PRO  32           HB2      PRO  32  51.955  -8.109  -3.353
  204    HB3  PRO  32           HB1      PRO  32  53.612  -8.589  -2.943
  205    HG2  PRO  32           HG2      PRO  32  51.806  -9.652  -5.002
  206    HG3  PRO  32           HG1      PRO  32  53.573  -9.668  -4.926
  207    HD2  PRO  32           HD2      PRO  32  51.789 -11.815  -4.292
  208    HD3  PRO  32           HD1      PRO  32  53.556 -11.796  -4.124
  209    H    ALA  33           HN       ALA  33  50.350 -11.651  -2.127
  210    HA   ALA  33           HA       ALA  33  48.056  -9.805  -2.064
  211    HB1  ALA  33           HB1      ALA  33  48.139 -12.755  -2.741
  212    HB2  ALA  33           HB2      ALA  33  48.165 -11.446  -3.920
  213    HB3  ALA  33           HB3      ALA  33  46.746 -11.686  -2.901
  214    H    ILE  34           HN       ILE  34  49.890 -11.338   0.110
  215    HA   ILE  34           HA       ILE  34  47.649 -11.629   1.985
  216    HB   ILE  34           HB       ILE  34  49.515 -13.663   2.630
  217   HG12  ILE  34          HG12      ILE  34  48.555 -13.793  -0.249
  218   HG13  ILE  34          HG11      ILE  34  50.225 -13.516   0.246
  219   HG21  ILE  34          HG21      ILE  34  46.747 -13.841   1.399
  220   HG22  ILE  34          HG22      ILE  34  47.075 -13.600   3.115
  221   HG23  ILE  34          HG23      ILE  34  47.554 -15.104   2.329
  222   HD11  ILE  34          HD11      ILE  34  50.534 -15.736   0.407
  223   HD12  ILE  34          HD12      ILE  34  48.848 -16.014  -0.032
  224   HD13  ILE  34          HD13      ILE  34  49.295 -15.802   1.661
  225    H    TYR  35           HN       TYR  35  51.138 -11.428   1.458
  226    HA   TYR  35           HA       TYR  35  51.706 -10.797   4.220
  227    HB2  TYR  35           HB2      TYR  35  53.338 -10.864   1.689
  228    HB3  TYR  35           HB1      TYR  35  53.998 -10.212   3.190
  229    HD1  TYR  35           HD1      TYR  35  52.275 -13.229   1.797
  230    HD2  TYR  35           HD2      TYR  35  54.894 -11.651   4.815
  231    HE1  TYR  35           HE1      TYR  35  52.739 -15.529   2.597
  232    HE2  TYR  35           HE2      TYR  35  55.358 -13.952   5.615
  233    HH   TYR  35           HH       TYR  35  55.279 -16.242   4.769
  234    H    MET  36           HN       MET  36  49.774  -9.092   2.813
  235    HA   MET  36           HA       MET  36  51.137  -6.509   3.239
  236    HB2  MET  36           HB2      MET  36  49.156  -7.067   1.019
  237    HB3  MET  36           HB1      MET  36  49.986  -5.542   1.334
  238    HG2  MET  36           HG2      MET  36  51.373  -8.153   0.660
  239    HG3  MET  36           HG1      MET  36  51.069  -6.850  -0.490
  240    HE1  MET  36           HE1      MET  36  54.943  -7.146   0.724
  241    HE2  MET  36           HE2      MET  36  53.834  -7.572  -0.577
  242    HE3  MET  36           HE3      MET  36  53.743  -8.423   0.962
  243    H    LEU  37           HN       LEU  37  47.904  -7.895   2.600
  244    HA   LEU  37           HA       LEU  37  46.654  -5.923   4.322
  245    HB2  LEU  37           HB2      LEU  37  44.583  -7.364   3.781
  246    HB3  LEU  37           HB1      LEU  37  45.338  -6.482   2.452
  247    HG   LEU  37           HG       LEU  37  46.487  -9.153   2.921
  248   HD11  LEU  37          HD11      LEU  37  44.560 -10.311   1.833
  249   HD12  LEU  37          HD12      LEU  37  43.615  -8.832   2.000
  250   HD13  LEU  37          HD13      LEU  37  44.164  -9.694   3.437
  251   HD21  LEU  37          HD21      LEU  37  46.850  -7.502   0.975
  252   HD22  LEU  37          HD22      LEU  37  45.254  -7.999   0.414
  253   HD23  LEU  37          HD23      LEU  37  46.553  -9.185   0.544
  254    H    VAL  38           HN       VAL  38  48.574  -8.094   5.310
  255    HA   VAL  38           HA       VAL  38  46.893  -8.920   7.580
  256    HB   VAL  38           HB       VAL  38  48.812 -10.787   6.170
  257   HG11  VAL  38          HG11      VAL  38  48.604 -11.301   8.520
  258   HG12  VAL  38          HG12      VAL  38  47.616 -12.464   7.636
  259   HG13  VAL  38          HG13      VAL  38  46.852 -11.105   8.460
  260   HG21  VAL  38          HG21      VAL  38  45.832 -10.387   5.967
  261   HG22  VAL  38          HG22      VAL  38  46.536 -11.983   5.703
  262   HG23  VAL  38          HG23      VAL  38  47.005 -10.630   4.673
  263    H    PHE  39           HN       PHE  39  50.197  -8.824   6.252
  264    HA   PHE  39           HA       PHE  39  51.671  -9.112   8.565
  265    HB2  PHE  39           HB2      PHE  39  52.394  -8.696   6.067
  266    HB3  PHE  39           HB1      PHE  39  52.487  -7.014   6.591
  267    HD1  PHE  39           HD1      PHE  39  53.657 -10.459   7.431
  268    HD2  PHE  39           HD2      PHE  39  54.321  -6.237   7.862
  269    HE1  PHE  39           HE1      PHE  39  55.842 -10.913   8.512
  270    HE2  PHE  39           HE2      PHE  39  56.507  -6.691   8.943
  271    HZ   PHE  39           HZ       PHE  39  57.266  -9.030   9.268
  272    H    LEU  40           HN       LEU  40  50.246  -6.129   7.258
  273    HA   LEU  40           HA       LEU  40  50.920  -4.743   9.769
  274    HB2  LEU  40           HB2      LEU  40  49.815  -3.505   7.246
  275    HB3  LEU  40           HB1      LEU  40  50.619  -2.694   8.590
  276    HG   LEU  40           HG       LEU  40  52.509  -4.539   7.864
  277   HD11  LEU  40          HD11      LEU  40  50.970  -5.069   5.879
  278   HD12  LEU  40          HD12      LEU  40  52.647  -4.686   5.491
  279   HD13  LEU  40          HD13      LEU  40  51.390  -3.469   5.267
  280   HD21  LEU  40          HD21      LEU  40  52.033  -1.680   7.007
  281   HD22  LEU  40          HD22      LEU  40  53.508  -2.540   6.569
  282   HD23  LEU  40          HD23      LEU  40  53.112  -2.277   8.267
  283    H    LEU  41           HN       LEU  41  49.087  -6.334  10.522
  284    HA   LEU  41           HA       LEU  41  46.601  -4.754  10.540
  285    HB2  LEU  41           HB2      LEU  41  46.902  -7.238   9.226
  286    HB3  LEU  41           HB1      LEU  41  45.987  -7.559  10.699
  287    HG   LEU  41           HG       LEU  41  45.330  -5.398   8.674
  288   HD11  LEU  41          HD11      LEU  41  44.183  -6.971   7.548
  289   HD12  LEU  41          HD12      LEU  41  43.291  -7.386   9.011
  290   HD13  LEU  41          HD13      LEU  41  44.813  -8.199   8.646
  291   HD21  LEU  41          HD21      LEU  41  43.149  -6.046  10.369
  292   HD22  LEU  41          HD22      LEU  41  44.062  -4.538  10.327
  293   HD23  LEU  41          HD23      LEU  41  44.552  -5.834  11.416
  294    H    GLY  42           HN       GLY  42  47.904  -7.780  11.926
  295    HA2  GLY  42           HA2      GLY  42  46.597  -7.678  14.372
  296    HA3  GLY  42           HA1      GLY  42  48.151  -8.462  14.113
  297    H    THR  43           HN       THR  43  48.838  -5.482  13.183
  298    HA   THR  43           HA       THR  43  49.262  -4.380  15.885
  299    HB   THR  43           HB       THR  43  51.362  -5.395  15.436
  300    HG1  THR  43           HG1      THR  43  52.136  -3.542  16.015
  301   HG21  THR  43          HG21      THR  43  52.331  -4.384  13.044
  302   HG22  THR  43          HG22      THR  43  50.647  -4.753  12.674
  303   HG23  THR  43          HG23      THR  43  51.710  -6.016  13.293
  304    H    THR  44           HN       THR  44  51.031  -2.896  13.430
  305    HA   THR  44           HA       THR  44  50.909  -0.667  12.765
  306    HB   THR  44           HB       THR  44  50.118  -1.887  10.834
  307    HG1  THR  44           HG1      THR  44  48.169   0.081  11.010
  308   HG21  THR  44          HG21      THR  44  47.442  -1.797  12.248
  309   HG22  THR  44          HG22      THR  44  48.354  -3.227  11.766
  310   HG23  THR  44          HG23      THR  44  47.621  -2.195  10.540
  311    H    GLY  45           HN       GLY  45  49.869  -0.867  15.368
  312    HA2  GLY  45           HA2      GLY  45  48.960   1.009  16.584
  313    HA3  GLY  45           HA1      GLY  45  47.817   1.256  15.267
  314    H    ASN  46           HN       ASN  46  48.515  -1.944  16.449
  315    HA   ASN  46           HA       ASN  46  45.973  -1.988  17.949
  316    HB2  ASN  46           HB2      ASN  46  46.871  -3.963  15.841
  317    HB3  ASN  46           HB1      ASN  46  45.539  -4.252  16.958
  318   HD21  ASN  46          HD21      ASN  46  46.571  -1.452  14.910
  319   HD22  ASN  46          HD22      ASN  46  45.030  -1.194  14.249
  320    H    GLY  47           HN       GLY  47  49.162  -3.339  17.365
  321    HA2  GLY  47           HA2      GLY  47  48.966  -5.099  19.692
  322    HA3  GLY  47           HA1      GLY  47  50.314  -5.008  18.563
  323    H    LEU  48           HN       LEU  48  49.616  -1.894  19.168
  324    HA   LEU  48           HA       LEU  48  51.171  -1.725  21.662
  325    HB2  LEU  48           HB2      LEU  48  52.425   0.218  20.561
  326    HB3  LEU  48           HB1      LEU  48  52.874  -1.409  20.045
  327    HG   LEU  48           HG       LEU  48  50.658  -0.175  18.521
  328   HD11  LEU  48          HD11      LEU  48  52.253   1.182  17.155
  329   HD12  LEU  48          HD12      LEU  48  53.503   0.865  18.357
  330   HD13  LEU  48          HD13      LEU  48  52.071   1.795  18.799
  331   HD21  LEU  48          HD21      LEU  48  51.834  -1.242  16.668
  332   HD22  LEU  48          HD22      LEU  48  51.734  -2.380  18.012
  333   HD23  LEU  48          HD23      LEU  48  53.245  -1.528  17.686
  334    H    VAL  49           HN       VAL  49  48.355  -1.362  21.162
  335    HA   VAL  49           HA       VAL  49  48.119   1.427  22.060
  336    HB   VAL  49           HB       VAL  49  46.233   0.245  20.017
  337   HG11  VAL  49          HG11      VAL  49  46.578   3.154  20.276
  338   HG12  VAL  49          HG12      VAL  49  45.958   2.383  21.736
  339   HG13  VAL  49          HG13      VAL  49  45.097   2.200  20.208
  340   HG21  VAL  49          HG21      VAL  49  47.418   1.859  18.445
  341   HG22  VAL  49          HG22      VAL  49  48.354   0.436  18.901
  342   HG23  VAL  49          HG23      VAL  49  48.686   1.990  19.665
  343    H    LEU  50           HN       LEU  50  46.260  -1.554  21.418
  344    HA   LEU  50           HA       LEU  50  44.687  -1.037  23.853
  345    HB2  LEU  50           HB2      LEU  50  43.144  -2.732  22.981
  346    HB3  LEU  50           HB1      LEU  50  43.429  -1.476  21.776
  347    HG   LEU  50           HG       LEU  50  45.458  -3.335  21.311
  348   HD11  LEU  50          HD11      LEU  50  44.361  -5.488  21.165
  349   HD12  LEU  50          HD12      LEU  50  42.822  -4.789  21.671
  350   HD13  LEU  50          HD13      LEU  50  44.162  -4.890  22.812
  351   HD21  LEU  50          HD21      LEU  50  42.748  -3.047  19.970
  352   HD22  LEU  50          HD22      LEU  50  44.173  -3.791  19.245
  353   HD23  LEU  50          HD23      LEU  50  44.174  -2.068  19.623
  354    H    TRP  51           HN       TRP  51  47.062  -3.167  22.478
  355    HA   TRP  51           HA       TRP  51  46.708  -5.315  24.345
  356    HB2  TRP  51           HB2      TRP  51  47.902  -6.238  22.672
  357    HB3  TRP  51           HB1      TRP  51  48.488  -4.669  22.116
  358    HD1  TRP  51           HD1      TRP  51  50.665  -3.664  23.348
  359    HE1  TRP  51           HE1      TRP  51  52.613  -4.849  24.553
  360    HE3  TRP  51           HE3      TRP  51  48.573  -8.261  24.099
  361    HZ2  TRP  51           HZ2      TRP  51  53.204  -7.408  25.685
  362    HZ3  TRP  51           HZ3      TRP  51  49.848 -10.052  25.242
  363    HH2  TRP  51           HH2      TRP  51  52.160  -9.631  26.035
  364    H    THR  52           HN       THR  52  48.417  -2.293  24.344
  365    HA   THR  52           HA       THR  52  50.315  -2.891  26.375
  366    HB   THR  52           HB       THR  52  50.450  -0.936  24.816
  367    HG1  THR  52           HG1      THR  52  50.374   0.132  27.386
  368   HG21  THR  52          HG21      THR  52  47.969  -0.393  25.114
  369   HG22  THR  52          HG22      THR  52  49.074   0.981  25.142
  370   HG23  THR  52          HG23      THR  52  48.421   0.344  26.651
  371    H    VAL  53           HN       VAL  53  47.006  -1.659  26.413
  372    HA   VAL  53           HA       VAL  53  46.737  -0.776  29.004
  373    HB   VAL  53           HB       VAL  53  44.744  -2.463  27.469
  374   HG11  VAL  53          HG11      VAL  53  43.161  -0.968  28.885
  375   HG12  VAL  53          HG12      VAL  53  44.571  -0.699  29.909
  376   HG13  VAL  53          HG13      VAL  53  43.944  -2.332  29.685
  377   HG21  VAL  53          HG21      VAL  53  45.861   0.031  26.826
  378   HG22  VAL  53          HG22      VAL  53  44.299   0.409  27.550
  379   HG23  VAL  53          HG23      VAL  53  44.386  -0.663  26.154
  380    H    PHE  54           HN       PHE  54  45.991  -4.112  27.959
  381    HA   PHE  54           HA       PHE  54  45.940  -5.098  30.649
  382    HB2  PHE  54           HB2      PHE  54  45.876  -6.394  27.931
  383    HB3  PHE  54           HB1      PHE  54  45.978  -7.359  29.405
  384    HD1  PHE  54           HD1      PHE  54  44.184  -7.163  31.152
  385    HD2  PHE  54           HD2      PHE  54  43.840  -5.314  27.290
  386    HE1  PHE  54           HE1      PHE  54  41.742  -6.900  31.496
  387    HE2  PHE  54           HE2      PHE  54  41.398  -5.050  27.635
  388    HZ   PHE  54           HZ       PHE  54  40.349  -5.844  29.738
  389    H    ARG  55           HN       ARG  55  48.267  -3.850  30.643
  390    HA   ARG  55           HA       ARG  55  50.166  -5.963  31.102
  391    HB2  ARG  55           HB2      ARG  55  50.338  -5.578  28.619
  392    HB3  ARG  55           HB1      ARG  55  50.863  -3.931  28.974
  393    HG2  ARG  55           HG2      ARG  55  52.961  -4.735  29.165
  394    HG3  ARG  55           HG1      ARG  55  52.435  -5.561  30.632
  395    HD2  ARG  55           HD2      ARG  55  51.655  -7.469  29.193
  396    HD3  ARG  55           HD1      ARG  55  52.389  -6.662  27.811
  397    HE   ARG  55           HE       ARG  55  54.378  -6.840  29.742
  398   HH11  ARG  55          HH21      ARG  55  52.312  -8.962  27.953
  399   HH12  ARG  55          HH22      ARG  55  53.443 -10.275  27.938
  400   HH21  ARG  55          HH11      ARG  55  55.865  -8.556  29.728
  401   HH22  ARG  55          HH12      ARG  55  55.454 -10.044  28.942
  402    H    LYS  56           HN       LYS  56  49.809  -2.460  30.561
  403    HA   LYS  56           HA       LYS  56  51.926  -1.658  32.246
  404    HB2  LYS  56           HB2      LYS  56  50.736   0.548  32.275
  405    HB3  LYS  56           HB1      LYS  56  50.990  -0.102  30.655
  406    HG2  LYS  56           HG2      LYS  56  48.774  -0.055  30.281
  407    HG3  LYS  56           HG1      LYS  56  48.517  -1.139  31.649
  408    HD2  LYS  56           HD2      LYS  56  48.508   0.785  33.186
  409    HD3  LYS  56           HD1      LYS  56  48.783   1.877  31.828
  410    HE2  LYS  56           HE2      LYS  56  46.656   1.118  30.804
  411    HE3  LYS  56           HE1      LYS  56  46.374   0.072  32.195
  412    HZ1  LYS  56           HZ1      LYS  56  46.918   2.505  33.290
  413    HZ2  LYS  56           HZ2      LYS  56  45.375   1.819  33.103
  414    HZ3  LYS  56           HZ3      LYS  56  45.978   2.892  31.932
  415    H    LYS  57           HN       LYS  57  48.864  -2.975  32.955
  416    HA   LYS  57           HA       LYS  57  48.276  -1.731  35.419
  417    HB2  LYS  57           HB2      LYS  57  47.657  -4.591  34.652
  418    HB3  LYS  57           HB1      LYS  57  46.792  -3.585  35.814
  419    HG2  LYS  57           HG2      LYS  57  46.608  -1.977  33.671
  420    HG3  LYS  57           HG1      LYS  57  46.722  -3.527  32.836
  421    HD2  LYS  57           HD2      LYS  57  44.419  -3.350  33.175
  422    HD3  LYS  57           HD1      LYS  57  44.914  -4.285  34.588
  423    HE2  LYS  57           HE2      LYS  57  43.712  -2.655  35.675
  424    HE3  LYS  57           HE1      LYS  57  45.260  -1.816  35.590
  425    HZ1  LYS  57           HZ1      LYS  57  43.571  -0.358  34.797
  426    HZ2  LYS  57           HZ2      LYS  57  42.965  -1.532  33.730
  427    HZ3  LYS  57           HZ3      LYS  57  44.495  -0.844  33.460
  428    H    GLY  58           HN       GLY  58  50.379  -4.420  34.560
  429    HA2  GLY  58           HA2      GLY  58  52.254  -4.256  36.478
  430    HA3  GLY  58           HA1      GLY  58  50.949  -5.072  37.336
  431    H    HIS  59           HN       HIS  59  52.452  -5.292  34.102
  432    HA   HIS  59           HA       HIS  59  53.130  -7.099  32.858
  433    HB2  HIS  59           HB2      HIS  59  53.811  -7.899  35.668
  434    HB3  HIS  59           HB1      HIS  59  54.035  -9.049  34.351
  435    HD2  HIS  59           HD2      HIS  59  55.096  -5.220  34.816
  436    HE1  HIS  59           HE1      HIS  59  58.216  -7.330  32.909
  437    HE2  HIS  59           HE2      HIS  59  57.497  -5.063  33.801
  438    H    HIS  60           HN       HIS  60  51.954  -8.976  35.617
  439    HA   HIS  60           HA       HIS  60  50.098 -10.360  33.802
  440    HB2  HIS  60           HB2      HIS  60  50.843 -11.177  36.611
  441    HB3  HIS  60           HB1      HIS  60  50.130 -12.173  35.343
  442    HD2  HIS  60           HD2      HIS  60  52.382 -11.089  32.993
  443    HE1  HIS  60           HE1      HIS  60  55.115 -13.059  35.537
  444    HE2  HIS  60           HE2      HIS  60  54.776 -12.109  33.206
  445    H    HIS  61           HN       HIS  61  49.963  -9.749  37.303
  446    HA   HIS  61           HA       HIS  61  47.568  -8.138  37.052
  447    HB2  HIS  61           HB2      HIS  61  47.484 -10.991  37.986
  448    HB3  HIS  61           HB1      HIS  61  46.352  -9.807  38.640
  449    HD2  HIS  61           HD2      HIS  61  46.025 -12.287  36.023
  450    HE1  HIS  61           HE1      HIS  61  44.334  -8.877  34.196
  451    HE2  HIS  61           HE2      HIS  61  44.550 -11.405  34.057
  452    H    HIS  62           HN       HIS  62  48.239  -6.539  38.359
  453    HA   HIS  62           HA       HIS  62  49.923  -6.866  40.608
  454    HB2  HIS  62           HB2      HIS  62  49.482  -4.732  39.277
  455    HB3  HIS  62           HB1      HIS  62  47.991  -4.582  40.208
  456    HD2  HIS  62           HD2      HIS  62  51.747  -3.839  40.623
  457    HE1  HIS  62           HE1      HIS  62  50.021  -3.488  44.460
  458    HE2  HIS  62           HE2      HIS  62  52.114  -3.058  43.088
  459    H    HIS  63           HN       HIS  63  46.560  -7.371  40.165
  460    HA   HIS  63           HA       HIS  63  46.241  -7.797  43.062
  461    HB2  HIS  63           HB2      HIS  63  45.150  -5.629  41.995
  462    HB3  HIS  63           HB1      HIS  63  43.923  -6.785  41.478
  463    HD2  HIS  63           HD2      HIS  63  45.763  -6.582  45.015
  464    HE1  HIS  63           HE1      HIS  63  41.583  -6.588  45.609
  465    HE2  HIS  63           HE2      HIS  63  43.836  -6.581  46.778
  466    H    HIS  64           HN       HIS  64  43.409  -8.393  42.521
  467    HA   HIS  64           HA       HIS  64  43.626 -10.894  40.979
  468    HB2  HIS  64           HB2      HIS  64  42.838 -10.583  43.857
  469    HB3  HIS  64           HB1      HIS  64  42.129 -11.874  42.887
  470    HD2  HIS  64           HD2      HIS  64  44.811 -11.953  45.259
  471    HE1  HIS  64           HE1      HIS  64  46.593 -13.903  41.965
  472    HE2  HIS  64           HE2      HIS  64  46.781 -13.471  44.461
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  63.236  -3.987  20.855
    2    H2   MET   1           HT2      MET   1  62.878  -2.326  20.871
    3    H3   MET   1           HT3      MET   1  63.652  -3.045  22.202
    4    HA   MET   1           HA       MET   1  65.015  -1.689  20.465
    5    HB2  MET   1           HB2      MET   1  66.096  -4.388  21.259
    6    HB3  MET   1           HB1      MET   1  66.930  -2.835  21.216
    7    HG2  MET   1           HG2      MET   1  65.210  -2.111  23.026
    8    HG3  MET   1           HG1      MET   1  64.932  -3.841  23.234
    9    HE1  MET   1           HE1      MET   1  66.581  -5.528  23.651
   10    HE2  MET   1           HE2      MET   1  66.148  -4.938  25.254
   11    HE3  MET   1           HE3      MET   1  67.832  -5.298  24.881
   12    H    GLU   2           HN       GLU   2  66.778  -2.618  18.866
   13    HA   GLU   2           HA       GLU   2  65.350  -3.541  16.560
   14    HB2  GLU   2           HB2      GLU   2  67.598  -3.505  15.482
   15    HB3  GLU   2           HB1      GLU   2  67.198  -1.990  16.294
   16    HG2  GLU   2           HG2      GLU   2  68.995  -2.187  17.629
   17    HG3  GLU   2           HG1      GLU   2  68.451  -3.772  18.174
   18    H    GLU   3           HN       GLU   3  65.120  -5.419  18.646
   19    HA   GLU   3           HA       GLU   3  66.967  -7.595  18.144
   20    HB2  GLU   3           HB2      GLU   3  65.183  -8.812  19.625
   21    HB3  GLU   3           HB1      GLU   3  66.242  -7.606  20.355
   22    HG2  GLU   3           HG2      GLU   3  64.551  -5.941  20.323
   23    HG3  GLU   3           HG1      GLU   3  63.551  -6.867  19.205
   24    H    GLY   4           HN       GLY   4  64.107  -6.417  16.737
   25    HA2  GLY   4           HA2      GLY   4  63.082  -8.954  15.806
   26    HA3  GLY   4           HA1      GLY   4  62.520  -7.356  15.325
   27    H    GLY   5           HN       GLY   5  63.062  -6.636  13.354
   28    HA2  GLY   5           HA2      GLY   5  65.501  -7.029  12.033
   29    HA3  GLY   5           HA1      GLY   5  64.393  -8.284  11.485
   30    H    ASP   6           HN       ASP   6  62.325  -7.591  10.566
   31    HA   ASP   6           HA       ASP   6  62.646  -5.076   9.068
   32    HB2  ASP   6           HB2      ASP   6  60.719  -6.119   7.700
   33    HB3  ASP   6           HB1      ASP   6  62.321  -6.841   7.552
   34    H    PHE   7           HN       PHE   7  59.716  -6.872   9.951
   35    HA   PHE   7           HA       PHE   7  57.719  -6.167  10.840
   36    HB2  PHE   7           HB2      PHE   7  59.716  -4.589  12.459
   37    HB3  PHE   7           HB1      PHE   7  57.981  -4.502  12.769
   38    HD1  PHE   7           HD1      PHE   7  60.877  -6.832  12.565
   39    HD2  PHE   7           HD2      PHE   7  56.835  -6.257  13.900
   40    HE1  PHE   7           HE1      PHE   7  60.997  -8.954  13.842
   41    HE2  PHE   7           HE2      PHE   7  56.954  -8.379  15.176
   42    HZ   PHE   7           HZ       PHE   7  59.034  -9.729  15.147
   43    H    ASP   8           HN       ASP   8  58.369  -4.976   8.404
   44    HA   ASP   8           HA       ASP   8  57.824  -3.210   7.042
   45    HB2  ASP   8           HB2      ASP   8  55.635  -3.770   8.373
   46    HB3  ASP   8           HB1      ASP   8  55.943  -2.218   9.150
   47    H    ASN   9           HN       ASN   9  60.114  -2.753   8.423
   48    HA   ASN   9           HA       ASN   9  59.957   0.148   8.922
   49    HB2  ASN   9           HB2      ASN   9  60.390  -1.739  10.935
   50    HB3  ASN   9           HB1      ASN   9  61.996  -1.124  10.548
   51   HD21  ASN   9          HD21      ASN   9  58.715  -0.075  11.524
   52   HD22  ASN   9          HD22      ASN   9  59.218   1.405  12.184
   53    H    TYR  10           HN       TYR  10  61.067   0.965   7.256
   54    HA   TYR  10           HA       TYR  10  62.698   1.251   5.654
   55    HB2  TYR  10           HB2      TYR  10  63.808   1.633   8.021
   56    HB3  TYR  10           HB1      TYR  10  64.710   0.182   7.586
   57    HD1  TYR  10           HD2      TYR  10  63.760   3.573   6.337
   58    HD2  TYR  10           HD1      TYR  10  66.521   0.292   6.075
   59    HE1  TYR  10           HE2      TYR  10  65.224   4.923   4.859
   60    HE2  TYR  10           HE1      TYR  10  67.985   1.642   4.597
   61    HH   TYR  10           HH       TYR  10  68.407   4.080   4.161
   62    H    TYR  11           HN       TYR  11  61.581  -1.616   6.292
   63    HA   TYR  11           HA       TYR  11  63.425  -2.966   4.433
   64    HB2  TYR  11           HB2      TYR  11  62.942  -3.667   7.215
   65    HB3  TYR  11           HB1      TYR  11  62.529  -4.990   6.123
   66    HD1  TYR  11           HD2      TYR  11  65.231  -2.686   7.187
   67    HD2  TYR  11           HD1      TYR  11  64.214  -6.144   4.850
   68    HE1  TYR  11           HE2      TYR  11  67.641  -3.184   6.874
   69    HE2  TYR  11           HE1      TYR  11  66.623  -6.641   4.537
   70    HH   TYR  11           HH       TYR  11  69.074  -4.401   5.290
   71    H    GLY  12           HN       GLY  12  61.993  -2.849   2.734
   72    HA2  GLY  12           HA2      GLY  12  60.354  -4.655   1.881
   73    HA3  GLY  12           HA1      GLY  12  59.300  -3.984   3.122
   74    H    ALA  13           HN       ALA  13  59.564  -1.339   2.954
   75    HA   ALA  13           HA       ALA  13  58.588  -0.746   0.240
   76    HB1  ALA  13           HB1      ALA  13  58.291   0.838   2.803
   77    HB2  ALA  13           HB2      ALA  13  57.069  -0.230   2.115
   78    HB3  ALA  13           HB3      ALA  13  57.550   1.230   1.252
   79    H    ASP  14           HN       ASP  14  61.468  -0.888   1.275
   80    HA   ASP  14           HA       ASP  14  62.317   1.882   0.766
   81    HB2  ASP  14           HB2      ASP  14  64.229   1.420   1.937
   82    HB3  ASP  14           HB1      ASP  14  63.175   0.217   2.676
   83    H    ASN  15           HN       ASN  15  61.661  -0.827  -0.978
   84    HA   ASN  15           HA       ASN  15  63.412   0.047  -3.161
   85    HB2  ASN  15           HB2      ASN  15  63.844  -2.453  -3.631
   86    HB3  ASN  15           HB1      ASN  15  64.772  -1.688  -2.342
   87   HD21  ASN  15          HD21      ASN  15  63.412  -4.550  -2.896
   88   HD22  ASN  15          HD22      ASN  15  62.780  -4.920  -1.364
   89    H    GLN  16           HN       GLN  16  61.132   0.840  -3.622
   90    HA   GLN  16           HA       GLN  16  59.249  -1.182  -4.520
   91    HB2  GLN  16           HB2      GLN  16  59.072   1.806  -4.928
   92    HB3  GLN  16           HB1      GLN  16  57.755   0.633  -4.938
   93    HG2  GLN  16           HG2      GLN  16  57.482   1.153  -2.755
   94    HG3  GLN  16           HG1      GLN  16  58.942   0.205  -2.475
   95   HE21  GLN  16          HE21      GLN  16  60.789   1.324  -1.738
   96   HE22  GLN  16          HE22      GLN  16  60.878   3.014  -1.601
   97    H    SER  17           HN       SER  17  61.367   1.271  -5.954
   98    HA   SER  17           HA       SER  17  60.633   0.413  -8.650
   99    HB2  SER  17           HB2      SER  17  62.419   2.230  -9.207
  100    HB3  SER  17           HB1      SER  17  60.849   2.734  -8.588
  101    HG   SER  17           HG       SER  17  62.147   3.737  -7.219
  102    H    GLU  18           HN       GLU  18  62.382  -1.036  -6.479
  103    HA   GLU  18           HA       GLU  18  64.406  -1.933  -8.421
  104    HB2  GLU  18           HB2      GLU  18  65.611  -0.407  -6.990
  105    HB3  GLU  18           HB1      GLU  18  64.934  -1.158  -5.545
  106    HG2  GLU  18           HG2      GLU  18  66.240  -3.070  -5.757
  107    HG3  GLU  18           HG1      GLU  18  66.439  -2.864  -7.496
  108    H    CYS  19           HN       CYS  19  63.328  -3.857  -8.775
  109    HA   CYS  19           HA       CYS  19  63.406  -5.756  -6.528
  110    HB2  CYS  19           HB2      CYS  19  61.202  -6.693  -7.497
  111    HB3  CYS  19           HB1      CYS  19  61.113  -5.237  -6.507
  112    HG   CYS  19           HG       CYS  19  59.795  -4.660  -8.650
  113    H    GLU  20           HN       GLU  20  64.600  -5.026  -9.401
  114    HA   GLU  20           HA       GLU  20  64.209  -7.423 -10.917
  115    HB2  GLU  20           HB2      GLU  20  66.066  -6.570 -12.301
  116    HB3  GLU  20           HB1      GLU  20  64.857  -5.322 -11.998
  117    HG2  GLU  20           HG2      GLU  20  66.625  -5.120  -9.840
  118    HG3  GLU  20           HG1      GLU  20  67.666  -5.387 -11.237
  119    H    TYR  21           HN       TYR  21  65.392  -7.335  -8.016
  120    HA   TYR  21           HA       TYR  21  67.989  -8.538  -8.295
  121    HB2  TYR  21           HB2      TYR  21  66.523  -7.404  -6.207
  122    HB3  TYR  21           HB1      TYR  21  66.653  -9.109  -5.781
  123    HD1  TYR  21           HD2      TYR  21  68.519  -6.006  -6.454
  124    HD2  TYR  21           HD1      TYR  21  68.826 -10.158  -5.398
  125    HE1  TYR  21           HE2      TYR  21  70.883  -5.662  -5.789
  126    HE2  TYR  21           HE1      TYR  21  71.191  -9.814  -4.734
  127    HH   TYR  21           HH       TYR  21  72.552  -6.721  -4.327
  128    H    THR  22           HN       THR  22  65.594  -9.765  -9.659
  129    HA   THR  22           HA       THR  22  65.089 -11.930 -10.291
  130    HB   THR  22           HB       THR  22  66.633 -13.147  -8.054
  131    HG1  THR  22           HG1      THR  22  68.217 -11.835  -8.534
  132   HG21  THR  22          HG21      THR  22  66.534 -13.667 -11.038
  133   HG22  THR  22          HG22      THR  22  65.505 -14.466  -9.849
  134   HG23  THR  22          HG23      THR  22  67.251 -14.715  -9.813
  135    H    ASP  23           HN       ASP  23  63.550 -10.374  -8.437
  136    HA   ASP  23           HA       ASP  23  62.160 -12.571  -7.053
  137    HB2  ASP  23           HB2      ASP  23  63.121  -9.984  -5.863
  138    HB3  ASP  23           HB1      ASP  23  61.691 -10.789  -5.217
  139    H    TRP  24           HN       TRP  24  61.836 -10.784  -9.526
  140    HA   TRP  24           HA       TRP  24  59.274  -9.497  -8.869
  141    HB2  TRP  24           HB2      TRP  24  59.491  -8.298 -10.916
  142    HB3  TRP  24           HB1      TRP  24  61.090  -8.281 -10.172
  143    HD1  TRP  24           HD1      TRP  24  62.753 -10.379 -11.040
  144    HE1  TRP  24           HE1      TRP  24  63.058 -11.242 -13.450
  145    HE3  TRP  24           HE3      TRP  24  58.470  -8.588 -13.169
  146    HZ2  TRP  24           HZ2      TRP  24  61.670 -11.181 -15.951
  147    HZ3  TRP  24           HZ3      TRP  24  57.988  -9.005 -15.564
  148    HH2  TRP  24           HH2      TRP  24  59.581 -10.299 -16.956
  149    H    LYS  25           HN       LYS  25  60.166 -12.488  -9.565
  150    HA   LYS  25           HA       LYS  25  57.705 -13.030 -11.081
  151    HB2  LYS  25           HB2      LYS  25  59.162 -14.889 -12.236
  152    HB3  LYS  25           HB1      LYS  25  59.166 -13.244 -12.869
  153    HG2  LYS  25           HG2      LYS  25  61.464 -14.162 -12.657
  154    HG3  LYS  25           HG1      LYS  25  61.226 -12.746 -11.634
  155    HD2  LYS  25           HD2      LYS  25  61.064 -14.054  -9.666
  156    HD3  LYS  25           HD1      LYS  25  60.792 -15.540 -10.577
  157    HE2  LYS  25           HE2      LYS  25  63.156 -15.140  -9.578
  158    HE3  LYS  25           HE1      LYS  25  63.044 -15.683 -11.252
  159    HZ1  LYS  25           HZ1      LYS  25  63.601 -12.968 -10.232
  160    HZ2  LYS  25           HZ2      LYS  25  63.043 -13.217 -11.817
  161    HZ3  LYS  25           HZ3      LYS  25  64.515 -13.899 -11.314
  162    H    SER  26           HN       SER  26  59.061 -13.389  -8.273
  163    HA   SER  26           HA       SER  26  58.026 -16.121  -7.899
  164    HB2  SER  26           HB2      SER  26  60.684 -15.072  -6.911
  165    HB3  SER  26           HB1      SER  26  59.926 -16.540  -6.302
  166    HG   SER  26           HG       SER  26  59.842 -17.174  -8.599
  167    H    SER  27           HN       SER  27  59.763 -14.246  -5.508
  168    HA   SER  27           HA       SER  27  57.514 -14.319  -3.714
  169    HB2  SER  27           HB2      SER  27  59.001 -13.674  -2.085
  170    HB3  SER  27           HB1      SER  27  60.139 -14.329  -3.259
  171    HG   SER  27           HG       SER  27  60.167 -12.096  -4.115
  172    H    GLY  28           HN       GLY  28  57.276 -12.781  -6.260
  173    HA2  GLY  28           HA2      GLY  28  56.357 -10.254  -5.049
  174    HA3  GLY  28           HA1      GLY  28  57.334 -10.212  -6.513
  175    H    ALA  29           HN       ALA  29  55.023 -12.762  -5.923
  176    HA   ALA  29           HA       ALA  29  53.102 -11.517  -7.776
  177    HB1  ALA  29           HB1      ALA  29  54.113 -12.882  -9.339
  178    HB2  ALA  29           HB2      ALA  29  52.910 -13.995  -8.688
  179    HB3  ALA  29           HB3      ALA  29  54.583 -14.087  -8.140
  180    H    LEU  30           HN       LEU  30  53.789 -13.352  -4.997
  181    HA   LEU  30           HA       LEU  30  50.906 -13.763  -4.544
  182    HB2  LEU  30           HB2      LEU  30  51.686 -15.927  -3.310
  183    HB3  LEU  30           HB1      LEU  30  51.489 -15.960  -5.062
  184    HG   LEU  30           HG       LEU  30  54.153 -15.098  -4.082
  185   HD11  LEU  30          HD11      LEU  30  53.137 -17.942  -3.811
  186   HD12  LEU  30          HD12      LEU  30  53.742 -16.909  -2.516
  187   HD13  LEU  30          HD13      LEU  30  54.842 -17.491  -3.765
  188   HD21  LEU  30          HD21      LEU  30  53.280 -17.114  -6.175
  189   HD22  LEU  30          HD22      LEU  30  54.879 -16.386  -6.014
  190   HD23  LEU  30          HD23      LEU  30  53.502 -15.393  -6.491
  191    H    ILE  31           HN       ILE  31  53.871 -12.586  -3.498
  192    HA   ILE  31           HA       ILE  31  53.436 -12.885  -0.664
  193    HB   ILE  31           HB       ILE  31  55.550 -11.864  -2.411
  194   HG12  ILE  31          HG12      ILE  31  56.937 -12.755  -0.595
  195   HG13  ILE  31          HG11      ILE  31  55.512 -12.911   0.432
  196   HG21  ILE  31          HG21      ILE  31  55.078  -9.700  -1.412
  197   HG22  ILE  31          HG22      ILE  31  56.508 -10.368  -0.634
  198   HG23  ILE  31          HG23      ILE  31  54.957 -10.422   0.196
  199   HD11  ILE  31          HD11      ILE  31  55.222 -14.187  -2.203
  200   HD12  ILE  31          HD12      ILE  31  54.831 -14.813  -0.601
  201   HD13  ILE  31          HD13      ILE  31  56.488 -14.898  -1.201
  202    HA   PRO  32           HA       PRO  32  52.019  -8.379  -1.003
  203    HB2  PRO  32           HB2      PRO  32  51.577  -7.261  -3.434
  204    HB3  PRO  32           HB1      PRO  32  53.188  -7.328  -2.695
  205    HG2  PRO  32           HG2      PRO  32  52.077  -8.888  -4.930
  206    HG3  PRO  32           HG1      PRO  32  53.755  -8.466  -4.566
  207    HD2  PRO  32           HD2      PRO  32  52.455 -10.954  -4.050
  208    HD3  PRO  32           HD1      PRO  32  54.095 -10.477  -3.561
  209    H    ALA  33           HN       ALA  33  50.524 -10.971  -1.621
  210    HA   ALA  33           HA       ALA  33  47.892  -9.726  -2.139
  211    HB1  ALA  33           HB1      ALA  33  47.922 -10.916  -4.072
  212    HB2  ALA  33           HB2      ALA  33  47.517 -12.272  -3.020
  213    HB3  ALA  33           HB3      ALA  33  49.191 -12.000  -3.503
  214    H    ILE  34           HN       ILE  34  49.741 -11.034   0.140
  215    HA   ILE  34           HA       ILE  34  47.433 -12.094   1.603
  216    HB   ILE  34           HB       ILE  34  49.545 -13.783   2.333
  217   HG12  ILE  34          HG12      ILE  34  49.255 -13.646  -0.685
  218   HG13  ILE  34          HG11      ILE  34  50.658 -13.061   0.208
  219   HG21  ILE  34          HG21      ILE  34  48.093 -15.519   1.351
  220   HG22  ILE  34          HG22      ILE  34  47.194 -14.278   0.478
  221   HG23  ILE  34          HG23      ILE  34  47.136 -14.333   2.240
  222   HD11  ILE  34          HD11      ILE  34  50.050 -15.719   1.094
  223   HD12  ILE  34          HD12      ILE  34  51.506 -15.141   0.284
  224   HD13  ILE  34          HD13      ILE  34  50.137 -15.716  -0.667
  225    H    TYR  35           HN       TYR  35  50.842 -11.137   1.642
  226    HA   TYR  35           HA       TYR  35  50.926 -10.795   4.500
  227    HB2  TYR  35           HB2      TYR  35  52.788 -10.100   2.237
  228    HB3  TYR  35           HB1      TYR  35  53.104  -9.556   3.884
  229    HD1  TYR  35           HD2      TYR  35  52.573 -12.562   1.761
  230    HD2  TYR  35           HD1      TYR  35  53.895 -11.060   5.562
  231    HE1  TYR  35           HE2      TYR  35  53.495 -14.795   2.323
  232    HE2  TYR  35           HE1      TYR  35  54.815 -13.292   6.125
  233    HH   TYR  35           HH       TYR  35  55.677 -15.401   4.442
  234    H    MET  36           HN       MET  36  48.855  -9.336   2.908
  235    HA   MET  36           HA       MET  36  49.421  -6.656   3.998
  236    HB2  MET  36           HB2      MET  36  48.151  -7.128   1.292
  237    HB3  MET  36           HB1      MET  36  48.576  -5.576   2.016
  238    HG2  MET  36           HG2      MET  36  50.551  -7.763   1.300
  239    HG3  MET  36           HG1      MET  36  50.269  -6.300   0.355
  240    HE1  MET  36           HE1      MET  36  53.781  -6.253   2.373
  241    HE2  MET  36           HE2      MET  36  53.047  -6.571   0.804
  242    HE3  MET  36           HE3      MET  36  52.843  -7.731   2.115
  243    H    LEU  37           HN       LEU  37  46.929  -8.726   2.508
  244    HA   LEU  37           HA       LEU  37  44.741  -7.327   3.693
  245    HB2  LEU  37           HB2      LEU  37  44.932 -10.095   2.483
  246    HB3  LEU  37           HB1      LEU  37  43.422  -9.325   2.974
  247    HG   LEU  37           HG       LEU  37  45.242  -7.772   1.190
  248   HD11  LEU  37          HD11      LEU  37  43.526 -10.104   0.285
  249   HD12  LEU  37          HD12      LEU  37  45.274  -9.954   0.109
  250   HD13  LEU  37          HD13      LEU  37  44.202  -8.887  -0.798
  251   HD21  LEU  37          HD21      LEU  37  42.263  -8.153   0.953
  252   HD22  LEU  37          HD22      LEU  37  43.237  -6.748   0.516
  253   HD23  LEU  37          HD23      LEU  37  42.926  -7.113   2.213
  254    H    VAL  38           HN       VAL  38  47.081  -8.866   5.238
  255    HA   VAL  38           HA       VAL  38  45.294  -9.717   7.416
  256    HB   VAL  38           HB       VAL  38  47.753 -11.303   6.693
  257   HG11  VAL  38          HG11      VAL  38  45.254 -12.138   8.176
  258   HG12  VAL  38          HG12      VAL  38  46.627 -11.393   8.995
  259   HG13  VAL  38          HG13      VAL  38  46.827 -12.935   8.163
  260   HG21  VAL  38          HG21      VAL  38  46.296 -11.431   4.753
  261   HG22  VAL  38          HG22      VAL  38  44.888 -11.704   5.778
  262   HG23  VAL  38          HG23      VAL  38  46.143 -12.936   5.658
  263    H    PHE  39           HN       PHE  39  48.725  -9.265   6.538
  264    HA   PHE  39           HA       PHE  39  49.888  -8.894   8.965
  265    HB2  PHE  39           HB2      PHE  39  50.583  -8.320   6.335
  266    HB3  PHE  39           HB1      PHE  39  50.704  -6.765   7.154
  267    HD1  PHE  39           HD1      PHE  39  51.723 -10.349   7.439
  268    HD2  PHE  39           HD2      PHE  39  52.542  -6.280   8.551
  269    HE1  PHE  39           HE1      PHE  39  53.858 -11.062   8.480
  270    HE2  PHE  39           HE2      PHE  39  54.677  -6.995   9.591
  271    HZ   PHE  39           HZ       PHE  39  55.335  -9.385   9.555
  272    H    LEU  40           HN       LEU  40  48.737  -6.076   7.092
  273    HA   LEU  40           HA       LEU  40  48.476  -4.538   9.547
  274    HB2  LEU  40           HB2      LEU  40  48.335  -3.933   6.615
  275    HB3  LEU  40           HB1      LEU  40  47.591  -2.811   7.753
  276    HG   LEU  40           HG       LEU  40  49.738  -2.669   8.991
  277   HD11  LEU  40          HD11      LEU  40  50.690  -4.463   6.744
  278   HD12  LEU  40          HD12      LEU  40  50.692  -4.830   8.470
  279   HD13  LEU  40          HD13      LEU  40  51.772  -3.592   7.831
  280   HD21  LEU  40          HD21      LEU  40  51.019  -1.794   6.739
  281   HD22  LEU  40          HD22      LEU  40  49.771  -0.875   7.582
  282   HD23  LEU  40          HD23      LEU  40  49.349  -1.852   6.176
  283    H    LEU  41           HN       LEU  41  46.790  -6.318  10.130
  284    HA   LEU  41           HA       LEU  41  44.203  -5.085   9.955
  285    HB2  LEU  41           HB2      LEU  41  44.142  -6.207   7.806
  286    HB3  LEU  41           HB1      LEU  41  44.686  -7.717   8.534
  287    HG   LEU  41           HG       LEU  41  42.617  -7.912   9.803
  288   HD11  LEU  41          HD11      LEU  41  41.987  -5.735  10.406
  289   HD12  LEU  41          HD12      LEU  41  40.796  -6.137   9.168
  290   HD13  LEU  41          HD13      LEU  41  42.180  -5.121   8.764
  291   HD21  LEU  41          HD21      LEU  41  42.198  -7.195   6.889
  292   HD22  LEU  41          HD22      LEU  41  40.980  -7.985   7.889
  293   HD23  LEU  41          HD23      LEU  41  42.510  -8.798   7.556
  294    H    GLY  42           HN       GLY  42  46.109  -7.950  10.770
  295    HA2  GLY  42           HA2      GLY  42  44.281  -8.608  12.967
  296    HA3  GLY  42           HA1      GLY  42  45.624  -9.596  12.400
  297    H    THR  43           HN       THR  43  46.292  -6.256  12.787
  298    HA   THR  43           HA       THR  43  46.976  -6.213  15.540
  299    HB   THR  43           HB       THR  43  48.698  -7.821  14.854
  300    HG1  THR  43           HG1      THR  43  49.426  -5.196  15.544
  301   HG21  THR  43          HG21      THR  43  50.196  -7.455  13.104
  302   HG22  THR  43          HG22      THR  43  49.952  -5.709  13.127
  303   HG23  THR  43          HG23      THR  43  48.711  -6.764  12.450
  304    H    THR  44           HN       THR  44  48.147  -5.045  12.375
  305    HA   THR  44           HA       THR  44  48.764  -2.917  11.705
  306    HB   THR  44           HB       THR  44  46.896  -1.648  11.448
  307    HG1  THR  44           HG1      THR  44  45.436  -1.448  13.394
  308   HG21  THR  44          HG21      THR  44  44.923  -2.951  11.520
  309   HG22  THR  44          HG22      THR  44  45.465  -3.843  12.942
  310   HG23  THR  44          HG23      THR  44  46.221  -4.136  11.376
  311    H    GLY  45           HN       GLY  45  49.603  -3.831  14.493
  312    HA2  GLY  45           HA2      GLY  45  51.281  -2.652  15.749
  313    HA3  GLY  45           HA1      GLY  45  50.405  -1.155  15.442
  314    H    ASN  46           HN       ASN  46  47.793  -2.322  16.038
  315    HA   ASN  46           HA       ASN  46  47.698  -1.791  18.825
  316    HB2  ASN  46           HB2      ASN  46  45.366  -2.246  18.672
  317    HB3  ASN  46           HB1      ASN  46  45.816  -1.499  17.139
  318   HD21  ASN  46          HD21      ASN  46  45.580  -4.805  18.583
  319   HD22  ASN  46          HD22      ASN  46  45.001  -5.533  17.163
  320    H    GLY  47           HN       GLY  47  48.757  -4.492  17.183
  321    HA2  GLY  47           HA2      GLY  47  47.819  -6.453  19.133
  322    HA3  GLY  47           HA1      GLY  47  48.797  -6.783  17.705
  323    H    LEU  48           HN       LEU  48  50.445  -4.322  18.722
  324    HA   LEU  48           HA       LEU  48  51.803  -5.496  21.021
  325    HB2  LEU  48           HB2      LEU  48  54.026  -5.276  19.756
  326    HB3  LEU  48           HB1      LEU  48  53.011  -6.661  19.357
  327    HG   LEU  48           HG       LEU  48  52.395  -4.260  17.778
  328   HD11  LEU  48          HD11      LEU  48  55.108  -5.600  17.570
  329   HD12  LEU  48          HD12      LEU  48  54.793  -3.899  17.911
  330   HD13  LEU  48          HD13      LEU  48  54.420  -4.563  16.320
  331   HD21  LEU  48          HD21      LEU  48  52.357  -5.910  15.976
  332   HD22  LEU  48          HD22      LEU  48  51.513  -6.567  17.378
  333   HD23  LEU  48          HD23      LEU  48  53.154  -7.097  17.009
  334    H    VAL  49           HN       VAL  49  50.355  -3.165  20.944
  335    HA   VAL  49           HA       VAL  49  52.479  -1.139  21.253
  336    HB   VAL  49           HB       VAL  49  49.838  -0.840  19.822
  337   HG11  VAL  49          HG11      VAL  49  49.747   1.102  21.075
  338   HG12  VAL  49          HG12      VAL  49  50.783   1.653  19.758
  339   HG13  VAL  49          HG13      VAL  49  51.495   1.167  21.296
  340   HG21  VAL  49          HG21      VAL  49  51.134  -0.307  17.963
  341   HG22  VAL  49          HG22      VAL  49  52.190  -1.470  18.765
  342   HG23  VAL  49          HG23      VAL  49  52.488   0.259  18.941
  343    H    LEU  50           HN       LEU  50  48.956  -1.445  21.745
  344    HA   LEU  50           HA       LEU  50  48.810   0.163  24.025
  345    HB2  LEU  50           HB2      LEU  50  46.635  -0.838  24.403
  346    HB3  LEU  50           HB1      LEU  50  46.861  -0.609  22.668
  347    HG   LEU  50           HG       LEU  50  47.936  -3.123  23.098
  348   HD11  LEU  50          HD11      LEU  50  46.266  -4.344  24.416
  349   HD12  LEU  50          HD12      LEU  50  45.401  -2.843  24.744
  350   HD13  LEU  50          HD13      LEU  50  47.016  -3.094  25.409
  351   HD21  LEU  50          HD21      LEU  50  45.097  -2.369  22.327
  352   HD22  LEU  50          HD22      LEU  50  45.874  -3.912  21.972
  353   HD23  LEU  50          HD23      LEU  50  46.479  -2.429  21.234
  354    H    TRP  51           HN       TRP  51  50.434  -2.713  23.686
  355    HA   TRP  51           HA       TRP  51  49.884  -4.042  26.125
  356    HB2  TRP  51           HB2      TRP  51  51.907  -4.192  23.997
  357    HB3  TRP  51           HB1      TRP  51  52.500  -4.667  25.588
  358    HD1  TRP  51           HD1      TRP  51  49.636  -5.473  23.138
  359    HE1  TRP  51           HE1      TRP  51  48.875  -7.901  23.553
  360    HE3  TRP  51           HE3      TRP  51  52.531  -6.624  27.184
  361    HZ2  TRP  51           HZ2      TRP  51  49.423 -10.048  25.362
  362    HZ3  TRP  51           HZ3      TRP  51  52.392  -8.865  28.232
  363    HH2  TRP  51           HH2      TRP  51  50.843 -10.577  27.327
  364    H    THR  52           HN       THR  52  51.001  -1.006  25.720
  365    HA   THR  52           HA       THR  52  52.623  -1.092  28.197
  366    HB   THR  52           HB       THR  52  53.887  -0.475  26.098
  367    HG1  THR  52           HG1      THR  52  54.175   0.357  28.395
  368   HG21  THR  52          HG21      THR  52  53.334   1.379  24.848
  369   HG22  THR  52          HG22      THR  52  52.584   2.207  26.213
  370   HG23  THR  52          HG23      THR  52  51.719   0.913  25.381
  371    H    VAL  53           HN       VAL  53  49.677  -0.725  27.706
  372    HA   VAL  53           HA       VAL  53  49.363   1.600  29.429
  373    HB   VAL  53           HB       VAL  53  48.075   1.445  26.693
  374   HG11  VAL  53          HG11      VAL  53  47.298   2.798  29.195
  375   HG12  VAL  53          HG12      VAL  53  46.332   2.434  27.765
  376   HG13  VAL  53          HG13      VAL  53  47.371   3.859  27.788
  377   HG21  VAL  53          HG21      VAL  53  50.256   2.397  26.497
  378   HG22  VAL  53          HG22      VAL  53  50.074   3.306  27.998
  379   HG23  VAL  53          HG23      VAL  53  49.152   3.771  26.569
  380    H    PHE  54           HN       PHE  54  47.761  -0.940  27.531
  381    HA   PHE  54           HA       PHE  54  45.674  -1.129  29.607
  382    HB2  PHE  54           HB2      PHE  54  45.754  -1.593  26.702
  383    HB3  PHE  54           HB1      PHE  54  44.892  -2.833  27.614
  384    HD1  PHE  54           HD1      PHE  54  43.003  -2.183  29.129
  385    HD2  PHE  54           HD2      PHE  54  44.872   0.622  26.467
  386    HE1  PHE  54           HE1      PHE  54  41.068  -0.653  29.383
  387    HE2  PHE  54           HE2      PHE  54  42.937   2.152  26.721
  388    HZ   PHE  54           HZ       PHE  54  41.036   1.515  28.179
  389    H    ARG  55           HN       ARG  55  48.578  -2.279  29.391
  390    HA   ARG  55           HA       ARG  55  47.822  -4.970  30.337
  391    HB2  ARG  55           HB2      ARG  55  48.712  -5.053  27.984
  392    HB3  ARG  55           HB1      ARG  55  50.235  -4.411  28.601
  393    HG2  ARG  55           HG2      ARG  55  50.830  -6.536  29.062
  394    HG3  ARG  55           HG1      ARG  55  49.609  -6.519  30.334
  395    HD2  ARG  55           HD2      ARG  55  47.912  -7.292  28.722
  396    HD3  ARG  55           HD1      ARG  55  49.125  -7.301  27.445
  397    HE   ARG  55           HE       ARG  55  50.228  -8.924  29.314
  398   HH11  ARG  55          HH21      ARG  55  47.095  -8.723  27.860
  399   HH12  ARG  55          HH22      ARG  55  46.777 -10.421  27.982
  400   HH21  ARG  55          HH11      ARG  55  49.819 -11.152  29.477
  401   HH22  ARG  55          HH12      ARG  55  48.320 -11.796  28.897
  402    H    LYS  56           HN       LYS  56  50.114  -2.302  30.326
  403    HA   LYS  56           HA       LYS  56  51.945  -3.315  32.212
  404    HB2  LYS  56           HB2      LYS  56  52.581  -0.950  32.545
  405    HB3  LYS  56           HB1      LYS  56  52.434  -1.352  30.835
  406    HG2  LYS  56           HG2      LYS  56  50.930   0.301  30.600
  407    HG3  LYS  56           HG1      LYS  56  49.855  -0.552  31.706
  408    HD2  LYS  56           HD2      LYS  56  50.239   1.663  32.601
  409    HD3  LYS  56           HD1      LYS  56  51.102   0.509  33.619
  410    HE2  LYS  56           HE2      LYS  56  52.884   1.201  31.537
  411    HE3  LYS  56           HE1      LYS  56  52.163   2.714  32.088
  412    HZ1  LYS  56           HZ1      LYS  56  53.652   2.593  33.724
  413    HZ2  LYS  56           HZ2      LYS  56  53.990   0.952  33.440
  414    HZ3  LYS  56           HZ3      LYS  56  52.656   1.395  34.396
  415    H    LYS  57           HN       LYS  57  48.750  -2.032  32.545
  416    HA   LYS  57           HA       LYS  57  49.072  -1.762  35.460
  417    HB2  LYS  57           HB2      LYS  57  46.854  -0.658  35.371
  418    HB3  LYS  57           HB1      LYS  57  48.042   0.149  34.346
  419    HG2  LYS  57           HG2      LYS  57  46.646  -0.114  32.602
  420    HG3  LYS  57           HG1      LYS  57  46.860  -1.858  32.745
  421    HD2  LYS  57           HD2      LYS  57  44.489  -1.386  32.883
  422    HD3  LYS  57           HD1      LYS  57  45.045  -1.868  34.487
  423    HE2  LYS  57           HE2      LYS  57  44.242   0.071  35.297
  424    HE3  LYS  57           HE1      LYS  57  45.438   0.928  34.325
  425    HZ1  LYS  57           HZ1      LYS  57  42.927  -0.013  33.106
  426    HZ2  LYS  57           HZ2      LYS  57  43.948   1.253  32.614
  427    HZ3  LYS  57           HZ3      LYS  57  42.956   1.439  33.981
  428    H    GLY  58           HN       GLY  58  48.645  -4.240  33.576
  429    HA2  GLY  58           HA2      GLY  58  46.676  -5.516  35.363
  430    HA3  GLY  58           HA1      GLY  58  46.507  -5.690  33.618
  431    H    HIS  59           HN       HIS  59  48.873  -6.223  32.632
  432    HA   HIS  59           HA       HIS  59  50.368  -7.937  32.291
  433    HB2  HIS  59           HB2      HIS  59  50.598  -7.483  35.263
  434    HB3  HIS  59           HB1      HIS  59  51.602  -8.660  34.416
  435    HD2  HIS  59           HD2      HIS  59  52.459  -6.994  31.768
  436    HE1  HIS  59           HE1      HIS  59  53.625  -3.916  34.412
  437    HE2  HIS  59           HE2      HIS  59  53.859  -4.808  32.046
  438    H    HIS  60           HN       HIS  60  47.607  -8.664  32.555
  439    HA   HIS  60           HA       HIS  60  46.212 -10.438  33.080
  440    HB2  HIS  60           HB2      HIS  60  47.091 -12.550  32.181
  441    HB3  HIS  60           HB1      HIS  60  47.457 -11.196  31.112
  442    HD2  HIS  60           HD2      HIS  60  50.227 -10.389  31.123
  443    HE1  HIS  60           HE1      HIS  60  51.590 -13.805  33.196
  444    HE2  HIS  60           HE2      HIS  60  52.316 -11.768  31.862
  445    H    HIS  61           HN       HIS  61  45.892 -10.380  35.290
  446    HA   HIS  61           HA       HIS  61  46.142 -10.953  37.514
  447    HB2  HIS  61           HB2      HIS  61  46.683 -13.480  35.977
  448    HB3  HIS  61           HB1      HIS  61  46.741 -13.471  37.739
  449    HD2  HIS  61           HD2      HIS  61  44.037 -11.524  35.576
  450    HE1  HIS  61           HE1      HIS  61  42.066 -14.336  38.032
  451    HE2  HIS  61           HE2      HIS  61  41.726 -12.445  36.372
  452    H    HIS  62           HN       HIS  62  48.018  -9.444  37.608
  453    HA   HIS  62           HA       HIS  62  50.690 -10.296  37.380
  454    HB2  HIS  62           HB2      HIS  62  49.520  -7.909  37.837
  455    HB3  HIS  62           HB1      HIS  62  50.055  -8.294  39.473
  456    HD2  HIS  62           HD2      HIS  62  51.611  -6.037  37.382
  457    HE1  HIS  62           HE1      HIS  62  54.774  -8.811  37.728
  458    HE2  HIS  62           HE2      HIS  62  54.172  -6.436  37.063
  459    H    HIS  63           HN       HIS  63  48.887  -9.718  40.411
  460    HA   HIS  63           HA       HIS  63  50.052 -12.144  41.560
  461    HB2  HIS  63           HB2      HIS  63  51.712 -10.506  42.158
  462    HB3  HIS  63           HB1      HIS  63  50.471  -9.373  42.696
  463    HD2  HIS  63           HD2      HIS  63  49.952 -13.052  43.837
  464    HE1  HIS  63           HE1      HIS  63  51.435 -10.909  47.158
  465    HE2  HIS  63           HE2      HIS  63  50.430 -13.115  46.403
  466    H    HIS  64           HN       HIS  64  47.991 -13.014  41.713
  467    HA   HIS  64           HA       HIS  64  45.642 -11.836  42.512
  468    HB2  HIS  64           HB2      HIS  64  45.050 -13.967  42.129
  469    HB3  HIS  64           HB1      HIS  64  46.696 -14.538  42.402
  470    HD2  HIS  64           HD2      HIS  64  46.792 -16.167  44.616
  471    HE1  HIS  64           HE1      HIS  64  43.590 -14.465  46.777
  472    HE2  HIS  64           HE2      HIS  64  45.360 -16.285  46.796
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  58.887   3.743  40.185
    2    H2   MET   1           HT2      MET   1  59.103   4.993  39.054
    3    H3   MET   1           HT3      MET   1  59.906   5.049  40.550
    4    HA   MET   1           HA       MET   1  61.544   3.693  39.897
    5    HB2  MET   1           HB2      MET   1  59.526   2.237  38.162
    6    HB3  MET   1           HB1      MET   1  61.159   1.692  38.545
    7    HG2  MET   1           HG2      MET   1  59.902   2.283  41.017
    8    HG3  MET   1           HG1      MET   1  58.747   1.340  40.075
    9    HE1  MET   1           HE1      MET   1  59.833  -0.268  38.345
   10    HE2  MET   1           HE2      MET   1  59.182  -1.415  39.512
   11    HE3  MET   1           HE3      MET   1  60.810  -1.642  38.879
   12    H    GLU   2           HN       GLU   2  63.025   4.548  38.580
   13    HA   GLU   2           HA       GLU   2  62.369   6.290  36.452
   14    HB2  GLU   2           HB2      GLU   2  64.506   6.269  37.838
   15    HB3  GLU   2           HB1      GLU   2  65.035   4.922  36.828
   16    HG2  GLU   2           HG2      GLU   2  64.617   6.368  34.810
   17    HG3  GLU   2           HG1      GLU   2  64.311   7.716  35.905
   18    H    GLU   3           HN       GLU   3  62.217   5.997  34.286
   19    HA   GLU   3           HA       GLU   3  62.070   3.244  33.326
   20    HB2  GLU   3           HB2      GLU   3  61.452   5.834  31.884
   21    HB3  GLU   3           HB1      GLU   3  61.044   4.206  31.339
   22    HG2  GLU   3           HG2      GLU   3  59.654   3.893  33.371
   23    HG3  GLU   3           HG1      GLU   3  60.023   5.546  33.860
   24    H    GLY   4           HN       GLY   4  63.822   6.247  32.598
   25    HA2  GLY   4           HA2      GLY   4  66.133   6.270  31.994
   26    HA3  GLY   4           HA1      GLY   4  65.957   4.631  31.375
   27    H    GLY   5           HN       GLY   5  64.803   4.319  29.371
   28    HA2  GLY   5           HA2      GLY   5  63.935   6.494  27.749
   29    HA3  GLY   5           HA1      GLY   5  65.562   5.995  27.297
   30    H    ASP   6           HN       ASP   6  65.443   3.268  27.666
   31    HA   ASP   6           HA       ASP   6  64.957   1.394  26.415
   32    HB2  ASP   6           HB2      ASP   6  62.068   2.137  26.458
   33    HB3  ASP   6           HB1      ASP   6  62.836   0.589  26.804
   34    H    PHE   7           HN       PHE   7  65.081   4.173  25.050
   35    HA   PHE   7           HA       PHE   7  64.362   3.169  22.411
   36    HB2  PHE   7           HB2      PHE   7  62.359   4.443  23.487
   37    HB3  PHE   7           HB1      PHE   7  63.322   5.885  23.165
   38    HD1  PHE   7           HD2      PHE   7  61.863   2.854  21.551
   39    HD2  PHE   7           HD1      PHE   7  63.467   6.798  20.985
   40    HE1  PHE   7           HE2      PHE   7  61.157   2.800  19.174
   41    HE2  PHE   7           HE1      PHE   7  62.761   6.744  18.608
   42    HZ   PHE   7           HZ       PHE   7  61.606   4.745  17.703
   43    H    ASP   8           HN       ASP   8  66.876   3.596  23.497
   44    HA   ASP   8           HA       ASP   8  67.870   5.695  21.718
   45    HB2  ASP   8           HB2      ASP   8  67.502   6.563  24.146
   46    HB3  ASP   8           HB1      ASP   8  68.928   5.597  24.527
   47    H    ASN   9           HN       ASN   9  67.979   2.914  21.418
   48    HA   ASN   9           HA       ASN   9  70.740   2.195  22.146
   49    HB2  ASN   9           HB2      ASN   9  69.153   0.502  22.749
   50    HB3  ASN   9           HB1      ASN   9  68.404   0.553  21.153
   51   HD21  ASN   9          HD21      ASN   9  69.043  -1.187  19.888
   52   HD22  ASN   9          HD22      ASN   9  70.571  -1.923  19.941
   53    H    TYR  10           HN       TYR  10  68.996   0.910  19.394
   54    HA   TYR  10           HA       TYR  10  71.218   1.647  17.653
   55    HB2  TYR  10           HB2      TYR  10  69.678  -0.597  17.796
   56    HB3  TYR  10           HB1      TYR  10  68.879   0.276  16.489
   57    HD1  TYR  10           HD2      TYR  10  72.255  -0.820  17.672
   58    HD2  TYR  10           HD1      TYR  10  69.799   0.281  14.325
   59    HE1  TYR  10           HE2      TYR  10  74.078  -1.469  16.122
   60    HE2  TYR  10           HE1      TYR  10  71.624  -0.367  12.774
   61    HH   TYR  10           HH       TYR  10  73.802  -0.921  12.631
   62    H    TYR  11           HN       TYR  11  68.546   3.200  18.688
   63    HA   TYR  11           HA       TYR  11  67.070   4.751  17.794
   64    HB2  TYR  11           HB2      TYR  11  68.356   6.497  16.441
   65    HB3  TYR  11           HB1      TYR  11  68.941   6.171  18.073
   66    HD1  TYR  11           HD1      TYR  11  70.987   4.846  18.442
   67    HD2  TYR  11           HD2      TYR  11  69.625   5.819  14.487
   68    HE1  TYR  11           HE1      TYR  11  73.202   4.213  17.524
   69    HE2  TYR  11           HE2      TYR  11  71.840   5.185  13.568
   70    HH   TYR  11           HH       TYR  11  74.136   4.952  14.309
   71    H    GLY  12           HN       GLY  12  66.910   2.342  16.371
   72    HA2  GLY  12           HA2      GLY  12  65.755   3.278  13.912
   73    HA3  GLY  12           HA1      GLY  12  67.218   2.334  13.646
   74    H    ALA  13           HN       ALA  13  67.244   0.224  15.024
   75    HA   ALA  13           HA       ALA  13  64.979  -1.088  15.906
   76    HB1  ALA  13           HB1      ALA  13  65.217  -1.018  12.938
   77    HB2  ALA  13           HB2      ALA  13  63.775  -1.093  13.952
   78    HB3  ALA  13           HB3      ALA  13  64.740  -2.545  13.680
   79    H    ASP  14           HN       ASP  14  67.898  -1.390  13.946
   80    HA   ASP  14           HA       ASP  14  69.740  -2.750  14.235
   81    HB2  ASP  14           HB2      ASP  14  68.864  -2.547  16.751
   82    HB3  ASP  14           HB1      ASP  14  68.508  -4.255  16.490
   83    H    ASN  15           HN       ASN  15  67.199  -3.437  12.777
   84    HA   ASN  15           HA       ASN  15  67.853  -6.266  12.337
   85    HB2  ASN  15           HB2      ASN  15  65.101  -5.186  12.955
   86    HB3  ASN  15           HB1      ASN  15  65.370  -6.745  12.178
   87   HD21  ASN  15          HD21      ASN  15  67.279  -8.028  13.495
   88   HD22  ASN  15          HD22      ASN  15  67.012  -8.085  15.171
   89    H    GLN  16           HN       GLN  16  68.027  -3.495  10.988
   90    HA   GLN  16           HA       GLN  16  66.346  -3.652   8.676
   91    HB2  GLN  16           HB2      GLN  16  68.930  -2.111   8.989
   92    HB3  GLN  16           HB1      GLN  16  67.627  -1.788   7.845
   93    HG2  GLN  16           HG2      GLN  16  66.719  -0.423   9.386
   94    HG3  GLN  16           HG1      GLN  16  66.384  -1.853  10.360
   95   HE21  GLN  16          HE21      GLN  16  68.147  -2.517  11.927
   96   HE22  GLN  16          HE22      GLN  16  69.168  -1.315  12.556
   97    H    SER  17           HN       SER  17  68.418  -5.848   9.520
   98    HA   SER  17           HA       SER  17  69.853  -6.064   6.958
   99    HB2  SER  17           HB2      SER  17  70.622  -6.590   9.596
  100    HB3  SER  17           HB1      SER  17  70.405  -8.177   8.863
  101    HG   SER  17           HG       SER  17  72.240  -6.178   8.316
  102    H    GLU  18           HN       GLU  18  67.849  -8.028   9.159
  103    HA   GLU  18           HA       GLU  18  66.690  -9.996   8.772
  104    HB2  GLU  18           HB2      GLU  18  65.314  -8.066   7.773
  105    HB3  GLU  18           HB1      GLU  18  65.864  -8.654   6.203
  106    HG2  GLU  18           HG2      GLU  18  64.945 -10.883   6.707
  107    HG3  GLU  18           HG1      GLU  18  64.404 -10.308   8.283
  108    H    CYS  19           HN       CYS  19  68.544 -11.344   8.437
  109    HA   CYS  19           HA       CYS  19  68.498 -12.714   5.928
  110    HB2  CYS  19           HB2      CYS  19  69.944 -10.602   5.530
  111    HB3  CYS  19           HB1      CYS  19  71.145 -11.416   6.533
  112    HG   CYS  19           HG       CYS  19  71.134 -11.981   3.781
  113    H    GLU  20           HN       GLU  20  67.950 -13.913   8.136
  114    HA   GLU  20           HA       GLU  20  70.173 -14.835   9.680
  115    HB2  GLU  20           HB2      GLU  20  67.546 -14.802  10.152
  116    HB3  GLU  20           HB1      GLU  20  67.670 -16.441   9.512
  117    HG2  GLU  20           HG2      GLU  20  68.089 -16.808  11.770
  118    HG3  GLU  20           HG1      GLU  20  69.724 -16.612  11.144
  119    H    TYR  21           HN       TYR  21  70.828 -15.149   7.002
  120    HA   TYR  21           HA       TYR  21  71.640 -16.678   5.491
  121    HB2  TYR  21           HB2      TYR  21  71.741 -18.196   8.089
  122    HB3  TYR  21           HB1      TYR  21  72.264 -18.939   6.577
  123    HD1  TYR  21           HD1      TYR  21  72.737 -15.849   8.642
  124    HD2  TYR  21           HD2      TYR  21  74.439 -18.564   5.779
  125    HE1  TYR  21           HE1      TYR  21  74.911 -14.666   8.811
  126    HE2  TYR  21           HE2      TYR  21  76.612 -17.381   5.949
  127    HH   TYR  21           HH       TYR  21  77.673 -15.785   8.085
  128    H    THR  22           HN       THR  22  70.199 -17.216   3.968
  129    HA   THR  22           HA       THR  22  68.700 -18.538   2.819
  130    HB   THR  22           HB       THR  22  68.107 -20.348   5.077
  131    HG1  THR  22           HG1      THR  22  70.522 -20.922   3.988
  132   HG21  THR  22          HG21      THR  22  69.247 -20.984   2.358
  133   HG22  THR  22          HG22      THR  22  67.542 -20.586   2.570
  134   HG23  THR  22          HG23      THR  22  68.227 -21.993   3.384
  135    H    ASP  23           HN       ASP  23  68.128 -16.785   5.548
  136    HA   ASP  23           HA       ASP  23  65.209 -17.222   5.483
  137    HB2  ASP  23           HB2      ASP  23  66.520 -17.346   7.676
  138    HB3  ASP  23           HB1      ASP  23  66.730 -15.602   7.520
  139    H    TRP  24           HN       TRP  24  66.807 -15.708   3.484
  140    HA   TRP  24           HA       TRP  24  65.843 -12.965   3.946
  141    HB2  TRP  24           HB2      TRP  24  67.322 -12.321   2.122
  142    HB3  TRP  24           HB1      TRP  24  68.223 -13.272   3.304
  143    HD1  TRP  24           HD1      TRP  24  68.526 -15.943   2.689
  144    HE1  TRP  24           HE1      TRP  24  68.873 -17.047   0.385
  145    HE3  TRP  24           HE3      TRP  24  66.852 -12.194  -0.348
  146    HZ2  TRP  24           HZ2      TRP  24  68.493 -16.423  -2.380
  147    HZ3  TRP  24           HZ3      TRP  24  66.856 -12.476  -2.810
  148    HH2  TRP  24           HH2      TRP  24  67.673 -14.584  -3.829
  149    H    LYS  25           HN       LYS  25  64.829 -15.786   2.528
  150    HA   LYS  25           HA       LYS  25  63.001 -14.311   0.754
  151    HB2  LYS  25           HB2      LYS  25  63.263 -16.422  -0.790
  152    HB3  LYS  25           HB1      LYS  25  64.420 -15.096  -0.902
  153    HG2  LYS  25           HG2      LYS  25  65.551 -17.305  -0.804
  154    HG3  LYS  25           HG1      LYS  25  65.972 -16.292   0.577
  155    HD2  LYS  25           HD2      LYS  25  64.569 -17.511   2.044
  156    HD3  LYS  25           HD1      LYS  25  63.687 -18.260   0.712
  157    HE2  LYS  25           HE2      LYS  25  65.456 -19.698   1.943
  158    HE3  LYS  25           HE1      LYS  25  65.477 -19.703   0.180
  159    HZ1  LYS  25           HZ1      LYS  25  67.142 -17.908   1.856
  160    HZ2  LYS  25           HZ2      LYS  25  67.234 -18.114   0.172
  161    HZ3  LYS  25           HZ3      LYS  25  67.688 -19.378   1.213
  162    H    SER  26           HN       SER  26  63.157 -16.015   3.410
  163    HA   SER  26           HA       SER  26  61.010 -17.926   2.795
  164    HB2  SER  26           HB2      SER  26  63.228 -18.029   4.509
  165    HB3  SER  26           HB1      SER  26  61.831 -17.864   5.569
  166    HG   SER  26           HG       SER  26  61.903 -19.683   3.401
  167    H    SER  27           HN       SER  27  61.729 -15.602   5.414
  168    HA   SER  27           HA       SER  27  58.955 -15.375   6.133
  169    HB2  SER  27           HB2      SER  27  61.259 -14.935   7.483
  170    HB3  SER  27           HB1      SER  27  60.852 -13.284   7.024
  171    HG   SER  27           HG       SER  27  58.852 -14.968   8.041
  172    H    GLY  28           HN       GLY  28  60.013 -14.560   3.370
  173    HA2  GLY  28           HA2      GLY  28  58.561 -11.995   3.277
  174    HA3  GLY  28           HA1      GLY  28  60.140 -12.125   2.508
  175    H    ALA  29           HN       ALA  29  57.477 -14.475   2.639
  176    HA   ALA  29           HA       ALA  29  57.103 -14.174  -0.268
  177    HB1  ALA  29           HB1      ALA  29  58.686 -16.078   0.240
  178    HB2  ALA  29           HB2      ALA  29  57.231 -16.536  -0.646
  179    HB3  ALA  29           HB3      ALA  29  57.350 -16.867   1.082
  180    H    LEU  30           HN       LEU  30  55.829 -14.535   2.839
  181    HA   LEU  30           HA       LEU  30  53.124 -14.843   1.717
  182    HB2  LEU  30           HB2      LEU  30  52.518 -16.326   3.615
  183    HB3  LEU  30           HB1      LEU  30  53.724 -17.051   2.551
  184    HG   LEU  30           HG       LEU  30  55.193 -15.581   4.446
  185   HD11  LEU  30          HD11      LEU  30  53.109 -15.504   5.812
  186   HD12  LEU  30          HD12      LEU  30  54.384 -16.443   6.588
  187   HD13  LEU  30          HD13      LEU  30  53.050 -17.265   5.778
  188   HD21  LEU  30          HD21      LEU  30  54.565 -18.548   4.323
  189   HD22  LEU  30          HD22      LEU  30  55.945 -17.825   5.149
  190   HD23  LEU  30          HD23      LEU  30  55.820 -17.729   3.392
  191    H    ILE  31           HN       ILE  31  55.295 -13.242   3.734
  192    HA   ILE  31           HA       ILE  31  53.459 -12.296   5.714
  193    HB   ILE  31           HB       ILE  31  56.286 -11.985   5.093
  194   HG12  ILE  31          HG12      ILE  31  56.399 -11.777   7.539
  195   HG13  ILE  31          HG11      ILE  31  54.647 -11.582   7.610
  196   HG21  ILE  31          HG21      ILE  31  55.756  -9.650   4.617
  197   HG22  ILE  31          HG22      ILE  31  56.512  -9.755   6.203
  198   HG23  ILE  31          HG23      ILE  31  54.768  -9.543   6.079
  199   HD11  ILE  31          HD11      ILE  31  55.531 -13.958   6.108
  200   HD12  ILE  31          HD12      ILE  31  54.267 -13.804   7.329
  201   HD13  ILE  31          HD13      ILE  31  55.952 -13.989   7.820
  202    HA   PRO  32           HA       PRO  32  53.103  -8.495   2.914
  203    HB2  PRO  32           HB2      PRO  32  54.163  -8.525   0.419
  204    HB3  PRO  32           HB1      PRO  32  55.127  -8.141   1.858
  205    HG2  PRO  32           HG2      PRO  32  55.107 -10.575   0.203
  206    HG3  PRO  32           HG1      PRO  32  56.397  -9.896   1.205
  207    HD2  PRO  32           HD2      PRO  32  54.644 -12.051   1.876
  208    HD3  PRO  32           HD1      PRO  32  55.849 -11.279   2.927
  209    H    ALA  33           HN       ALA  33  51.769 -11.237   2.674
  210    HA   ALA  33           HA       ALA  33  50.082 -10.621   0.321
  211    HB1  ALA  33           HB1      ALA  33  50.302 -12.723  -0.440
  212    HB2  ALA  33           HB2      ALA  33  49.990 -13.403   1.156
  213    HB3  ALA  33           HB3      ALA  33  51.625 -12.911   0.713
  214    H    ILE  34           HN       ILE  34  50.164 -12.254   3.484
  215    HA   ILE  34           HA       ILE  34  47.261 -11.807   3.738
  216    HB   ILE  34           HB       ILE  34  47.846 -13.332   5.872
  217   HG12  ILE  34          HG12      ILE  34  49.830 -14.193   3.745
  218   HG13  ILE  34          HG11      ILE  34  50.279 -13.334   5.220
  219   HG21  ILE  34          HG21      ILE  34  46.191 -13.858   4.141
  220   HG22  ILE  34          HG22      ILE  34  47.199 -15.270   4.454
  221   HG23  ILE  34          HG23      ILE  34  47.479 -14.289   3.016
  222   HD11  ILE  34          HD11      ILE  34  48.564 -15.570   5.856
  223   HD12  ILE  34          HD12      ILE  34  50.203 -15.237   6.417
  224   HD13  ILE  34          HD13      ILE  34  49.948 -16.117   4.910
  225    H    TYR  35           HN       TYR  35  50.262 -11.574   5.652
  226    HA   TYR  35           HA       TYR  35  49.336 -10.307   7.903
  227    HB2  TYR  35           HB2      TYR  35  51.809 -10.898   6.931
  228    HB3  TYR  35           HB1      TYR  35  51.818  -9.138   6.819
  229    HD1  TYR  35           HD1      TYR  35  51.035 -11.941   9.169
  230    HD2  TYR  35           HD2      TYR  35  52.184  -7.825   8.736
  231    HE1  TYR  35           HE1      TYR  35  51.399 -11.786  11.617
  232    HE2  TYR  35           HE2      TYR  35  52.549  -7.669  11.184
  233    HH   TYR  35           HH       TYR  35  51.793 -10.397  13.331
  234    H    MET  36           HN       MET  36  49.270  -9.134   4.704
  235    HA   MET  36           HA       MET  36  49.288  -6.321   5.338
  236    HB2  MET  36           HB2      MET  36  48.142  -7.508   2.822
  237    HB3  MET  36           HB1      MET  36  48.958  -5.960   3.043
  238    HG2  MET  36           HG2      MET  36  50.923  -7.647   3.849
  239    HG3  MET  36           HG1      MET  36  50.110  -8.666   2.661
  240    HE1  MET  36           HE1      MET  36  52.777  -6.027   3.174
  241    HE2  MET  36           HE2      MET  36  51.281  -5.133   3.432
  242    HE3  MET  36           HE3      MET  36  52.322  -4.722   2.071
  243    H    LEU  37           HN       LEU  37  46.757  -8.573   4.201
  244    HA   LEU  37           HA       LEU  37  44.576  -6.874   4.381
  245    HB2  LEU  37           HB2      LEU  37  45.002  -9.783   4.368
  246    HB3  LEU  37           HB1      LEU  37  43.520  -9.286   5.181
  247    HG   LEU  37           HG       LEU  37  43.244  -9.701   2.712
  248   HD11  LEU  37          HD11      LEU  37  42.324  -7.500   4.286
  249   HD12  LEU  37          HD12      LEU  37  41.516  -8.280   2.927
  250   HD13  LEU  37          HD13      LEU  37  42.598  -6.915   2.646
  251   HD21  LEU  37          HD21      LEU  37  44.471  -7.099   2.048
  252   HD22  LEU  37          HD22      LEU  37  44.499  -8.620   1.152
  253   HD23  LEU  37          HD23      LEU  37  45.623  -8.361   2.486
  254    H    VAL  38           HN       VAL  38  46.560  -7.997   6.886
  255    HA   VAL  38           HA       VAL  38  44.492  -7.527   8.934
  256    HB   VAL  38           HB       VAL  38  47.272  -8.580   9.429
  257   HG11  VAL  38          HG11      VAL  38  46.407  -9.279  11.486
  258   HG12  VAL  38          HG12      VAL  38  44.746  -9.291  10.895
  259   HG13  VAL  38          HG13      VAL  38  45.551  -7.758  11.234
  260   HG21  VAL  38          HG21      VAL  38  46.247 -10.857   9.277
  261   HG22  VAL  38          HG22      VAL  38  46.276 -10.022   7.724
  262   HG23  VAL  38          HG23      VAL  38  44.776 -10.119   8.644
  263    H    PHE  39           HN       PHE  39  47.834  -6.639   8.089
  264    HA   PHE  39           HA       PHE  39  48.391  -4.825  10.091
  265    HB2  PHE  39           HB2      PHE  39  49.975  -5.542   8.302
  266    HB3  PHE  39           HB1      PHE  39  49.121  -4.488   7.173
  267    HD1  PHE  39           HD1      PHE  39  50.868  -4.459  10.484
  268    HD2  PHE  39           HD2      PHE  39  49.692  -2.213   7.016
  269    HE1  PHE  39           HE1      PHE  39  52.194  -2.523  11.287
  270    HE2  PHE  39           HE2      PHE  39  51.017  -0.277   7.821
  271    HZ   PHE  39           HZ       PHE  39  52.268  -0.432   9.956
  272    H    LEU  40           HN       LEU  40  45.893  -4.650   7.832
  273    HA   LEU  40           HA       LEU  40  45.436  -1.812   8.506
  274    HB2  LEU  40           HB2      LEU  40  45.253  -3.121   5.792
  275    HB3  LEU  40           HB1      LEU  40  44.435  -1.605   6.168
  276    HG   LEU  40           HG       LEU  40  47.263  -1.686   6.993
  277   HD11  LEU  40          HD11      LEU  40  46.427  -1.976   4.105
  278   HD12  LEU  40          HD12      LEU  40  47.662  -2.880   4.981
  279   HD13  LEU  40          HD13      LEU  40  47.940  -1.191   4.554
  280   HD21  LEU  40          HD21      LEU  40  47.208   0.570   6.023
  281   HD22  LEU  40          HD22      LEU  40  45.803   0.329   7.060
  282   HD23  LEU  40          HD23      LEU  40  45.630   0.241   5.307
  283    H    LEU  41           HN       LEU  41  44.366  -4.047   9.845
  284    HA   LEU  41           HA       LEU  41  41.566  -3.463   9.627
  285    HB2  LEU  41           HB2      LEU  41  41.601  -5.020   7.804
  286    HB3  LEU  41           HB1      LEU  41  42.599  -6.154   8.711
  287    HG   LEU  41           HG       LEU  41  40.796  -6.654  10.229
  288   HD11  LEU  41          HD11      LEU  41  39.485  -4.275   8.912
  289   HD12  LEU  41          HD12      LEU  41  39.749  -4.570  10.631
  290   HD13  LEU  41          HD13      LEU  41  38.528  -5.492   9.755
  291   HD21  LEU  41          HD21      LEU  41  39.388  -7.803   8.766
  292   HD22  LEU  41          HD22      LEU  41  40.783  -7.495   7.734
  293   HD23  LEU  41          HD23      LEU  41  39.349  -6.479   7.603
  294    H    GLY  42           HN       GLY  42  43.605  -6.204  10.681
  295    HA2  GLY  42           HA2      GLY  42  42.212  -6.545  13.144
  296    HA3  GLY  42           HA1      GLY  42  43.756  -7.277  12.717
  297    H    THR  43           HN       THR  43  44.200  -4.093  12.176
  298    HA   THR  43           HA       THR  43  44.772  -3.347  14.954
  299    HB   THR  43           HB       THR  43  46.923  -4.022  14.650
  300    HG1  THR  43           HG1      THR  43  47.807  -2.178  13.013
  301   HG21  THR  43          HG21      THR  43  46.295  -3.824  11.706
  302   HG22  THR  43          HG22      THR  43  46.647  -5.268  12.656
  303   HG23  THR  43          HG23      THR  43  47.935  -4.121  12.284
  304    H    THR  44           HN       THR  44  45.379  -2.258  11.603
  305    HA   THR  44           HA       THR  44  45.021  -0.235  10.577
  306    HB   THR  44           HB       THR  44  42.893   0.630  10.790
  307    HG1  THR  44           HG1      THR  44  42.907   1.543  12.744
  308   HG21  THR  44          HG21      THR  44  43.009  -2.015  10.838
  309   HG22  THR  44          HG22      THR  44  41.463  -1.181  11.004
  310   HG23  THR  44          HG23      THR  44  42.289  -1.797  12.434
  311    H    GLY  45           HN       GLY  45  46.295  -0.516  13.532
  312    HA2  GLY  45           HA2      GLY  45  47.863   0.989  14.459
  313    HA3  GLY  45           HA1      GLY  45  47.058   2.311  13.618
  314    H    ASN  46           HN       ASN  46  44.908   0.174  15.150
  315    HA   ASN  46           HA       ASN  46  44.457   2.146  17.297
  316    HB2  ASN  46           HB2      ASN  46  42.207   1.517  17.307
  317    HB3  ASN  46           HB1      ASN  46  42.626   1.427  15.598
  318   HD21  ASN  46          HD21      ASN  46  42.499  -0.675  18.527
  319   HD22  ASN  46          HD22      ASN  46  42.072  -2.079  17.673
  320    H    GLY  47           HN       GLY  47  45.529  -1.050  16.676
  321    HA2  GLY  47           HA2      GLY  47  45.142  -1.850  19.487
  322    HA3  GLY  47           HA1      GLY  47  45.515  -2.940  18.155
  323    H    LEU  48           HN       LEU  48  47.498  -0.695  17.298
  324    HA   LEU  48           HA       LEU  48  49.729  -1.765  18.878
  325    HB2  LEU  48           HB2      LEU  48  50.255   0.060  16.602
  326    HB3  LEU  48           HB1      LEU  48  51.053  -1.447  17.048
  327    HG   LEU  48           HG       LEU  48  48.346  -1.176  15.706
  328   HD11  LEU  48          HD11      LEU  48  50.089  -0.827  14.107
  329   HD12  LEU  48          HD12      LEU  48  49.583  -2.505  13.917
  330   HD13  LEU  48          HD13      LEU  48  51.068  -2.126  14.789
  331   HD21  LEU  48          HD21      LEU  48  49.071  -3.823  15.576
  332   HD22  LEU  48          HD22      LEU  48  47.950  -3.156  16.764
  333   HD23  LEU  48          HD23      LEU  48  49.650  -3.377  17.181
  334    H    VAL  49           HN       VAL  49  47.756   0.431  19.669
  335    HA   VAL  49           HA       VAL  49  49.658   2.649  20.058
  336    HB   VAL  49           HB       VAL  49  46.741   2.757  20.768
  337   HG11  VAL  49          HG11      VAL  49  48.411   4.930  19.540
  338   HG12  VAL  49          HG12      VAL  49  48.619   4.541  21.248
  339   HG13  VAL  49          HG13      VAL  49  47.045   5.067  20.648
  340   HG21  VAL  49          HG21      VAL  49  47.991   3.097  18.024
  341   HG22  VAL  49          HG22      VAL  49  46.359   3.622  18.442
  342   HG23  VAL  49          HG23      VAL  49  46.773   1.908  18.487
  343    H    LEU  50           HN       LEU  50  47.025   1.141  21.943
  344    HA   LEU  50           HA       LEU  50  48.694   1.462  24.365
  345    HB2  LEU  50           HB2      LEU  50  46.570   1.475  25.622
  346    HB3  LEU  50           HB1      LEU  50  46.634   2.779  24.438
  347    HG   LEU  50           HG       LEU  50  45.547   0.708  22.974
  348   HD11  LEU  50          HD11      LEU  50  44.159   0.680  25.659
  349   HD12  LEU  50          HD12      LEU  50  45.383  -0.514  25.227
  350   HD13  LEU  50          HD13      LEU  50  43.895  -0.395  24.287
  351   HD21  LEU  50          HD21      LEU  50  44.235   2.925  24.569
  352   HD22  LEU  50          HD22      LEU  50  43.378   1.962  23.366
  353   HD23  LEU  50          HD23      LEU  50  44.735   2.977  22.879
  354    H    TRP  51           HN       TRP  51  46.576  -0.719  22.573
  355    HA   TRP  51           HA       TRP  51  46.635  -2.852  24.452
  356    HB2  TRP  51           HB2      TRP  51  44.906  -2.977  22.867
  357    HB3  TRP  51           HB1      TRP  51  45.996  -2.663  21.517
  358    HD1  TRP  51           HD1      TRP  51  47.199  -4.679  20.428
  359    HE1  TRP  51           HE1      TRP  51  47.133  -7.227  20.809
  360    HE3  TRP  51           HE3      TRP  51  44.605  -4.847  24.824
  361    HZ2  TRP  51           HZ2      TRP  51  46.114  -9.091  22.724
  362    HZ3  TRP  51           HZ3      TRP  51  44.101  -7.019  25.903
  363    HH2  TRP  51           HH2      TRP  51  44.852  -9.139  24.860
  364    H    THR  52           HN       THR  52  49.046  -1.538  22.528
  365    HA   THR  52           HA       THR  52  50.484  -3.805  21.672
  366    HB   THR  52           HB       THR  52  51.098  -1.677  20.781
  367    HG1  THR  52           HG1      THR  52  53.325  -1.589  21.428
  368   HG21  THR  52          HG21      THR  52  50.336  -0.208  22.524
  369   HG22  THR  52          HG22      THR  52  52.061   0.090  22.313
  370   HG23  THR  52          HG23      THR  52  51.494  -0.880  23.672
  371    H    VAL  53           HN       VAL  53  50.252  -2.198  24.772
  372    HA   VAL  53           HA       VAL  53  52.537  -3.448  25.956
  373    HB   VAL  53           HB       VAL  53  50.127  -2.379  27.425
  374   HG11  VAL  53          HG11      VAL  53  51.743  -1.925  29.172
  375   HG12  VAL  53          HG12      VAL  53  53.079  -2.381  28.115
  376   HG13  VAL  53          HG13      VAL  53  51.938  -3.604  28.672
  377   HG21  VAL  53          HG21      VAL  53  51.696  -0.250  27.409
  378   HG22  VAL  53          HG22      VAL  53  50.597  -0.547  26.062
  379   HG23  VAL  53          HG23      VAL  53  52.304  -0.965  25.916
  380    H    PHE  54           HN       PHE  54  49.042  -4.101  26.036
  381    HA   PHE  54           HA       PHE  54  49.275  -6.398  27.723
  382    HB2  PHE  54           HB2      PHE  54  47.160  -4.911  26.416
  383    HB3  PHE  54           HB1      PHE  54  46.909  -6.649  26.245
  384    HD1  PHE  54           HD2      PHE  54  47.661  -3.989  28.756
  385    HD2  PHE  54           HD1      PHE  54  46.147  -7.948  28.064
  386    HE1  PHE  54           HE2      PHE  54  46.915  -4.116  31.118
  387    HE2  PHE  54           HE1      PHE  54  45.401  -8.076  30.426
  388    HZ   PHE  54           HZ       PHE  54  45.785  -6.160  31.953
  389    H    ARG  55           HN       ARG  55  50.697  -6.082  24.941
  390    HA   ARG  55           HA       ARG  55  50.230  -8.883  24.155
  391    HB2  ARG  55           HB2      ARG  55  48.955  -7.552  22.570
  392    HB3  ARG  55           HB1      ARG  55  50.354  -6.523  22.264
  393    HG2  ARG  55           HG2      ARG  55  51.450  -8.138  21.033
  394    HG3  ARG  55           HG1      ARG  55  50.682  -9.469  21.900
  395    HD2  ARG  55           HD2      ARG  55  48.535  -8.938  20.772
  396    HD3  ARG  55           HD1      ARG  55  49.341  -7.656  19.872
  397    HE   ARG  55           HE       ARG  55  49.609 -10.522  19.451
  398   HH11  ARG  55          HH21      ARG  55  50.810  -7.329  18.875
  399   HH12  ARG  55          HH22      ARG  55  51.666  -7.763  17.434
  400   HH21  ARG  55          HH11      ARG  55  50.727 -11.098  17.558
  401   HH22  ARG  55          HH12      ARG  55  51.621  -9.896  16.688
  402    H    LYS  56           HN       LYS  56  52.307  -6.039  24.143
  403    HA   LYS  56           HA       LYS  56  54.564  -7.018  22.865
  404    HB2  LYS  56           HB2      LYS  56  54.077  -4.998  25.001
  405    HB3  LYS  56           HB1      LYS  56  55.740  -5.529  24.744
  406    HG2  LYS  56           HG2      LYS  56  55.806  -4.714  22.560
  407    HG3  LYS  56           HG1      LYS  56  54.053  -4.775  22.377
  408    HD2  LYS  56           HD2      LYS  56  54.990  -2.441  22.630
  409    HD3  LYS  56           HD1      LYS  56  53.761  -2.867  23.822
  410    HE2  LYS  56           HE2      LYS  56  55.312  -3.068  25.551
  411    HE3  LYS  56           HE1      LYS  56  56.651  -3.385  24.446
  412    HZ1  LYS  56           HZ1      LYS  56  57.062  -1.222  24.222
  413    HZ2  LYS  56           HZ2      LYS  56  56.082  -0.996  25.592
  414    HZ3  LYS  56           HZ3      LYS  56  55.423  -0.824  24.035
  415    H    LYS  57           HN       LYS  57  53.107  -8.176  25.692
  416    HA   LYS  57           HA       LYS  57  55.407  -9.113  27.092
  417    HB2  LYS  57           HB2      LYS  57  52.691 -10.407  27.220
  418    HB3  LYS  57           HB1      LYS  57  53.899 -10.248  28.497
  419    HG2  LYS  57           HG2      LYS  57  52.229  -8.032  27.277
  420    HG3  LYS  57           HG1      LYS  57  52.152  -8.634  28.933
  421    HD2  LYS  57           HD2      LYS  57  54.679  -7.987  29.030
  422    HD3  LYS  57           HD1      LYS  57  54.304  -6.986  27.627
  423    HE2  LYS  57           HE2      LYS  57  53.792  -5.449  29.250
  424    HE3  LYS  57           HE1      LYS  57  52.242  -6.287  29.215
  425    HZ1  LYS  57           HZ1      LYS  57  53.119  -7.760  30.983
  426    HZ2  LYS  57           HZ2      LYS  57  52.968  -6.138  31.465
  427    HZ3  LYS  57           HZ3      LYS  57  54.496  -6.775  31.082
  428    H    GLY  58           HN       GLY  58  53.853 -10.122  24.233
  429    HA2  GLY  58           HA2      GLY  58  55.648 -11.981  23.393
  430    HA3  GLY  58           HA1      GLY  58  54.556 -12.920  24.407
  431    H    HIS  59           HN       HIS  59  55.058 -11.558  21.335
  432    HA   HIS  59           HA       HIS  59  52.449 -11.184  20.380
  433    HB2  HIS  59           HB2      HIS  59  53.505 -10.754  18.443
  434    HB3  HIS  59           HB1      HIS  59  55.010 -11.066  19.309
  435    HD2  HIS  59           HD2      HIS  59  56.189 -13.601  18.776
  436    HE1  HIS  59           HE1      HIS  59  53.422 -14.752  15.801
  437    HE2  HIS  59           HE2      HIS  59  55.631 -15.340  16.910
  438    H    HIS  60           HN       HIS  60  53.760 -13.957  21.625
  439    HA   HIS  60           HA       HIS  60  52.552 -15.865  19.815
  440    HB2  HIS  60           HB2      HIS  60  53.804 -16.187  22.552
  441    HB3  HIS  60           HB1      HIS  60  53.239 -17.522  21.548
  442    HD2  HIS  60           HD2      HIS  60  56.561 -16.424  22.239
  443    HE1  HIS  60           HE1      HIS  60  56.636 -16.530  18.020
  444    HE2  HIS  60           HE2      HIS  60  58.074 -16.439  20.111
  445    H    HIS  61           HN       HIS  61  52.136 -16.193  23.264
  446    HA   HIS  61           HA       HIS  61  49.324 -15.473  23.200
  447    HB2  HIS  61           HB2      HIS  61  50.187 -18.344  23.630
  448    HB3  HIS  61           HB1      HIS  61  48.559 -17.721  23.905
  449    HD2  HIS  61           HD2      HIS  61  50.709 -19.025  20.982
  450    HE1  HIS  61           HE1      HIS  61  47.278 -17.264  19.265
  451    HE2  HIS  61           HE2      HIS  61  49.317 -18.704  18.797
  452    H    HIS  62           HN       HIS  62  50.486 -14.016  24.755
  453    HA   HIS  62           HA       HIS  62  51.483 -15.065  27.219
  454    HB2  HIS  62           HB2      HIS  62  51.914 -12.750  26.134
  455    HB3  HIS  62           HB1      HIS  62  50.392 -12.282  26.892
  456    HD2  HIS  62           HD2      HIS  62  53.977 -13.527  28.034
  457    HE1  HIS  62           HE1      HIS  62  52.004 -11.830  31.358
  458    HE2  HIS  62           HE2      HIS  62  54.196 -12.813  30.535
  459    H    HIS  63           HN       HIS  63  49.384 -16.517  27.209
  460    HA   HIS  63           HA       HIS  63  47.161 -15.148  28.556
  461    HB2  HIS  63           HB2      HIS  63  46.965 -16.906  26.608
  462    HB3  HIS  63           HB1      HIS  63  47.159 -18.074  27.916
  463    HD2  HIS  63           HD2      HIS  63  44.876 -14.797  27.682
  464    HE1  HIS  63           HE1      HIS  63  42.584 -18.010  29.181
  465    HE2  HIS  63           HE2      HIS  63  42.537 -15.546  28.570
  466    H    HIS  64           HN       HIS  64  49.513 -15.283  30.045
  467    HA   HIS  64           HA       HIS  64  49.100 -17.494  31.942
  468    HB2  HIS  64           HB2      HIS  64  51.317 -15.487  32.166
  469    HB3  HIS  64           HB1      HIS  64  51.292 -17.183  32.651
  470    HD2  HIS  64           HD2      HIS  64  50.488 -18.601  29.820
  471    HE1  HIS  64           HE1      HIS  64  53.722 -16.444  28.174
  472    HE2  HIS  64           HE2      HIS  64  52.142 -18.398  27.810
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  58.303   4.320   9.316
    2    H2   MET   1           HT2      MET   1  58.893   2.956  10.138
    3    H3   MET   1           HT3      MET   1  57.731   2.776   8.913
    4    HA   MET   1           HA       MET   1  59.887   4.152   7.804
    5    HB2  MET   1           HB2      MET   1  60.589   1.870   9.628
    6    HB3  MET   1           HB1      MET   1  61.504   2.100   8.137
    7    HG2  MET   1           HG2      MET   1  62.430   4.085   8.847
    8    HG3  MET   1           HG1      MET   1  61.028   4.510   9.830
    9    HE1  MET   1           HE1      MET   1  63.046   0.866  10.210
   10    HE2  MET   1           HE2      MET   1  64.502   1.748  10.664
   11    HE3  MET   1           HE3      MET   1  63.694   2.121   9.143
   12    H    GLU   2           HN       GLU   2  58.112   1.168   8.376
   13    HA   GLU   2           HA       GLU   2  57.307  -0.449   6.954
   14    HB2  GLU   2           HB2      GLU   2  57.430   1.881   5.024
   15    HB3  GLU   2           HB1      GLU   2  56.585   0.363   4.717
   16    HG2  GLU   2           HG2      GLU   2  55.969   1.741   7.281
   17    HG3  GLU   2           HG1      GLU   2  55.360   2.495   5.809
   18    H    GLU   3           HN       GLU   3  59.062  -1.848   6.933
   19    HA   GLU   3           HA       GLU   3  61.080  -1.460   4.825
   20    HB2  GLU   3           HB2      GLU   3  62.389  -3.138   5.999
   21    HB3  GLU   3           HB1      GLU   3  61.866  -1.902   7.145
   22    HG2  GLU   3           HG2      GLU   3  59.771  -3.696   7.212
   23    HG3  GLU   3           HG1      GLU   3  61.169  -4.753   7.024
   24    H    GLY   4           HN       GLY   4  58.160  -2.578   4.746
   25    HA2  GLY   4           HA2      GLY   4  58.476  -5.302   3.877
   26    HA3  GLY   4           HA1      GLY   4  57.019  -4.322   3.736
   27    H    GLY   5           HN       GLY   5  56.433  -4.397   1.651
   28    HA2  GLY   5           HA2      GLY   5  58.166  -3.229  -0.349
   29    HA3  GLY   5           HA1      GLY   5  57.840  -4.942  -0.600
   30    H    ASP   6           HN       ASP   6  56.501  -1.727  -0.614
   31    HA   ASP   6           HA       ASP   6  54.243  -2.699  -2.208
   32    HB2  ASP   6           HB2      ASP   6  54.033  -1.707   0.525
   33    HB3  ASP   6           HB1      ASP   6  53.066  -0.760  -0.605
   34    H    PHE   7           HN       PHE   7  55.528   0.262  -0.671
   35    HA   PHE   7           HA       PHE   7  56.037   2.325  -1.544
   36    HB2  PHE   7           HB2      PHE   7  55.938   1.302  -4.345
   37    HB3  PHE   7           HB1      PHE   7  57.110   2.376  -3.579
   38    HD1  PHE   7           HD2      PHE   7  57.865   0.883  -1.165
   39    HD2  PHE   7           HD1      PHE   7  57.187  -0.518  -5.169
   40    HE1  PHE   7           HE2      PHE   7  59.365  -1.047  -0.744
   41    HE2  PHE   7           HE1      PHE   7  58.686  -2.447  -4.747
   42    HZ   PHE   7           HZ       PHE   7  59.775  -2.712  -2.535
   43    H    ASP   8           HN       ASP   8  53.377   1.820  -1.005
   44    HA   ASP   8           HA       ASP   8  51.992   3.257  -3.195
   45    HB2  ASP   8           HB2      ASP   8  50.013   2.047  -2.768
   46    HB3  ASP   8           HB1      ASP   8  51.289   0.830  -2.736
   47    H    ASN   9           HN       ASN   9  53.412   4.590  -1.174
   48    HA   ASN   9           HA       ASN   9  51.185   5.934   0.207
   49    HB2  ASN   9           HB2      ASN   9  53.475   4.548   1.438
   50    HB3  ASN   9           HB1      ASN   9  53.193   6.181   2.038
   51   HD21  ASN   9          HD21      ASN   9  51.274   6.568   3.287
   52   HD22  ASN   9          HD22      ASN   9  50.221   5.320   3.748
   53    H    TYR  10           HN       TYR  10  54.720   6.311   0.308
   54    HA   TYR  10           HA       TYR  10  54.378   9.121  -0.481
   55    HB2  TYR  10           HB2      TYR  10  56.480   7.589   0.998
   56    HB3  TYR  10           HB1      TYR  10  56.931   9.078   0.167
   57    HD1  TYR  10           HD1      TYR  10  54.899   7.614   2.870
   58    HD2  TYR  10           HD2      TYR  10  56.033  11.239   0.862
   59    HE1  TYR  10           HE1      TYR  10  53.936   8.945   4.728
   60    HE2  TYR  10           HE2      TYR  10  55.070  12.569   2.721
   61    HH   TYR  10           HH       TYR  10  53.350  12.267   4.496
   62    H    TYR  11           HN       TYR  11  55.446   6.098  -1.684
   63    HA   TYR  11           HA       TYR  11  56.721   5.485  -3.523
   64    HB2  TYR  11           HB2      TYR  11  55.887   6.708  -5.605
   65    HB3  TYR  11           HB1      TYR  11  54.670   5.881  -4.634
   66    HD1  TYR  11           HD2      TYR  11  53.141   7.154  -3.174
   67    HD2  TYR  11           HD1      TYR  11  55.983   9.127  -5.719
   68    HE1  TYR  11           HE2      TYR  11  51.932   9.297  -2.862
   69    HE2  TYR  11           HE1      TYR  11  54.775  11.270  -5.406
   70    HH   TYR  11           HH       TYR  11  52.191  11.600  -3.073
   71    H    GLY  12           HN       GLY  12  58.185   7.225  -1.889
   72    HA2  GLY  12           HA2      GLY  12  60.046   8.294  -3.841
   73    HA3  GLY  12           HA1      GLY  12  59.304   9.504  -2.799
   74    H    ALA  13           HN       ALA  13  59.203   8.411  -0.371
   75    HA   ALA  13           HA       ALA  13  62.041   8.039   0.298
   76    HB1  ALA  13           HB1      ALA  13  61.591   8.991   2.353
   77    HB2  ALA  13           HB2      ALA  13  59.921   8.425   2.369
   78    HB3  ALA  13           HB3      ALA  13  60.377   9.798   1.361
   79    H    ASP  14           HN       ASP  14  60.533   5.851  -0.823
   80    HA   ASP  14           HA       ASP  14  60.165   4.057   1.484
   81    HB2  ASP  14           HB2      ASP  14  58.703   4.393  -0.865
   82    HB3  ASP  14           HB1      ASP  14  59.604   2.900  -1.122
   83    H    ASN  15           HN       ASN  15  62.770   5.013   0.233
   84    HA   ASN  15           HA       ASN  15  63.932   2.714  -1.033
   85    HB2  ASN  15           HB2      ASN  15  64.652   5.211  -1.178
   86    HB3  ASN  15           HB1      ASN  15  65.526   4.872   0.314
   87   HD21  ASN  15          HD21      ASN  15  67.109   2.983   0.208
   88   HD22  ASN  15          HD22      ASN  15  67.868   2.660  -1.276
   89    H    GLN  16           HN       GLN  16  62.724   1.797   1.241
   90    HA   GLN  16           HA       GLN  16  65.043   1.017   2.900
   91    HB2  GLN  16           HB2      GLN  16  62.272   1.771   3.851
   92    HB3  GLN  16           HB1      GLN  16  63.473   0.963   4.859
   93    HG2  GLN  16           HG2      GLN  16  64.521   2.911   5.266
   94    HG3  GLN  16           HG1      GLN  16  64.667   3.239   3.541
   95   HE21  GLN  16          HE21      GLN  16  62.918   4.477   2.506
   96   HE22  GLN  16          HE22      GLN  16  61.835   5.391   3.441
   97    H    SER  17           HN       SER  17  63.872  -0.332   0.631
   98    HA   SER  17           HA       SER  17  63.066  -2.821   1.983
   99    HB2  SER  17           HB2      SER  17  61.721  -1.733  -0.499
  100    HB3  SER  17           HB1      SER  17  61.344  -3.246   0.319
  101    HG   SER  17           HG       SER  17  61.265  -0.729   1.617
  102    H    GLU  18           HN       GLU  18  64.153  -1.276  -1.023
  103    HA   GLU  18           HA       GLU  18  65.396  -2.092  -2.788
  104    HB2  GLU  18           HB2      GLU  18  66.962  -1.935  -0.689
  105    HB3  GLU  18           HB1      GLU  18  66.945  -3.696  -0.785
  106    HG2  GLU  18           HG2      GLU  18  67.710  -1.814  -3.036
  107    HG3  GLU  18           HG1      GLU  18  68.832  -2.768  -2.070
  108    H    CYS  19           HN       CYS  19  64.040  -3.405  -3.957
  109    HA   CYS  19           HA       CYS  19  64.554  -6.255  -3.769
  110    HB2  CYS  19           HB2      CYS  19  61.804  -5.099  -3.290
  111    HB3  CYS  19           HB1      CYS  19  62.081  -6.780  -3.749
  112    HG   CYS  19           HG       CYS  19  63.669  -5.860  -1.276
  113    H    GLU  20           HN       GLU  20  64.722  -3.822  -5.619
  114    HA   GLU  20           HA       GLU  20  63.104  -4.794  -7.873
  115    HB2  GLU  20           HB2      GLU  20  64.796  -2.293  -7.675
  116    HB3  GLU  20           HB1      GLU  20  63.641  -2.688  -8.949
  117    HG2  GLU  20           HG2      GLU  20  61.860  -2.807  -7.142
  118    HG3  GLU  20           HG1      GLU  20  63.048  -2.114  -6.038
  119    H    TYR  21           HN       TYR  21  65.286  -6.400  -7.009
  120    HA   TYR  21           HA       TYR  21  67.350  -5.946  -9.059
  121    HB2  TYR  21           HB2      TYR  21  67.278  -7.254  -6.418
  122    HB3  TYR  21           HB1      TYR  21  68.197  -8.122  -7.649
  123    HD1  TYR  21           HD1      TYR  21  67.652  -4.450  -7.152
  124    HD2  TYR  21           HD2      TYR  21  70.467  -7.695  -7.223
  125    HE1  TYR  21           HE1      TYR  21  69.518  -2.837  -6.900
  126    HE2  TYR  21           HE2      TYR  21  72.332  -6.081  -6.970
  127    HH   TYR  21           HH       TYR  21  72.552  -3.669  -5.968
  128    H    THR  22           HN       THR  22  65.695  -8.794  -7.673
  129    HA   THR  22           HA       THR  22  64.869  -9.701 -10.293
  130    HB   THR  22           HB       THR  22  66.674 -11.589  -8.816
  131    HG1  THR  22           HG1      THR  22  67.905  -9.732  -9.151
  132   HG21  THR  22          HG21      THR  22  66.891 -12.594 -10.996
  133   HG22  THR  22          HG22      THR  22  66.104 -11.215 -11.765
  134   HG23  THR  22          HG23      THR  22  65.175 -12.291 -10.721
  135    H    ASP  23           HN       ASP  23  63.576  -9.027  -7.805
  136    HA   ASP  23           HA       ASP  23  62.163 -11.560  -7.367
  137    HB2  ASP  23           HB2      ASP  23  63.615  -9.977  -5.283
  138    HB3  ASP  23           HB1      ASP  23  62.116 -10.795  -4.847
  139    H    TRP  24           HN       TRP  24  61.815  -8.729  -8.564
  140    HA   TRP  24           HA       TRP  24  59.476  -7.853  -7.011
  141    HB2  TRP  24           HB2      TRP  24  59.577  -5.849  -8.517
  142    HB3  TRP  24           HB1      TRP  24  61.025  -6.080  -7.537
  143    HD1  TRP  24           HD1      TRP  24  63.109  -7.383  -8.813
  144    HE1  TRP  24           HE1      TRP  24  63.869  -7.184 -11.269
  145    HE3  TRP  24           HE3      TRP  24  58.881  -5.410 -10.891
  146    HZ2  TRP  24           HZ2      TRP  24  62.824  -6.304 -13.781
  147    HZ3  TRP  24           HZ3      TRP  24  58.791  -4.901 -13.314
  148    HH2  TRP  24           HH2      TRP  24  60.756  -5.346 -14.760
  149    H    LYS  25           HN       LYS  25  60.370  -9.476  -9.913
  150    HA   LYS  25           HA       LYS  25  57.680  -9.131 -11.056
  151    HB2  LYS  25           HB2      LYS  25  58.867 -10.502 -12.967
  152    HB3  LYS  25           HB1      LYS  25  59.168  -8.775 -12.792
  153    HG2  LYS  25           HG2      LYS  25  61.273 -10.076 -13.075
  154    HG3  LYS  25           HG1      LYS  25  61.217  -9.223 -11.533
  155    HD2  LYS  25           HD2      LYS  25  60.724 -11.209 -10.328
  156    HD3  LYS  25           HD1      LYS  25  60.290 -12.086 -11.796
  157    HE2  LYS  25           HE2      LYS  25  63.072 -10.997 -11.351
  158    HE3  LYS  25           HE1      LYS  25  62.598 -12.602 -10.795
  159    HZ1  LYS  25           HZ1      LYS  25  62.039 -11.820 -13.571
  160    HZ2  LYS  25           HZ2      LYS  25  62.322 -13.364 -12.921
  161    HZ3  LYS  25           HZ3      LYS  25  63.615 -12.285 -13.148
  162    H    SER  26           HN       SER  26  58.732 -10.940  -8.746
  163    HA   SER  26           HA       SER  26  57.135 -13.256  -9.543
  164    HB2  SER  26           HB2      SER  26  59.055 -14.369 -10.062
  165    HB3  SER  26           HB1      SER  26  60.064 -13.293  -9.100
  166    HG   SER  26           HG       SER  26  59.306 -14.348  -7.242
  167    H    SER  27           HN       SER  27  59.436 -12.692  -6.891
  168    HA   SER  27           HA       SER  27  57.497 -13.496  -4.926
  169    HB2  SER  27           HB2      SER  27  59.851 -13.993  -4.569
  170    HB3  SER  27           HB1      SER  27  60.256 -12.280  -4.643
  171    HG   SER  27           HG       SER  27  59.931 -13.307  -2.488
  172    H    GLY  28           HN       GLY  28  56.900 -11.112  -6.597
  173    HA2  GLY  28           HA2      GLY  28  56.314  -9.261  -4.377
  174    HA3  GLY  28           HA1      GLY  28  57.028  -8.639  -5.861
  175    H    ALA  29           HN       ALA  29  54.654 -11.235  -5.686
  176    HA   ALA  29           HA       ALA  29  52.543  -9.438  -6.651
  177    HB1  ALA  29           HB1      ALA  29  54.018 -11.191  -8.346
  178    HB2  ALA  29           HB2      ALA  29  52.618 -10.199  -8.755
  179    HB3  ALA  29           HB3      ALA  29  52.390 -11.848  -8.172
  180    H    LEU  30           HN       LEU  30  53.606 -12.146  -4.897
  181    HA   LEU  30           HA       LEU  30  50.827 -13.026  -4.397
  182    HB2  LEU  30           HB2      LEU  30  53.387 -14.556  -3.883
  183    HB3  LEU  30           HB1      LEU  30  51.739 -15.168  -3.732
  184    HG   LEU  30           HG       LEU  30  51.821 -14.124  -6.312
  185   HD11  LEU  30          HD11      LEU  30  54.344 -14.018  -5.959
  186   HD12  LEU  30          HD12      LEU  30  53.812 -14.958  -7.353
  187   HD13  LEU  30          HD13      LEU  30  54.318 -15.778  -5.876
  188   HD21  LEU  30          HD21      LEU  30  50.701 -16.193  -5.616
  189   HD22  LEU  30          HD22      LEU  30  52.262 -16.965  -5.337
  190   HD23  LEU  30          HD23      LEU  30  51.778 -16.525  -6.974
  191    H    ILE  31           HN       ILE  31  53.651 -11.607  -3.033
  192    HA   ILE  31           HA       ILE  31  53.065 -12.242  -0.297
  193    HB   ILE  31           HB       ILE  31  55.032 -10.490  -1.706
  194   HG12  ILE  31          HG12      ILE  31  56.593 -11.811  -0.369
  195   HG13  ILE  31          HG11      ILE  31  55.253 -12.534   0.523
  196   HG21  ILE  31          HG21      ILE  31  54.396  -8.944  -0.018
  197   HG22  ILE  31          HG22      ILE  31  55.785  -9.792   0.659
  198   HG23  ILE  31          HG23      ILE  31  54.155 -10.223   1.174
  199   HD11  ILE  31          HD11      ILE  31  56.319 -13.809  -1.532
  200   HD12  ILE  31          HD12      ILE  31  55.277 -12.738  -2.468
  201   HD13  ILE  31          HD13      ILE  31  54.574 -13.835  -1.280
  202    HA   PRO  32           HA       PRO  32  51.094  -7.937  -0.236
  203    HB2  PRO  32           HB2      PRO  32  50.490  -6.673  -2.549
  204    HB3  PRO  32           HB1      PRO  32  52.115  -6.614  -1.840
  205    HG2  PRO  32           HG2      PRO  32  51.136  -8.109  -4.183
  206    HG3  PRO  32           HG1      PRO  32  52.757  -7.500  -3.824
  207    HD2  PRO  32           HD2      PRO  32  51.812 -10.171  -3.490
  208    HD3  PRO  32           HD1      PRO  32  53.385  -9.520  -2.989
  209    H    ALA  33           HN       ALA  33  49.957 -10.641  -1.039
  210    HA   ALA  33           HA       ALA  33  47.180  -9.734  -1.491
  211    HB1  ALA  33           HB1      ALA  33  46.801 -11.772  -2.843
  212    HB2  ALA  33           HB2      ALA  33  48.517 -12.160  -2.713
  213    HB3  ALA  33           HB3      ALA  33  48.003 -10.709  -3.576
  214    H    ILE  34           HN       ILE  34  49.323 -11.240   0.533
  215    HA   ILE  34           HA       ILE  34  47.141 -12.675   1.908
  216    HB   ILE  34           HB       ILE  34  49.512 -14.044   2.520
  217   HG12  ILE  34          HG12      ILE  34  49.189 -13.679  -0.476
  218   HG13  ILE  34          HG11      ILE  34  50.480 -12.955   0.484
  219   HG21  ILE  34          HG21      ILE  34  47.225 -14.978   2.347
  220   HG22  ILE  34          HG22      ILE  34  48.370 -15.905   1.377
  221   HG23  ILE  34          HG23      ILE  34  47.276 -14.762   0.597
  222   HD11  ILE  34          HD11      ILE  34  49.935 -15.918   0.154
  223   HD12  ILE  34          HD12      ILE  34  51.163 -15.237   1.221
  224   HD13  ILE  34          HD13      ILE  34  51.295 -15.023  -0.524
  225    H    TYR  35           HN       TYR  35  50.572 -11.799   2.371
  226    HA   TYR  35           HA       TYR  35  50.595 -11.593   5.121
  227    HB2  TYR  35           HB2      TYR  35  52.177 -10.437   2.915
  228    HB3  TYR  35           HB1      TYR  35  52.253  -9.542   4.433
  229    HD1  TYR  35           HD2      TYR  35  51.865 -13.208   3.777
  230    HD2  TYR  35           HD1      TYR  35  54.299 -10.087   5.444
  231    HE1  TYR  35           HE2      TYR  35  53.411 -14.911   4.705
  232    HE2  TYR  35           HE1      TYR  35  55.847 -11.789   6.372
  233    HH   TYR  35           HH       TYR  35  55.062 -15.134   6.453
  234    H    MET  36           HN       MET  36  49.248  -9.380   2.776
  235    HA   MET  36           HA       MET  36  48.929  -7.178   4.593
  236    HB2  MET  36           HB2      MET  36  47.483  -7.722   1.990
  237    HB3  MET  36           HB1      MET  36  47.606  -6.172   2.822
  238    HG2  MET  36           HG2      MET  36  50.000  -7.743   1.830
  239    HG3  MET  36           HG1      MET  36  49.237  -6.438   0.920
  240    HE1  MET  36           HE1      MET  36  52.774  -5.683   3.001
  241    HE2  MET  36           HE2      MET  36  52.195  -6.373   1.486
  242    HE3  MET  36           HE3      MET  36  52.072  -7.307   2.975
  243    H    LEU  37           HN       LEU  37  47.143 -10.051   3.849
  244    HA   LEU  37           HA       LEU  37  44.660  -9.072   4.996
  245    HB2  LEU  37           HB2      LEU  37  45.573 -11.683   3.817
  246    HB3  LEU  37           HB1      LEU  37  44.062 -11.590   4.717
  247    HG   LEU  37           HG       LEU  37  43.817 -11.254   2.220
  248   HD11  LEU  37          HD11      LEU  37  41.980 -10.026   2.676
  249   HD12  LEU  37          HD12      LEU  37  42.952  -8.635   3.152
  250   HD13  LEU  37          HD13      LEU  37  42.571  -9.887   4.332
  251   HD21  LEU  37          HD21      LEU  37  44.661  -9.279   1.189
  252   HD22  LEU  37          HD22      LEU  37  46.011  -9.931   2.116
  253   HD23  LEU  37          HD23      LEU  37  45.091  -8.562   2.741
  254    H    VAL  38           HN       VAL  38  47.554 -10.168   6.224
  255    HA   VAL  38           HA       VAL  38  46.269 -10.858   8.785
  256    HB   VAL  38           HB       VAL  38  48.607 -12.399   8.671
  257   HG11  VAL  38          HG11      VAL  38  46.539 -13.004   9.829
  258   HG12  VAL  38          HG12      VAL  38  46.977 -14.285   8.698
  259   HG13  VAL  38          HG13      VAL  38  45.692 -13.149   8.288
  260   HG21  VAL  38          HG21      VAL  38  48.563 -12.063   6.199
  261   HG22  VAL  38          HG22      VAL  38  46.940 -12.752   6.158
  262   HG23  VAL  38          HG23      VAL  38  48.310 -13.749   6.650
  263    H    PHE  39           HN       PHE  39  49.587 -10.636   7.485
  264    HA   PHE  39           HA       PHE  39  50.932  -9.704   9.646
  265    HB2  PHE  39           HB2      PHE  39  51.627 -10.017   7.093
  266    HB3  PHE  39           HB1      PHE  39  51.469  -8.260   7.096
  267    HD1  PHE  39           HD1      PHE  39  53.050 -11.085   8.970
  268    HD2  PHE  39           HD2      PHE  39  53.185  -6.910   7.972
  269    HE1  PHE  39           HE1      PHE  39  55.250 -10.887  10.097
  270    HE2  PHE  39           HE2      PHE  39  55.385  -6.711   9.099
  271    HZ   PHE  39           HZ       PHE  39  56.418  -8.700  10.161
  272    H    LEU  40           HN       LEU  40  49.115  -7.659   7.362
  273    HA   LEU  40           HA       LEU  40  49.315  -5.425   9.276
  274    HB2  LEU  40           HB2      LEU  40  48.801  -5.587   6.319
  275    HB3  LEU  40           HB1      LEU  40  48.319  -4.159   7.235
  276    HG   LEU  40           HG       LEU  40  51.069  -5.174   7.725
  277   HD11  LEU  40          HD11      LEU  40  51.251  -5.375   5.398
  278   HD12  LEU  40          HD12      LEU  40  51.738  -3.701   5.664
  279   HD13  LEU  40          HD13      LEU  40  50.107  -4.066   5.098
  280   HD21  LEU  40          HD21      LEU  40  49.961  -2.398   7.205
  281   HD22  LEU  40          HD22      LEU  40  51.529  -2.794   7.907
  282   HD23  LEU  40          HD23      LEU  40  50.049  -3.142   8.801
  283    H    LEU  41           HN       LEU  41  47.674  -7.062  10.390
  284    HA   LEU  41           HA       LEU  41  45.114  -5.779  10.246
  285    HB2  LEU  41           HB2      LEU  41  44.724  -7.231   8.378
  286    HB3  LEU  41           HB1      LEU  41  45.407  -8.613   9.230
  287    HG   LEU  41           HG       LEU  41  43.556  -8.681  10.772
  288   HD11  LEU  41          HD11      LEU  41  43.088  -6.412  11.253
  289   HD12  LEU  41          HD12      LEU  41  41.658  -6.961  10.379
  290   HD13  LEU  41          HD13      LEU  41  42.885  -6.004   9.550
  291   HD21  LEU  41          HD21      LEU  41  41.629  -8.926   9.186
  292   HD22  LEU  41          HD22      LEU  41  43.095  -9.735   8.631
  293   HD23  LEU  41          HD23      LEU  41  42.623  -8.188   7.930
  294    H    GLY  42           HN       GLY  42  46.404  -8.980  11.178
  295    HA2  GLY  42           HA2      GLY  42  45.004  -9.023  13.666
  296    HA3  GLY  42           HA1      GLY  42  46.283 -10.130  13.175
  297    H    THR  43           HN       THR  43  47.245  -6.917  12.850
  298    HA   THR  43           HA       THR  43  48.094  -6.449  15.562
  299    HB   THR  43           HB       THR  43  49.943  -7.762  15.391
  300    HG1  THR  43           HG1      THR  43  51.034  -5.908  15.390
  301   HG21  THR  43          HG21      THR  43  49.412  -8.957  13.430
  302   HG22  THR  43          HG22      THR  43  50.978  -8.233  13.065
  303   HG23  THR  43          HG23      THR  43  49.502  -7.515  12.420
  304    H    THR  44           HN       THR  44  49.323  -5.714  12.288
  305    HA   THR  44           HA       THR  44  49.577  -3.721  11.172
  306    HB   THR  44           HB       THR  44  47.872  -2.154  11.339
  307    HG1  THR  44           HG1      THR  44  46.833  -1.717  13.312
  308   HG21  THR  44          HG21      THR  44  46.368  -4.230  12.858
  309   HG22  THR  44          HG22      THR  44  47.134  -4.728  11.349
  310   HG23  THR  44          HG23      THR  44  45.952  -3.419  11.348
  311    H    GLY  45           HN       GLY  45  50.449  -4.235  14.307
  312    HA2  GLY  45           HA2      GLY  45  52.268  -3.348  15.458
  313    HA3  GLY  45           HA1      GLY  45  52.370  -2.066  14.256
  314    H    ASN  46           HN       ASN  46  49.361  -2.814  15.849
  315    HA   ASN  46           HA       ASN  46  49.661  -0.462  17.606
  316    HB2  ASN  46           HB2      ASN  46  47.286  -1.052  15.823
  317    HB3  ASN  46           HB1      ASN  46  47.364   0.236  17.023
  318   HD21  ASN  46          HD21      ASN  46  49.180  -0.951  14.138
  319   HD22  ASN  46          HD22      ASN  46  49.632   0.598  13.610
  320    H    GLY  47           HN       GLY  47  49.104  -3.674  17.404
  321    HA2  GLY  47           HA2      GLY  47  47.114  -3.734  19.583
  322    HA3  GLY  47           HA1      GLY  47  47.535  -5.095  18.547
  323    H    LEU  48           HN       LEU  48  50.345  -4.874  18.669
  324    HA   LEU  48           HA       LEU  48  50.791  -5.827  21.414
  325    HB2  LEU  48           HB2      LEU  48  52.970  -6.129  19.461
  326    HB3  LEU  48           HB1      LEU  48  52.259  -7.318  20.552
  327    HG   LEU  48           HG       LEU  48  51.087  -6.380  17.915
  328   HD11  LEU  48          HD11      LEU  48  52.867  -7.918  17.497
  329   HD12  LEU  48          HD12      LEU  48  51.383  -8.867  17.405
  330   HD13  LEU  48          HD13      LEU  48  52.391  -8.944  18.850
  331   HD21  LEU  48          HD21      LEU  48  49.110  -6.994  18.836
  332   HD22  LEU  48          HD22      LEU  48  49.903  -7.668  20.260
  333   HD23  LEU  48          HD23      LEU  48  49.724  -8.646  18.805
  334    H    VAL  49           HN       VAL  49  50.722  -2.951  20.421
  335    HA   VAL  49           HA       VAL  49  53.278  -2.159  21.657
  336    HB   VAL  49           HB       VAL  49  52.120  -0.714  19.272
  337   HG11  VAL  49          HG11      VAL  49  53.664   0.492  20.841
  338   HG12  VAL  49          HG12      VAL  49  54.315   0.330  19.210
  339   HG13  VAL  49          HG13      VAL  49  54.894  -0.724  20.499
  340   HG21  VAL  49          HG21      VAL  49  52.713  -2.953  18.521
  341   HG22  VAL  49          HG22      VAL  49  54.253  -2.870  19.377
  342   HG23  VAL  49          HG23      VAL  49  53.962  -1.830  17.982
  343    H    LEU  50           HN       LEU  50  50.022  -1.188  20.637
  344    HA   LEU  50           HA       LEU  50  50.040   0.977  22.621
  345    HB2  LEU  50           HB2      LEU  50  49.239   1.427  20.290
  346    HB3  LEU  50           HB1      LEU  50  47.927   0.285  20.565
  347    HG   LEU  50           HG       LEU  50  47.174   1.661  22.507
  348   HD11  LEU  50          HD11      LEU  50  48.925   2.918  23.326
  349   HD12  LEU  50          HD12      LEU  50  48.197   4.124  22.265
  350   HD13  LEU  50          HD13      LEU  50  49.605   3.212  21.725
  351   HD21  LEU  50          HD21      LEU  50  46.794   3.800  20.851
  352   HD22  LEU  50          HD22      LEU  50  45.853   2.310  20.768
  353   HD23  LEU  50          HD23      LEU  50  47.227   2.548  19.687
  354    H    TRP  51           HN       TRP  51  47.574  -1.373  21.553
  355    HA   TRP  51           HA       TRP  51  45.969  -1.367  23.775
  356    HB2  TRP  51           HB2      TRP  51  45.239  -2.640  21.921
  357    HB3  TRP  51           HB1      TRP  51  46.712  -3.610  21.901
  358    HD1  TRP  51           HD1      TRP  51  46.649  -5.819  23.171
  359    HE1  TRP  51           HE1      TRP  51  45.042  -6.919  24.859
  360    HE3  TRP  51           HE3      TRP  51  43.437  -1.934  23.993
  361    HZ2  TRP  51           HZ2      TRP  51  42.703  -6.242  26.359
  362    HZ3  TRP  51           HZ3      TRP  51  41.530  -2.189  25.555
  363    HH2  TRP  51           HH2      TRP  51  41.160  -4.336  26.738
  364    H    THR  52           HN       THR  52  49.144  -2.743  23.442
  365    HA   THR  52           HA       THR  52  49.052  -4.498  25.683
  366    HB   THR  52           HB       THR  52  50.763  -4.454  23.765
  367    HG1  THR  52           HG1      THR  52  50.838  -5.483  26.021
  368   HG21  THR  52          HG21      THR  52  52.219  -2.540  25.581
  369   HG22  THR  52          HG22      THR  52  51.224  -1.955  24.248
  370   HG23  THR  52          HG23      THR  52  52.610  -2.995  23.922
  371    H    VAL  53           HN       VAL  53  49.843  -1.094  25.266
  372    HA   VAL  53           HA       VAL  53  51.088  -0.521  27.674
  373    HB   VAL  53           HB       VAL  53  49.074   1.180  26.185
  374   HG11  VAL  53          HG11      VAL  53  49.332   2.259  28.242
  375   HG12  VAL  53          HG12      VAL  53  50.626   2.988  27.291
  376   HG13  VAL  53          HG13      VAL  53  50.994   1.700  28.439
  377   HG21  VAL  53          HG21      VAL  53  50.923   0.507  24.746
  378   HG22  VAL  53          HG22      VAL  53  52.093   0.925  25.998
  379   HG23  VAL  53          HG23      VAL  53  51.152   2.192  25.211
  380    H    PHE  54           HN       PHE  54  47.630   0.137  27.093
  381    HA   PHE  54           HA       PHE  54  47.040   0.204  29.893
  382    HB2  PHE  54           HB2      PHE  54  45.375   0.260  27.386
  383    HB3  PHE  54           HB1      PHE  54  44.621   0.151  28.977
  384    HD1  PHE  54           HD1      PHE  54  46.697   2.242  26.750
  385    HD2  PHE  54           HD2      PHE  54  44.702   2.000  30.546
  386    HE1  PHE  54           HE1      PHE  54  46.998   4.684  27.063
  387    HE2  PHE  54           HE2      PHE  54  45.003   4.442  30.860
  388    HZ   PHE  54           HZ       PHE  54  46.151   5.784  29.118
  389    H    ARG  55           HN       ARG  55  48.232  -2.083  29.887
  390    HA   ARG  55           HA       ARG  55  46.155  -4.004  30.477
  391    HB2  ARG  55           HB2      ARG  55  46.756  -4.133  27.926
  392    HB3  ARG  55           HB1      ARG  55  48.208  -4.946  28.505
  393    HG2  ARG  55           HG2      ARG  55  46.735  -6.738  28.202
  394    HG3  ARG  55           HG1      ARG  55  46.545  -6.382  29.918
  395    HD2  ARG  55           HD2      ARG  55  44.696  -4.688  28.789
  396    HD3  ARG  55           HD1      ARG  55  44.615  -6.077  27.713
  397    HE   ARG  55           HE       ARG  55  43.850  -6.000  30.518
  398   HH11  ARG  55          HH21      ARG  55  44.647  -7.887  27.729
  399   HH12  ARG  55          HH22      ARG  55  43.835  -9.309  28.290
  400   HH21  ARG  55          HH11      ARG  55  42.780  -7.862  31.259
  401   HH22  ARG  55          HH12      ARG  55  42.780  -9.296  30.287
  402    H    LYS  56           HN       LYS  56  49.620  -4.147  29.623
  403    HA   LYS  56           HA       LYS  56  50.322  -5.925  31.690
  404    HB2  LYS  56           HB2      LYS  56  52.652  -5.208  31.222
  405    HB3  LYS  56           HB1      LYS  56  51.757  -5.587  29.749
  406    HG2  LYS  56           HG2      LYS  56  52.294  -3.536  28.990
  407    HG3  LYS  56           HG1      LYS  56  51.240  -2.869  30.238
  408    HD2  LYS  56           HD2      LYS  56  53.116  -2.830  31.826
  409    HD3  LYS  56           HD1      LYS  56  54.177  -3.534  30.604
  410    HE2  LYS  56           HE2      LYS  56  54.532  -1.523  29.651
  411    HE3  LYS  56           HE1      LYS  56  52.801  -1.200  29.561
  412    HZ1  LYS  56           HZ1      LYS  56  52.951  -0.685  32.009
  413    HZ2  LYS  56           HZ2      LYS  56  53.685   0.436  30.964
  414    HZ3  LYS  56           HZ3      LYS  56  54.636  -0.679  31.823
  415    H    LYS  57           HN       LYS  57  49.516  -2.625  31.796
  416    HA   LYS  57           HA       LYS  57  51.117  -1.557  33.789
  417    HB2  LYS  57           HB2      LYS  57  48.142  -1.149  33.400
  418    HB3  LYS  57           HB1      LYS  57  49.209  -0.094  34.326
  419    HG2  LYS  57           HG2      LYS  57  50.256  -0.620  31.656
  420    HG3  LYS  57           HG1      LYS  57  48.656   0.119  31.601
  421    HD2  LYS  57           HD2      LYS  57  49.409   1.929  33.070
  422    HD3  LYS  57           HD1      LYS  57  50.997   1.174  33.214
  423    HE2  LYS  57           HE2      LYS  57  49.857   1.901  30.517
  424    HE3  LYS  57           HE1      LYS  57  50.737   3.083  31.487
  425    HZ1  LYS  57           HZ1      LYS  57  52.493   1.236  31.652
  426    HZ2  LYS  57           HZ2      LYS  57  52.382   2.123  30.208
  427    HZ3  LYS  57           HZ3      LYS  57  51.712   0.565  30.306
  428    H    GLY  58           HN       GLY  58  48.330  -3.711  34.085
  429    HA2  GLY  58           HA2      GLY  58  48.983  -5.157  36.247
  430    HA3  GLY  58           HA1      GLY  58  48.432  -3.659  36.993
  431    H    HIS  59           HN       HIS  59  47.106  -4.914  33.999
  432    HA   HIS  59           HA       HIS  59  45.010  -5.664  33.436
  433    HB2  HIS  59           HB2      HIS  59  44.631  -6.515  36.299
  434    HB3  HIS  59           HB1      HIS  59  43.984  -7.254  34.834
  435    HD2  HIS  59           HD2      HIS  59  46.400  -8.129  33.092
  436    HE1  HIS  59           HE1      HIS  59  48.446  -9.324  36.587
  437    HE2  HIS  59           HE2      HIS  59  48.387  -9.522  34.056
  438    H    HIS  60           HN       HIS  60  44.495  -4.731  36.838
  439    HA   HIS  60           HA       HIS  60  42.080  -3.335  36.245
  440    HB2  HIS  60           HB2      HIS  60  43.820  -3.190  38.718
  441    HB3  HIS  60           HB1      HIS  60  42.147  -2.649  38.593
  442    HD2  HIS  60           HD2      HIS  60  41.292  -5.485  36.797
  443    HE1  HIS  60           HE1      HIS  60  42.163  -7.329  40.495
  444    HE2  HIS  60           HE2      HIS  60  41.010  -7.635  38.253
  445    H    HIS  61           HN       HIS  61  45.141  -2.531  35.462
  446    HA   HIS  61           HA       HIS  61  46.258  -0.572  34.996
  447    HB2  HIS  61           HB2      HIS  61  43.443   0.502  34.707
  448    HB3  HIS  61           HB1      HIS  61  44.905   1.166  33.975
  449    HD2  HIS  61           HD2      HIS  61  45.608  -2.358  33.421
  450    HE1  HIS  61           HE1      HIS  61  42.890  -1.496  30.308
  451    HE2  HIS  61           HE2      HIS  61  44.609  -3.167  31.148
  452    H    HIS  62           HN       HIS  62  47.182  -0.183  37.023
  453    HA   HIS  62           HA       HIS  62  46.163   2.187  38.364
  454    HB2  HIS  62           HB2      HIS  62  45.042   0.224  39.486
  455    HB3  HIS  62           HB1      HIS  62  46.644  -0.324  39.976
  456    HD2  HIS  62           HD2      HIS  62  46.936   3.364  40.251
  457    HE1  HIS  62           HE1      HIS  62  45.268   2.217  43.956
  458    HE2  HIS  62           HE2      HIS  62  46.400   4.109  42.696
  459    H    HIS  63           HN       HIS  63  48.352   2.264  36.918
  460    HA   HIS  63           HA       HIS  63  50.658   1.724  38.665
  461    HB2  HIS  63           HB2      HIS  63  50.688   0.981  36.261
  462    HB3  HIS  63           HB1      HIS  63  50.666   2.682  35.797
  463    HD2  HIS  63           HD2      HIS  63  52.980   4.149  37.084
  464    HE1  HIS  63           HE1      HIS  63  55.371   0.670  36.994
  465    HE2  HIS  63           HE2      HIS  63  55.401   3.192  37.293
  466    H    HIS  64           HN       HIS  64  50.382   3.410  40.162
  467    HA   HIS  64           HA       HIS  64  50.499   6.156  39.104
  468    HB2  HIS  64           HB2      HIS  64  48.799   6.102  40.689
  469    HB3  HIS  64           HB1      HIS  64  49.655   4.955  41.719
  470    HD2  HIS  64           HD2      HIS  64  51.748   6.138  43.325
  471    HE1  HIS  64           HE1      HIS  64  50.540  10.119  42.601
  472    HE2  HIS  64           HE2      HIS  64  52.034   8.638  44.024
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  31.375  -9.265  -0.648
    2    H2   MET   1           HT2      MET   1  30.050  -9.898   0.206
    3    H3   MET   1           HT3      MET   1  29.817  -9.166  -1.310
    4    HA   MET   1           HA       MET   1  31.718 -11.262  -1.506
    5    HB2  MET   1           HB2      MET   1  30.285 -12.020   0.483
    6    HB3  MET   1           HB1      MET   1  28.947 -12.128  -0.661
    7    HG2  MET   1           HG2      MET   1  30.762 -13.490  -2.074
    8    HG3  MET   1           HG1      MET   1  31.413 -13.799  -0.465
    9    HE1  MET   1           HE1      MET   1  30.013 -14.310   1.478
   10    HE2  MET   1           HE2      MET   1  28.617 -15.385   1.491
   11    HE3  MET   1           HE3      MET   1  28.390 -13.663   1.198
   12    H    GLU   2           HN       GLU   2  31.817 -11.093  -3.662
   13    HA   GLU   2           HA       GLU   2  29.449 -10.446  -5.227
   14    HB2  GLU   2           HB2      GLU   2  32.385 -10.628  -5.751
   15    HB3  GLU   2           HB1      GLU   2  31.278 -10.796  -7.114
   16    HG2  GLU   2           HG2      GLU   2  30.872  -8.548  -5.168
   17    HG3  GLU   2           HG1      GLU   2  32.126  -8.406  -6.399
   18    H    GLU   3           HN       GLU   3  30.795 -13.227  -3.991
   19    HA   GLU   3           HA       GLU   3  30.479 -15.464  -4.404
   20    HB2  GLU   3           HB2      GLU   3  28.079 -14.184  -5.052
   21    HB3  GLU   3           HB1      GLU   3  28.403 -15.253  -6.417
   22    HG2  GLU   3           HG2      GLU   3  28.832 -17.104  -4.755
   23    HG3  GLU   3           HG1      GLU   3  28.258 -16.019  -3.490
   24    H    GLY   4           HN       GLY   4  32.038 -13.597  -6.314
   25    HA2  GLY   4           HA2      GLY   4  33.091 -15.585  -7.996
   26    HA3  GLY   4           HA1      GLY   4  31.923 -14.651  -8.925
   27    H    GLY   5           HN       GLY   5  35.087 -14.908  -8.455
   28    HA2  GLY   5           HA2      GLY   5  35.827 -12.510  -9.646
   29    HA3  GLY   5           HA1      GLY   5  35.954 -12.254  -7.908
   30    H    ASP   6           HN       ASP   6  37.236 -13.964 -10.665
   31    HA   ASP   6           HA       ASP   6  39.709 -14.462  -9.186
   32    HB2  ASP   6           HB2      ASP   6  37.992 -16.615 -10.407
   33    HB3  ASP   6           HB1      ASP   6  39.730 -16.827 -10.209
   34    H    PHE   7           HN       PHE   7  38.410 -13.010 -11.650
   35    HA   PHE   7           HA       PHE   7  40.793 -13.151 -13.275
   36    HB2  PHE   7           HB2      PHE   7  39.598 -13.773 -15.356
   37    HB3  PHE   7           HB1      PHE   7  39.597 -15.080 -14.171
   38    HD1  PHE   7           HD2      PHE   7  37.551 -15.267 -12.604
   39    HD2  PHE   7           HD1      PHE   7  37.569 -12.951 -16.222
   40    HE1  PHE   7           HE2      PHE   7  35.072 -15.297 -12.635
   41    HE2  PHE   7           HE1      PHE   7  35.089 -12.981 -16.253
   42    HZ   PHE   7           HZ       PHE   7  33.840 -14.153 -14.459
   43    H    ASP   8           HN       ASP   8  40.261 -10.957 -12.100
   44    HA   ASP   8           HA       ASP   8  39.354  -9.156 -14.184
   45    HB2  ASP   8           HB2      ASP   8  37.847  -9.508 -11.601
   46    HB3  ASP   8           HB1      ASP   8  37.823  -7.978 -12.474
   47    H    ASN   9           HN       ASN   9  41.849  -9.182 -13.556
   48    HA   ASN   9           HA       ASN   9  42.338  -7.264 -11.378
   49    HB2  ASN   9           HB2      ASN   9  44.755  -7.892 -11.810
   50    HB3  ASN   9           HB1      ASN   9  43.730  -9.191 -11.203
   51   HD21  ASN   9          HD21      ASN   9  43.131  -8.298 -14.497
   52   HD22  ASN   9          HD22      ASN   9  43.941  -9.605 -15.216
   53    H    TYR  10           HN       TYR  10  44.774  -7.430 -13.718
   54    HA   TYR  10           HA       TYR  10  44.598  -4.673 -14.359
   55    HB2  TYR  10           HB2      TYR  10  46.198  -6.974 -15.460
   56    HB3  TYR  10           HB1      TYR  10  46.287  -5.368 -16.184
   57    HD1  TYR  10           HD2      TYR  10  46.788  -3.378 -14.608
   58    HD2  TYR  10           HD1      TYR  10  47.464  -7.483 -13.543
   59    HE1  TYR  10           HE2      TYR  10  48.351  -2.657 -12.823
   60    HE2  TYR  10           HE1      TYR  10  49.026  -6.763 -11.756
   61    HH   TYR  10           HH       TYR  10  49.991  -5.049 -10.742
   62    H    TYR  11           HN       TYR  11  42.533  -7.003 -15.239
   63    HA   TYR  11           HA       TYR  11  40.976  -7.238 -16.911
   64    HB2  TYR  11           HB2      TYR  11  41.613  -4.573 -18.069
   65    HB3  TYR  11           HB1      TYR  11  40.049  -5.290 -17.681
   66    HD1  TYR  11           HD1      TYR  11  39.493  -5.620 -15.165
   67    HD2  TYR  11           HD2      TYR  11  42.589  -3.015 -16.606
   68    HE1  TYR  11           HE1      TYR  11  39.464  -4.394 -13.009
   69    HE2  TYR  11           HE2      TYR  11  42.561  -1.789 -14.451
   70    HH   TYR  11           HH       TYR  11  40.395  -2.788 -11.798
   71    H    GLY  12           HN       GLY  12  43.522  -8.281 -17.432
   72    HA2  GLY  12           HA2      GLY  12  43.444  -8.944 -20.095
   73    HA3  GLY  12           HA1      GLY  12  44.456  -7.505 -20.033
   74    H    ALA  13           HN       ALA  13  46.105  -7.646 -18.088
   75    HA   ALA  13           HA       ALA  13  47.122  -9.955 -17.033
   76    HB1  ALA  13           HB1      ALA  13  47.708  -9.720 -19.932
   77    HB2  ALA  13           HB2      ALA  13  47.579 -11.158 -18.919
   78    HB3  ALA  13           HB3      ALA  13  49.054 -10.191 -18.894
   79    H    ASP  14           HN       ASP  14  48.637  -7.545 -19.194
   80    HA   ASP  14           HA       ASP  14  50.244  -5.952 -18.803
   81    HB2  ASP  14           HB2      ASP  14  48.438  -5.220 -17.164
   82    HB3  ASP  14           HB1      ASP  14  49.372  -6.040 -15.914
   83    H    ASN  15           HN       ASN  15  51.280  -8.422 -18.956
   84    HA   ASN  15           HA       ASN  15  53.434  -8.336 -16.950
   85    HB2  ASN  15           HB2      ASN  15  51.472 -10.465 -17.313
   86    HB3  ASN  15           HB1      ASN  15  53.130 -11.041 -17.483
   87   HD21  ASN  15          HD21      ASN  15  54.649 -10.457 -15.635
   88   HD22  ASN  15          HD22      ASN  15  53.994 -10.304 -14.076
   89    H    GLN  16           HN       GLN  16  52.548  -8.252 -20.116
   90    HA   GLN  16           HA       GLN  16  54.220  -9.926 -21.530
   91    HB2  GLN  16           HB2      GLN  16  54.029  -8.423 -23.352
   92    HB3  GLN  16           HB1      GLN  16  52.539  -8.227 -22.434
   93    HG2  GLN  16           HG2      GLN  16  54.948  -6.401 -22.479
   94    HG3  GLN  16           HG1      GLN  16  53.285  -6.016 -22.913
   95   HE21  GLN  16          HE21      GLN  16  55.387  -5.264 -20.575
   96   HE22  GLN  16          HE22      GLN  16  54.362  -5.211 -19.222
   97    H    SER  17           HN       SER  17  55.078  -7.310 -19.464
   98    HA   SER  17           HA       SER  17  57.863  -7.933 -19.648
   99    HB2  SER  17           HB2      SER  17  57.193  -5.148 -20.564
  100    HB3  SER  17           HB1      SER  17  58.721  -6.012 -20.692
  101    HG   SER  17           HG       SER  17  57.979  -6.416 -22.633
  102    H    GLU  18           HN       GLU  18  56.734  -8.150 -17.407
  103    HA   GLU  18           HA       GLU  18  57.659  -5.916 -15.811
  104    HB2  GLU  18           HB2      GLU  18  55.487  -5.042 -16.162
  105    HB3  GLU  18           HB1      GLU  18  54.735  -6.628 -15.997
  106    HG2  GLU  18           HG2      GLU  18  55.052  -6.676 -13.668
  107    HG3  GLU  18           HG1      GLU  18  56.305  -5.438 -13.720
  108    H    CYS  19           HN       CYS  19  58.619  -6.731 -14.066
  109    HA   CYS  19           HA       CYS  19  59.290  -8.222 -12.451
  110    HB2  CYS  19           HB2      CYS  19  56.371  -9.020 -12.539
  111    HB3  CYS  19           HB1      CYS  19  57.505  -9.380 -11.236
  112    HG   CYS  19           HG       CYS  19  56.571  -6.480 -11.956
  113    H    GLU  20           HN       GLU  20  58.894  -9.060 -15.430
  114    HA   GLU  20           HA       GLU  20  58.405 -11.845 -15.470
  115    HB2  GLU  20           HB2      GLU  20  58.749  -9.965 -17.386
  116    HB3  GLU  20           HB1      GLU  20  60.326 -10.753 -17.440
  117    HG2  GLU  20           HG2      GLU  20  59.044 -12.030 -18.941
  118    HG3  GLU  20           HG1      GLU  20  58.972 -12.970 -17.452
  119    H    TYR  21           HN       TYR  21  60.737 -10.292 -13.818
  120    HA   TYR  21           HA       TYR  21  63.046 -11.881 -14.454
  121    HB2  TYR  21           HB2      TYR  21  62.649  -9.534 -13.094
  122    HB3  TYR  21           HB1      TYR  21  62.935 -10.672 -11.776
  123    HD1  TYR  21           HD2      TYR  21  64.345  -9.231 -14.884
  124    HD2  TYR  21           HD1      TYR  21  65.082 -11.720 -11.462
  125    HE1  TYR  21           HE2      TYR  21  66.773  -9.210 -15.393
  126    HE2  TYR  21           HE1      TYR  21  67.510 -11.699 -11.970
  127    HH   TYR  21           HH       TYR  21  68.821  -9.705 -14.588
  128    H    THR  22           HN       THR  22  60.593 -13.365 -13.856
  129    HA   THR  22           HA       THR  22  59.973 -15.278 -12.746
  130    HB   THR  22           HB       THR  22  61.664 -16.745 -12.099
  131    HG1  THR  22           HG1      THR  22  63.562 -16.059 -11.158
  132   HG21  THR  22          HG21      THR  22  63.514 -14.970 -13.611
  133   HG22  THR  22          HG22      THR  22  62.003 -15.411 -14.408
  134   HG23  THR  22          HG23      THR  22  63.118 -16.669 -13.873
  135    H    ASP  23           HN       ASP  23  59.312 -12.895 -11.513
  136    HA   ASP  23           HA       ASP  23  59.411 -13.693  -8.680
  137    HB2  ASP  23           HB2      ASP  23  59.607 -11.233  -8.105
  138    HB3  ASP  23           HB1      ASP  23  61.059 -11.967  -8.784
  139    H    TRP  24           HN       TRP  24  57.547 -13.221 -11.268
  140    HA   TRP  24           HA       TRP  24  55.401 -11.728  -9.953
  141    HB2  TRP  24           HB2      TRP  24  54.277 -11.813 -12.097
  142    HB3  TRP  24           HB1      TRP  24  55.951 -11.324 -12.358
  143    HD1  TRP  24           HD1      TRP  24  57.670 -13.383 -13.070
  144    HE1  TRP  24           HE1      TRP  24  57.211 -15.390 -14.622
  145    HE3  TRP  24           HE3      TRP  24  52.564 -13.413 -12.990
  146    HZ2  TRP  24           HZ2      TRP  24  54.975 -16.819 -15.687
  147    HZ3  TRP  24           HZ3      TRP  24  51.295 -15.106 -14.280
  148    HH2  TRP  24           HH2      TRP  24  52.494 -16.808 -15.628
  149    H    LYS  25           HN       LYS  25  56.487 -14.761  -9.716
  150    HA   LYS  25           HA       LYS  25  53.869 -15.785  -8.955
  151    HB2  LYS  25           HB2      LYS  25  54.545 -17.976 -10.254
  152    HB3  LYS  25           HB1      LYS  25  53.707 -16.669 -11.088
  153    HG2  LYS  25           HG2      LYS  25  55.671 -17.505 -12.373
  154    HG3  LYS  25           HG1      LYS  25  55.831 -15.803 -11.940
  155    HD2  LYS  25           HD2      LYS  25  57.379 -16.277 -10.203
  156    HD3  LYS  25           HD1      LYS  25  56.975 -17.995 -10.205
  157    HE2  LYS  25           HE2      LYS  25  58.095 -16.709 -12.683
  158    HE3  LYS  25           HE1      LYS  25  59.174 -17.219 -11.384
  159    HZ1  LYS  25           HZ1      LYS  25  59.074 -19.203 -12.371
  160    HZ2  LYS  25           HZ2      LYS  25  57.689 -18.806 -13.272
  161    HZ3  LYS  25           HZ3      LYS  25  57.537 -19.343 -11.667
  162    H    SER  26           HN       SER  26  56.716 -15.131  -7.938
  163    HA   SER  26           HA       SER  26  56.947 -17.565  -6.300
  164    HB2  SER  26           HB2      SER  26  58.696 -17.963  -7.821
  165    HB3  SER  26           HB1      SER  26  59.125 -16.257  -7.916
  166    HG   SER  26           HG       SER  26  60.597 -17.041  -6.544
  167    H    SER  27           HN       SER  27  59.332 -15.033  -6.315
  168    HA   SER  27           HA       SER  27  58.827 -14.439  -3.546
  169    HB2  SER  27           HB2      SER  27  60.689 -13.125  -5.536
  170    HB3  SER  27           HB1      SER  27  60.690 -12.840  -3.799
  171    HG   SER  27           HG       SER  27  61.232 -15.252  -5.190
  172    H    GLY  28           HN       GLY  28  56.659 -13.846  -5.439
  173    HA2  GLY  28           HA2      GLY  28  56.208 -11.067  -4.622
  174    HA3  GLY  28           HA1      GLY  28  56.108 -11.432  -6.343
  175    H    ALA  29           HN       ALA  29  55.158 -13.850  -4.051
  176    HA   ALA  29           HA       ALA  29  52.324 -13.142  -4.250
  177    HB1  ALA  29           HB1      ALA  29  53.251 -15.897  -5.059
  178    HB2  ALA  29           HB2      ALA  29  52.981 -14.610  -6.234
  179    HB3  ALA  29           HB3      ALA  29  51.646 -15.191  -5.240
  180    H    LEU  30           HN       LEU  30  54.814 -13.928  -2.380
  181    HA   LEU  30           HA       LEU  30  53.224 -15.602  -0.529
  182    HB2  LEU  30           HB2      LEU  30  56.223 -15.244  -0.509
  183    HB3  LEU  30           HB1      LEU  30  55.273 -16.449   0.361
  184    HG   LEU  30           HG       LEU  30  55.542 -16.242  -2.652
  185   HD11  LEU  30          HD11      LEU  30  56.352 -18.699  -1.247
  186   HD12  LEU  30          HD12      LEU  30  57.336 -17.291  -0.848
  187   HD13  LEU  30          HD13      LEU  30  57.179 -17.811  -2.526
  188   HD21  LEU  30          HD21      LEU  30  53.416 -17.151  -2.364
  189   HD22  LEU  30          HD22      LEU  30  53.832 -17.892  -0.819
  190   HD23  LEU  30          HD23      LEU  30  54.409 -18.607  -2.324
  191    H    ILE  31           HN       ILE  31  55.020 -12.642  -0.947
  192    HA   ILE  31           HA       ILE  31  54.979 -11.977   1.867
  193    HB   ILE  31           HB       ILE  31  56.062 -10.739  -0.610
  194   HG12  ILE  31          HG12      ILE  31  58.027 -10.515   0.814
  195   HG13  ILE  31          HG11      ILE  31  57.083 -10.965   2.235
  196   HG21  ILE  31          HG21      ILE  31  54.867  -8.816   0.156
  197   HG22  ILE  31          HG22      ILE  31  56.506  -8.632   0.776
  198   HG23  ILE  31          HG23      ILE  31  55.219  -9.183   1.847
  199   HD11  ILE  31          HD11      ILE  31  58.530 -12.772   0.915
  200   HD12  ILE  31          HD12      ILE  31  57.085 -12.839  -0.094
  201   HD13  ILE  31          HD13      ILE  31  56.974 -13.194   1.629
  202    HA   PRO  32           HA       PRO  32  51.477  -9.111   0.467
  203    HB2  PRO  32           HB2      PRO  32  50.308  -9.457  -1.950
  204    HB3  PRO  32           HB1      PRO  32  51.800  -8.520  -1.744
  205    HG2  PRO  32           HG2      PRO  32  51.407 -11.207  -2.887
  206    HG3  PRO  32           HG1      PRO  32  52.665 -10.007  -3.215
  207    HD2  PRO  32           HD2      PRO  32  52.875 -12.301  -1.530
  208    HD3  PRO  32           HD1      PRO  32  54.078 -11.013  -1.745
  209    H    ALA  33           HN       ALA  33  51.505 -12.317   0.754
  210    HA   ALA  33           HA       ALA  33  48.581 -12.684   0.630
  211    HB1  ALA  33           HB1      ALA  33  49.202 -15.133   0.928
  212    HB2  ALA  33           HB2      ALA  33  50.879 -14.641   0.691
  213    HB3  ALA  33           HB3      ALA  33  49.697 -14.395  -0.596
  214    H    ILE  34           HN       ILE  34  50.932 -11.820   2.779
  215    HA   ILE  34           HA       ILE  34  49.327 -12.795   5.055
  216    HB   ILE  34           HB       ILE  34  52.174 -12.549   5.658
  217   HG12  ILE  34          HG12      ILE  34  51.234 -14.618   3.646
  218   HG13  ILE  34          HG11      ILE  34  52.457 -13.375   3.379
  219   HG21  ILE  34          HG21      ILE  34  51.746 -14.569   6.873
  220   HG22  ILE  34          HG22      ILE  34  50.316 -14.925   5.905
  221   HG23  ILE  34          HG23      ILE  34  50.297 -13.578   7.043
  222   HD11  ILE  34          HD11      ILE  34  53.650 -14.454   5.438
  223   HD12  ILE  34          HD12      ILE  34  53.757 -15.263   3.873
  224   HD13  ILE  34          HD13      ILE  34  52.622 -15.844   5.091
  225    H    TYR  35           HN       TYR  35  51.771 -10.503   3.892
  226    HA   TYR  35           HA       TYR  35  51.420  -8.725   6.140
  227    HB2  TYR  35           HB2      TYR  35  52.926  -8.543   3.534
  228    HB3  TYR  35           HB1      TYR  35  52.810  -7.173   4.639
  229    HD1  TYR  35           HD2      TYR  35  53.456  -7.603   7.121
  230    HD2  TYR  35           HD1      TYR  35  54.561 -10.195   3.878
  231    HE1  TYR  35           HE2      TYR  35  55.273  -8.566   8.508
  232    HE2  TYR  35           HE1      TYR  35  56.377 -11.158   5.265
  233    HH   TYR  35           HH       TYR  35  57.638 -10.782   7.158
  234    H    MET  36           HN       MET  36  49.025  -9.409   4.599
  235    HA   MET  36           HA       MET  36  48.192  -6.664   3.924
  236    HB2  MET  36           HB2      MET  36  47.439  -9.108   2.304
  237    HB3  MET  36           HB1      MET  36  46.979  -7.438   1.974
  238    HG2  MET  36           HG2      MET  36  49.828  -8.475   2.019
  239    HG3  MET  36           HG1      MET  36  48.886  -8.168   0.560
  240    HE1  MET  36           HE1      MET  36  51.780  -5.407   1.306
  241    HE2  MET  36           HE2      MET  36  51.365  -6.755   0.250
  242    HE3  MET  36           HE3      MET  36  51.710  -7.052   1.953
  243    H    LEU  37           HN       LEU  37  46.883  -9.979   4.188
  244    HA   LEU  37           HA       LEU  37  44.421  -8.968   5.347
  245    HB2  LEU  37           HB2      LEU  37  45.181 -11.873   5.185
  246    HB3  LEU  37           HB1      LEU  37  43.579 -11.139   5.095
  247    HG   LEU  37           HG       LEU  37  45.768 -10.969   3.004
  248   HD11  LEU  37          HD11      LEU  37  43.042 -11.910   2.347
  249   HD12  LEU  37          HD12      LEU  37  43.954 -12.968   3.424
  250   HD13  LEU  37          HD13      LEU  37  44.606 -12.548   1.840
  251   HD21  LEU  37          HD21      LEU  37  43.818  -9.803   1.733
  252   HD22  LEU  37          HD22      LEU  37  44.723  -8.855   2.914
  253   HD23  LEU  37          HD23      LEU  37  43.144  -9.518   3.339
  254    H    VAL  38           HN       VAL  38  47.201  -8.909   6.696
  255    HA   VAL  38           HA       VAL  38  46.204  -9.738   9.325
  256    HB   VAL  38           HB       VAL  38  49.009 -10.481   8.541
  257   HG11  VAL  38          HG11      VAL  38  49.016 -11.609  10.537
  258   HG12  VAL  38          HG12      VAL  38  47.313 -12.050  10.412
  259   HG13  VAL  38          HG13      VAL  38  47.769 -10.430  10.941
  260   HG21  VAL  38          HG21      VAL  38  47.594 -11.599   6.899
  261   HG22  VAL  38          HG22      VAL  38  46.489 -12.130   8.166
  262   HG23  VAL  38          HG23      VAL  38  48.125 -12.782   8.093
  263    H    PHE  39           HN       PHE  39  47.862  -7.600   7.315
  264    HA   PHE  39           HA       PHE  39  49.222  -6.275   9.568
  265    HB2  PHE  39           HB2      PHE  39  50.217  -6.834   7.131
  266    HB3  PHE  39           HB1      PHE  39  49.527  -5.244   6.802
  267    HD1  PHE  39           HD1      PHE  39  51.871  -7.106   9.009
  268    HD2  PHE  39           HD2      PHE  39  50.506  -3.253   7.689
  269    HE1  PHE  39           HE1      PHE  39  53.788  -6.032  10.159
  270    HE2  PHE  39           HE2      PHE  39  52.422  -2.179   8.838
  271    HZ   PHE  39           HZ       PHE  39  54.064  -3.568  10.074
  272    H    LEU  40           HN       LEU  40  46.247  -6.264   8.596
  273    HA   LEU  40           HA       LEU  40  45.934  -3.342   8.873
  274    HB2  LEU  40           HB2      LEU  40  44.635  -5.151   6.839
  275    HB3  LEU  40           HB1      LEU  40  43.934  -3.598   7.294
  276    HG   LEU  40           HG       LEU  40  46.835  -3.655   6.585
  277   HD11  LEU  40          HD11      LEU  40  46.162  -4.860   4.701
  278   HD12  LEU  40          HD12      LEU  40  45.944  -3.198   4.153
  279   HD13  LEU  40          HD13      LEU  40  44.553  -4.139   4.691
  280   HD21  LEU  40          HD21      LEU  40  45.283  -1.661   7.341
  281   HD22  LEU  40          HD22      LEU  40  44.763  -1.687   5.656
  282   HD23  LEU  40          HD23      LEU  40  46.460  -1.413   6.052
  283    H    LEU  41           HN       LEU  41  45.778  -5.302  10.919
  284    HA   LEU  41           HA       LEU  41  43.230  -4.665  12.022
  285    HB2  LEU  41           HB2      LEU  41  42.501  -7.102  12.257
  286    HB3  LEU  41           HB1      LEU  41  42.291  -6.365  10.670
  287    HG   LEU  41           HG       LEU  41  44.933  -7.527  10.880
  288   HD11  LEU  41          HD11      LEU  41  42.597  -9.403  11.343
  289   HD12  LEU  41          HD12      LEU  41  43.837  -9.014  12.535
  290   HD13  LEU  41          HD13      LEU  41  44.270  -9.882  11.062
  291   HD21  LEU  41          HD21      LEU  41  42.502  -8.171   9.183
  292   HD22  LEU  41          HD22      LEU  41  44.147  -8.713   8.852
  293   HD23  LEU  41          HD23      LEU  41  43.754  -6.996   8.782
  294    H    GLY  42           HN       GLY  42  46.022  -6.844  12.108
  295    HA2  GLY  42           HA2      GLY  42  45.867  -6.987  15.034
  296    HA3  GLY  42           HA1      GLY  42  46.941  -7.930  14.002
  297    H    THR  43           HN       THR  43  46.598  -4.548  13.413
  298    HA   THR  43           HA       THR  43  48.726  -3.624  15.081
  299    HB   THR  43           HB       THR  43  50.369  -4.544  13.776
  300    HG1  THR  43           HG1      THR  43  50.922  -3.014  12.099
  301   HG21  THR  43          HG21      THR  43  49.944  -4.750  11.197
  302   HG22  THR  43          HG22      THR  43  48.251  -4.536  11.643
  303   HG23  THR  43          HG23      THR  43  49.170  -5.894  12.292
  304    H    THR  44           HN       THR  44  48.268  -2.726  11.705
  305    HA   THR  44           HA       THR  44  47.644  -0.726  10.755
  306    HB   THR  44           HB       THR  44  45.414  -0.298  11.012
  307    HG1  THR  44           HG1      THR  44  45.112  -0.863  13.674
  308   HG21  THR  44          HG21      THR  44  44.278  -2.281  11.518
  309   HG22  THR  44          HG22      THR  44  45.371  -2.683  12.842
  310   HG23  THR  44          HG23      THR  44  45.908  -2.857  11.172
  311    H    GLY  45           HN       GLY  45  49.226  -0.801  13.495
  312    HA2  GLY  45           HA2      GLY  45  50.434   0.823  14.613
  313    HA3  GLY  45           HA1      GLY  45  49.680   2.032  13.580
  314    H    ASN  46           HN       ASN  46  47.745  -0.230  15.390
  315    HA   ASN  46           HA       ASN  46  47.172   1.802  17.441
  316    HB2  ASN  46           HB2      ASN  46  44.767   1.499  17.159
  317    HB3  ASN  46           HB1      ASN  46  45.485   2.061  15.651
  318   HD21  ASN  46          HD21      ASN  46  43.384   1.003  14.767
  319   HD22  ASN  46          HD22      ASN  46  43.458  -0.653  14.400
  320    H    GLY  47           HN       GLY  47  48.190  -1.195  16.833
  321    HA2  GLY  47           HA2      GLY  47  46.728  -2.458  19.069
  322    HA3  GLY  47           HA1      GLY  47  47.604  -3.325  17.812
  323    H    LEU  48           HN       LEU  48  49.959  -1.728  17.823
  324    HA   LEU  48           HA       LEU  48  51.134  -2.631  20.371
  325    HB2  LEU  48           HB2      LEU  48  53.010  -1.743  18.320
  326    HB3  LEU  48           HB1      LEU  48  52.946  -3.270  19.199
  327    HG   LEU  48           HG       LEU  48  51.252  -2.530  16.791
  328   HD11  LEU  48          HD11      LEU  48  53.551  -4.469  17.175
  329   HD12  LEU  48          HD12      LEU  48  53.548  -3.024  16.165
  330   HD13  LEU  48          HD13      LEU  48  52.537  -4.402  15.733
  331   HD21  LEU  48          HD21      LEU  48  49.844  -4.125  17.558
  332   HD22  LEU  48          HD22      LEU  48  50.937  -4.528  18.882
  333   HD23  LEU  48          HD23      LEU  48  51.141  -5.292  17.306
  334    H    VAL  49           HN       VAL  49  49.661  -0.026  19.700
  335    HA   VAL  49           HA       VAL  49  51.815   1.890  20.313
  336    HB   VAL  49           HB       VAL  49  48.955   2.385  19.452
  337   HG11  VAL  49          HG11      VAL  49  49.988   4.705  19.005
  338   HG12  VAL  49          HG12      VAL  49  51.306   4.183  20.055
  339   HG13  VAL  49          HG13      VAL  49  49.662   4.284  20.686
  340   HG21  VAL  49          HG21      VAL  49  50.320   3.260  17.388
  341   HG22  VAL  49          HG22      VAL  49  50.016   1.530  17.543
  342   HG23  VAL  49          HG23      VAL  49  51.584   2.193  17.999
  343    H    LEU  50           HN       LEU  50  48.387   1.478  21.234
  344    HA   LEU  50           HA       LEU  50  49.110   2.343  23.970
  345    HB2  LEU  50           HB2      LEU  50  46.747   3.014  24.193
  346    HB3  LEU  50           HB1      LEU  50  47.530   3.841  22.846
  347    HG   LEU  50           HG       LEU  50  46.581   1.539  21.656
  348   HD11  LEU  50          HD11      LEU  50  44.367   2.560  23.444
  349   HD12  LEU  50          HD12      LEU  50  45.346   1.157  23.875
  350   HD13  LEU  50          HD13      LEU  50  44.360   1.129  22.412
  351   HD21  LEU  50          HD21      LEU  50  45.218   4.237  21.942
  352   HD22  LEU  50          HD22      LEU  50  44.865   3.051  20.685
  353   HD23  LEU  50          HD23      LEU  50  46.450   3.822  20.749
  354    H    TRP  51           HN       TRP  51  47.348  -0.045  22.067
  355    HA   TRP  51           HA       TRP  51  46.229  -1.449  24.279
  356    HB2  TRP  51           HB2      TRP  51  45.200  -1.828  22.182
  357    HB3  TRP  51           HB1      TRP  51  46.741  -2.179  21.400
  358    HD1  TRP  51           HD1      TRP  51  47.343  -4.638  21.188
  359    HE1  TRP  51           HE1      TRP  51  46.551  -6.832  22.287
  360    HE3  TRP  51           HE3      TRP  51  44.127  -2.763  24.684
  361    HZ2  TRP  51           HZ2      TRP  51  44.787  -7.679  24.372
  362    HZ3  TRP  51           HZ3      TRP  51  42.905  -4.285  26.212
  363    HH2  TRP  51           HH2      TRP  51  43.231  -6.738  26.061
  364    H    THR  52           HN       THR  52  49.393  -1.104  23.258
  365    HA   THR  52           HA       THR  52  50.455  -3.695  23.641
  366    HB   THR  52           HB       THR  52  51.775  -1.997  22.538
  367    HG1  THR  52           HG1      THR  52  52.901  -3.535  23.802
  368   HG21  THR  52          HG21      THR  52  52.552  -0.000  23.697
  369   HG22  THR  52          HG22      THR  52  51.753  -0.517  25.182
  370   HG23  THR  52          HG23      THR  52  50.791  -0.066  23.773
  371    H    VAL  53           HN       VAL  53  49.763  -1.045  25.862
  372    HA   VAL  53           HA       VAL  53  51.097  -2.044  28.130
  373    HB   VAL  53           HB       VAL  53  48.524  -0.459  28.153
  374   HG11  VAL  53          HG11      VAL  53  49.352   0.377  30.259
  375   HG12  VAL  53          HG12      VAL  53  50.912  -0.408  30.017
  376   HG13  VAL  53          HG13      VAL  53  49.473  -1.381  30.310
  377   HG21  VAL  53          HG21      VAL  53  50.278   1.484  28.264
  378   HG22  VAL  53          HG22      VAL  53  49.853   0.808  26.692
  379   HG23  VAL  53          HG23      VAL  53  51.352   0.324  27.483
  380    H    PHE  54           HN       PHE  54  47.554  -2.012  27.743
  381    HA   PHE  54           HA       PHE  54  46.853  -3.798  29.672
  382    HB2  PHE  54           HB2      PHE  54  45.682  -2.972  27.100
  383    HB3  PHE  54           HB1      PHE  54  45.122  -4.537  27.691
  384    HD1  PHE  54           HD2      PHE  54  45.681  -1.004  28.790
  385    HD2  PHE  54           HD1      PHE  54  43.494  -4.653  29.382
  386    HE1  PHE  54           HE2      PHE  54  44.225   0.137  30.441
  387    HE2  PHE  54           HE1      PHE  54  42.037  -3.511  31.032
  388    HZ   PHE  54           HZ       PHE  54  42.402  -1.117  31.563
  389    H    ARG  55           HN       ARG  55  48.584  -4.481  26.767
  390    HA   ARG  55           HA       ARG  55  48.053  -7.332  26.807
  391    HB2  ARG  55           HB2      ARG  55  48.594  -5.867  24.740
  392    HB3  ARG  55           HB1      ARG  55  50.269  -5.997  25.271
  393    HG2  ARG  55           HG2      ARG  55  50.100  -7.837  23.855
  394    HG3  ARG  55           HG1      ARG  55  49.735  -8.564  25.418
  395    HD2  ARG  55           HD2      ARG  55  47.250  -7.731  24.648
  396    HD3  ARG  55           HD1      ARG  55  47.970  -8.119  23.089
  397    HE   ARG  55           HE       ARG  55  47.345  -9.981  25.233
  398   HH11  ARG  55          HH21      ARG  55  49.050  -9.334  22.292
  399   HH12  ARG  55          HH22      ARG  55  49.219 -11.003  21.862
  400   HH21  ARG  55          HH11      ARG  55  47.560 -12.173  24.673
  401   HH22  ARG  55          HH12      ARG  55  48.377 -12.610  23.209
  402    H    LYS  56           HN       LYS  56  50.921  -5.269  27.329
  403    HA   LYS  56           HA       LYS  56  52.615  -7.347  28.217
  404    HB2  LYS  56           HB2      LYS  56  52.642  -4.355  28.532
  405    HB3  LYS  56           HB1      LYS  56  53.851  -5.360  29.331
  406    HG2  LYS  56           HG2      LYS  56  54.885  -5.911  27.371
  407    HG3  LYS  56           HG1      LYS  56  53.369  -5.973  26.472
  408    HD2  LYS  56           HD2      LYS  56  54.875  -4.079  25.783
  409    HD3  LYS  56           HD1      LYS  56  53.281  -3.558  26.329
  410    HE2  LYS  56           HE2      LYS  56  54.106  -2.549  28.205
  411    HE3  LYS  56           HE1      LYS  56  55.345  -3.781  28.445
  412    HZ1  LYS  56           HZ1      LYS  56  55.801  -1.297  27.511
  413    HZ2  LYS  56           HZ2      LYS  56  55.706  -2.191  26.069
  414    HZ3  LYS  56           HZ3      LYS  56  56.828  -2.625  27.268
  415    H    LYS  57           HN       LYS  57  50.348  -5.238  29.903
  416    HA   LYS  57           HA       LYS  57  51.068  -5.641  32.542
  417    HB2  LYS  57           HB2      LYS  57  48.272  -5.497  31.387
  418    HB3  LYS  57           HB1      LYS  57  48.684  -5.271  33.087
  419    HG2  LYS  57           HG2      LYS  57  50.151  -3.627  31.069
  420    HG3  LYS  57           HG1      LYS  57  48.478  -3.194  31.426
  421    HD2  LYS  57           HD2      LYS  57  50.354  -3.729  33.704
  422    HD3  LYS  57           HD1      LYS  57  50.441  -2.177  32.870
  423    HE2  LYS  57           HE2      LYS  57  48.338  -1.524  33.568
  424    HE3  LYS  57           HE1      LYS  57  47.741  -3.181  33.664
  425    HZ1  LYS  57           HZ1      LYS  57  48.666  -1.619  35.742
  426    HZ2  LYS  57           HZ2      LYS  57  49.876  -2.783  35.483
  427    HZ3  LYS  57           HZ3      LYS  57  48.278  -3.269  35.797
  428    H    GLY  58           HN       GLY  58  49.277  -7.783  30.383
  429    HA2  GLY  58           HA2      GLY  58  49.949 -10.084  31.970
  430    HA3  GLY  58           HA1      GLY  58  48.242  -9.665  32.083
  431    H    HIS  59           HN       HIS  59  50.812 -10.691  29.919
  432    HA   HIS  59           HA       HIS  59  49.436 -10.793  27.496
  433    HB2  HIS  59           HB2      HIS  59  51.839 -12.014  28.633
  434    HB3  HIS  59           HB1      HIS  59  51.046 -13.036  27.433
  435    HD2  HIS  59           HD2      HIS  59  53.354  -9.987  27.510
  436    HE1  HIS  59           HE1      HIS  59  51.693 -10.091  23.630
  437    HE2  HIS  59           HE2      HIS  59  53.480  -9.025  25.086
  438    H    HIS  60           HN       HIS  60  48.776 -12.460  30.349
  439    HA   HIS  60           HA       HIS  60  47.491 -14.717  28.974
  440    HB2  HIS  60           HB2      HIS  60  48.676 -14.305  31.586
  441    HB3  HIS  60           HB1      HIS  60  47.037 -14.941  31.726
  442    HD2  HIS  60           HD2      HIS  60  50.028 -15.933  29.261
  443    HE1  HIS  60           HE1      HIS  60  48.259 -19.436  30.815
  444    HE2  HIS  60           HE2      HIS  60  50.063 -18.544  29.266
  445    H    HIS  61           HN       HIS  61  46.503 -12.890  31.859
  446    HA   HIS  61           HA       HIS  61  44.205 -11.710  30.667
  447    HB2  HIS  61           HB2      HIS  61  43.269 -13.901  30.561
  448    HB3  HIS  61           HB1      HIS  61  43.823 -14.289  32.190
  449    HD2  HIS  61           HD2      HIS  61  42.024 -10.854  31.578
  450    HE1  HIS  61           HE1      HIS  61  39.404 -13.325  33.780
  451    HE2  HIS  61           HE2      HIS  61  39.769 -10.976  32.886
  452    H    HIS  62           HN       HIS  62  44.020  -9.913  31.827
  453    HA   HIS  62           HA       HIS  62  44.766  -9.959  34.674
  454    HB2  HIS  62           HB2      HIS  62  45.534  -8.233  32.730
  455    HB3  HIS  62           HB1      HIS  62  44.124  -7.385  33.367
  456    HD2  HIS  62           HD2      HIS  62  44.773  -8.533  36.564
  457    HE1  HIS  62           HE1      HIS  62  48.159  -6.054  36.104
  458    HE2  HIS  62           HE2      HIS  62  46.708  -7.280  37.789
  459    H    HIS  63           HN       HIS  63  42.363  -8.191  32.706
  460    HA   HIS  63           HA       HIS  63  40.307  -8.882  34.697
  461    HB2  HIS  63           HB2      HIS  63  40.621  -6.116  33.529
  462    HB3  HIS  63           HB1      HIS  63  39.521  -6.627  34.810
  463    HD2  HIS  63           HD2      HIS  63  43.034  -5.168  34.493
  464    HE1  HIS  63           HE1      HIS  63  42.828  -6.846  38.361
  465    HE2  HIS  63           HE2      HIS  63  44.188  -5.345  36.829
  466    H    HIS  64           HN       HIS  64  38.530  -6.981  33.315
  467    HA   HIS  64           HA       HIS  64  37.053  -8.591  31.704
  468    HB2  HIS  64           HB2      HIS  64  37.523  -5.639  31.217
  469    HB3  HIS  64           HB1      HIS  64  36.146  -6.580  30.642
  470    HD2  HIS  64           HD2      HIS  64  35.834  -4.104  32.958
  471    HE1  HIS  64           HE1      HIS  64  34.846  -7.329  35.495
  472    HE2  HIS  64           HE2      HIS  64  34.730  -4.808  35.216
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  85.374   1.042  26.656
    2    H2   MET   1           HT2      MET   1  84.411   0.730  28.022
    3    H3   MET   1           HT3      MET   1  83.743   1.508  26.668
    4    HA   MET   1           HA       MET   1  84.872  -1.219  26.501
    5    HB2  MET   1           HB2      MET   1  81.984  -0.457  27.030
    6    HB3  MET   1           HB1      MET   1  82.618  -2.092  26.833
    7    HG2  MET   1           HG2      MET   1  82.659  -1.981  29.133
    8    HG3  MET   1           HG1      MET   1  84.241  -1.275  28.804
    9    HE1  MET   1           HE1      MET   1  80.792   0.482  30.976
   10    HE2  MET   1           HE2      MET   1  81.798  -0.934  31.272
   11    HE3  MET   1           HE3      MET   1  80.693  -0.917  29.899
   12    H    GLU   2           HN       GLU   2  82.507   1.196  25.374
   13    HA   GLU   2           HA       GLU   2  81.823   1.778  23.259
   14    HB2  GLU   2           HB2      GLU   2  84.467   1.486  22.988
   15    HB3  GLU   2           HB1      GLU   2  83.949   0.156  21.950
   16    HG2  GLU   2           HG2      GLU   2  84.062   2.030  20.503
   17    HG3  GLU   2           HG1      GLU   2  82.347   1.851  20.866
   18    H    GLU   3           HN       GLU   3  81.795  -1.261  24.477
   19    HA   GLU   3           HA       GLU   3  80.704  -3.215  23.952
   20    HB2  GLU   3           HB2      GLU   3  79.102  -1.342  22.190
   21    HB3  GLU   3           HB1      GLU   3  78.609  -2.961  22.688
   22    HG2  GLU   3           HG2      GLU   3  77.533  -1.509  24.224
   23    HG3  GLU   3           HG1      GLU   3  78.929  -2.133  25.102
   24    H    GLY   4           HN       GLY   4  82.843  -1.928  22.035
   25    HA2  GLY   4           HA2      GLY   4  83.829  -2.429  20.004
   26    HA3  GLY   4           HA1      GLY   4  83.413  -4.081  20.449
   27    H    GLY   5           HN       GLY   5  82.425  -1.258  18.624
   28    HA2  GLY   5           HA2      GLY   5  80.254  -2.799  17.352
   29    HA3  GLY   5           HA1      GLY   5  80.424  -1.046  17.310
   30    H    ASP   6           HN       ASP   6  83.314  -2.835  16.871
   31    HA   ASP   6           HA       ASP   6  83.348  -2.069  14.030
   32    HB2  ASP   6           HB2      ASP   6  85.866  -2.979  14.585
   33    HB3  ASP   6           HB1      ASP   6  85.358  -1.297  14.725
   34    H    PHE   7           HN       PHE   7  83.590  -4.831  16.183
   35    HA   PHE   7           HA       PHE   7  83.541  -6.615  13.821
   36    HB2  PHE   7           HB2      PHE   7  85.722  -6.597  15.156
   37    HB3  PHE   7           HB1      PHE   7  84.801  -7.341  16.464
   38    HD1  PHE   7           HD1      PHE   7  85.691  -7.735  12.858
   39    HD2  PHE   7           HD2      PHE   7  84.334  -9.657  16.452
   40    HE1  PHE   7           HE1      PHE   7  85.912  -9.947  11.759
   41    HE2  PHE   7           HE2      PHE   7  84.556 -11.869  15.353
   42    HZ   PHE   7           HZ       PHE   7  85.346 -12.014  13.007
   43    H    ASP   8           HN       ASP   8  81.220  -5.624  15.005
   44    HA   ASP   8           HA       ASP   8  80.019  -8.117  15.928
   45    HB2  ASP   8           HB2      ASP   8  79.942  -5.567  17.555
   46    HB3  ASP   8           HB1      ASP   8  78.908  -6.965  17.845
   47    H    ASN   9           HN       ASN   9  79.694  -6.922  13.480
   48    HA   ASN   9           HA       ASN   9  76.854  -6.241  13.568
   49    HB2  ASN   9           HB2      ASN   9  78.986  -4.426  12.441
   50    HB3  ASN   9           HB1      ASN   9  77.298  -4.328  11.942
   51   HD21  ASN   9          HD21      ASN   9  75.703  -4.196  13.935
   52   HD22  ASN   9          HD22      ASN   9  76.200  -3.187  15.207
   53    H    TYR  10           HN       TYR  10  79.637  -6.361  11.328
   54    HA   TYR  10           HA       TYR  10  78.051  -7.379   9.167
   55    HB2  TYR  10           HB2      TYR  10  81.057  -7.302   9.514
   56    HB3  TYR  10           HB1      TYR  10  80.203  -7.625   8.005
   57    HD1  TYR  10           HD2      TYR  10  80.754  -5.066  10.652
   58    HD2  TYR  10           HD1      TYR  10  79.307  -5.856   6.685
   59    HE1  TYR  10           HE2      TYR  10  80.564  -2.629  10.236
   60    HE2  TYR  10           HE1      TYR  10  79.117  -3.418   6.270
   61    HH   TYR  10           HH       TYR  10  80.392  -1.066   8.520
   62    H    TYR  11           HN       TYR  11  78.482  -8.857  11.887
   63    HA   TYR  11           HA       TYR  11  78.804 -11.506  10.641
   64    HB2  TYR  11           HB2      TYR  11  80.177 -10.562  13.168
   65    HB3  TYR  11           HB1      TYR  11  80.105 -12.243  12.642
   66    HD1  TYR  11           HD1      TYR  11  81.291  -8.849  11.684
   67    HD2  TYR  11           HD2      TYR  11  81.539 -13.070  10.927
   68    HE1  TYR  11           HE1      TYR  11  83.235  -8.467  10.190
   69    HE2  TYR  11           HE2      TYR  11  83.481 -12.688   9.433
   70    HH   TYR  11           HH       TYR  11  84.407  -9.530   8.394
   71    H    GLY  12           HN       GLY  12  76.611 -11.922  10.783
   72    HA2  GLY  12           HA2      GLY  12  74.820 -12.944  11.860
   73    HA3  GLY  12           HA1      GLY  12  75.654 -12.722  13.395
   74    H    ALA  13           HN       ALA  13  75.103 -10.106  11.129
   75    HA   ALA  13           HA       ALA  13  72.679  -9.130  12.221
   76    HB1  ALA  13           HB1      ALA  13  73.930  -8.715  14.241
   77    HB2  ALA  13           HB2      ALA  13  73.642  -7.166  13.450
   78    HB3  ALA  13           HB3      ALA  13  75.225  -7.934  13.335
   79    H    ASP  14           HN       ASP  14  72.711  -9.130   9.797
   80    HA   ASP  14           HA       ASP  14  73.113  -6.442   8.855
   81    HB2  ASP  14           HB2      ASP  14  74.619  -7.118   6.965
   82    HB3  ASP  14           HB1      ASP  14  75.387  -7.173   8.551
   83    H    ASN  15           HN       ASN  15  70.755  -7.475   8.960
   84    HA   ASN  15           HA       ASN  15  68.892  -8.165   7.800
   85    HB2  ASN  15           HB2      ASN  15  70.509  -7.276   5.402
   86    HB3  ASN  15           HB1      ASN  15  68.755  -7.419   5.496
   87   HD21  ASN  15          HD21      ASN  15  68.834  -5.016   4.910
   88   HD22  ASN  15          HD22      ASN  15  69.054  -3.900   6.169
   89    H    GLN  16           HN       GLN  16  69.733 -10.385   8.472
   90    HA   GLN  16           HA       GLN  16  71.004 -12.065   6.564
   91    HB2  GLN  16           HB2      GLN  16  70.229 -13.913   8.026
   92    HB3  GLN  16           HB1      GLN  16  71.011 -12.621   8.938
   93    HG2  GLN  16           HG2      GLN  16  68.303 -11.883   8.786
   94    HG3  GLN  16           HG1      GLN  16  68.294 -13.609   9.141
   95   HE21  GLN  16          HE21      GLN  16  70.309 -10.788  10.185
   96   HE22  GLN  16          HE22      GLN  16  70.238 -11.175  11.836
   97    H    SER  17           HN       SER  17  67.920 -10.732   6.640
   98    HA   SER  17           HA       SER  17  66.682 -12.954   5.171
   99    HB2  SER  17           HB2      SER  17  65.255 -12.051   6.858
  100    HB3  SER  17           HB1      SER  17  65.590 -10.398   6.354
  101    HG   SER  17           HG       SER  17  64.636 -11.052   4.287
  102    H    GLU  18           HN       GLU  18  68.583 -10.361   4.479
  103    HA   GLU  18           HA       GLU  18  67.324  -9.071   2.329
  104    HB2  GLU  18           HB2      GLU  18  69.559  -8.526   3.538
  105    HB3  GLU  18           HB1      GLU  18  70.279  -9.620   2.355
  106    HG2  GLU  18           HG2      GLU  18  69.103  -8.263   0.556
  107    HG3  GLU  18           HG1      GLU  18  68.719  -7.086   1.810
  108    H    CYS  19           HN       CYS  19  66.249 -10.490   0.974
  109    HA   CYS  19           HA       CYS  19  67.982 -12.016  -0.843
  110    HB2  CYS  19           HB2      CYS  19  66.713 -14.005  -0.694
  111    HB3  CYS  19           HB1      CYS  19  66.964 -13.510   0.980
  112    HG   CYS  19           HG       CYS  19  64.458 -12.265   0.487
  113    H    GLU  20           HN       GLU  20  66.121  -9.526  -0.704
  114    HA   GLU  20           HA       GLU  20  64.092 -10.130  -2.679
  115    HB2  GLU  20           HB2      GLU  20  63.868  -7.554  -2.624
  116    HB3  GLU  20           HB1      GLU  20  63.436  -8.453  -1.169
  117    HG2  GLU  20           HG2      GLU  20  65.296  -7.741  -0.005
  118    HG3  GLU  20           HG1      GLU  20  66.276  -7.580  -1.462
  119    H    TYR  21           HN       TYR  21  66.233 -10.979  -3.910
  120    HA   TYR  21           HA       TYR  21  66.715  -8.949  -5.978
  121    HB2  TYR  21           HB2      TYR  21  68.694  -9.887  -4.097
  122    HB3  TYR  21           HB1      TYR  21  69.139 -10.357  -5.737
  123    HD1  TYR  21           HD1      TYR  21  68.129  -7.460  -3.623
  124    HD2  TYR  21           HD2      TYR  21  69.900  -8.751  -7.317
  125    HE1  TYR  21           HE1      TYR  21  68.825  -5.128  -4.105
  126    HE2  TYR  21           HE2      TYR  21  70.596  -6.420  -7.798
  127    HH   TYR  21           HH       TYR  21  69.468  -3.738  -5.904
  128    H    THR  22           HN       THR  22  66.884 -12.317  -4.939
  129    HA   THR  22           HA       THR  22  66.304 -13.133  -7.706
  130    HB   THR  22           HB       THR  22  67.918 -14.967  -7.563
  131    HG1  THR  22           HG1      THR  22  69.376 -14.133  -5.509
  132   HG21  THR  22          HG21      THR  22  69.762 -13.682  -8.111
  133   HG22  THR  22          HG22      THR  22  69.520 -12.573  -6.763
  134   HG23  THR  22          HG23      THR  22  68.500 -12.454  -8.196
  135    H    ASP  23           HN       ASP  23  65.102 -12.984  -4.797
  136    HA   ASP  23           HA       ASP  23  63.754 -15.592  -5.013
  137    HB2  ASP  23           HB2      ASP  23  65.668 -15.289  -3.154
  138    HB3  ASP  23           HB1      ASP  23  64.310 -14.595  -2.270
  139    H    TRP  24           HN       TRP  24  63.082 -12.753  -5.660
  140    HA   TRP  24           HA       TRP  24  60.914 -12.235  -3.738
  141    HB2  TRP  24           HB2      TRP  24  60.769 -10.033  -4.745
  142    HB3  TRP  24           HB1      TRP  24  62.455 -10.369  -4.350
  143    HD1  TRP  24           HD1      TRP  24  64.120 -10.907  -6.359
  144    HE1  TRP  24           HE1      TRP  24  63.987 -10.383  -8.881
  145    HE3  TRP  24           HE3      TRP  24  59.157  -9.773  -6.767
  146    HZ2  TRP  24           HZ2      TRP  24  62.035  -9.589 -10.814
  147    HZ3  TRP  24           HZ3      TRP  24  58.188  -9.137  -8.957
  148    HH2  TRP  24           HH2      TRP  24  59.620  -9.044 -10.979
  149    H    LYS  25           HN       LYS  25  61.483 -13.655  -6.757
  150    HA   LYS  25           HA       LYS  25  58.727 -13.187  -7.677
  151    HB2  LYS  25           HB2      LYS  25  59.715 -14.538  -9.713
  152    HB3  LYS  25           HB1      LYS  25  60.091 -12.827  -9.513
  153    HG2  LYS  25           HG2      LYS  25  62.119 -14.191  -9.993
  154    HG3  LYS  25           HG1      LYS  25  62.212 -13.384  -8.429
  155    HD2  LYS  25           HD2      LYS  25  61.741 -15.387  -7.246
  156    HD3  LYS  25           HD1      LYS  25  61.163 -16.204  -8.699
  157    HE2  LYS  25           HE2      LYS  25  63.365 -16.364  -9.604
  158    HE3  LYS  25           HE1      LYS  25  64.012 -15.233  -8.415
  159    HZ1  LYS  25           HZ1      LYS  25  64.219 -17.838  -8.137
  160    HZ2  LYS  25           HZ2      LYS  25  62.702 -17.633  -7.400
  161    HZ3  LYS  25           HZ3      LYS  25  64.058 -16.801  -6.805
  162    H    SER  26           HN       SER  26  59.998 -15.149  -5.554
  163    HA   SER  26           HA       SER  26  58.247 -17.384  -6.305
  164    HB2  SER  26           HB2      SER  26  60.411 -18.146  -7.047
  165    HB3  SER  26           HB1      SER  26  61.160 -17.647  -5.534
  166    HG   SER  26           HG       SER  26  60.714 -19.627  -4.965
  167    H    SER  27           HN       SER  27  60.663 -17.337  -3.750
  168    HA   SER  27           HA       SER  27  58.665 -17.876  -1.753
  169    HB2  SER  27           HB2      SER  27  61.475 -18.165  -1.987
  170    HB3  SER  27           HB1      SER  27  61.181 -17.120  -0.600
  171    HG   SER  27           HG       SER  27  59.498 -19.304  -0.859
  172    H    GLY  28           HN       GLY  28  58.839 -15.201  -3.272
  173    HA2  GLY  28           HA2      GLY  28  58.257 -13.549  -0.934
  174    HA3  GLY  28           HA1      GLY  28  59.572 -12.999  -1.969
  175    H    ALA  29           HN       ALA  29  56.541 -14.585  -2.905
  176    HA   ALA  29           HA       ALA  29  55.636 -12.081  -4.161
  177    HB1  ALA  29           HB1      ALA  29  55.336 -14.638  -5.682
  178    HB2  ALA  29           HB2      ALA  29  56.886 -13.798  -5.730
  179    HB3  ALA  29           HB3      ALA  29  55.423 -12.981  -6.280
  180    H    LEU  30           HN       LEU  30  55.009 -14.883  -2.381
  181    HA   LEU  30           HA       LEU  30  52.087 -14.591  -2.755
  182    HB2  LEU  30           HB2      LEU  30  53.496 -16.976  -1.556
  183    HB3  LEU  30           HB1      LEU  30  51.833 -16.873  -2.135
  184    HG   LEU  30           HG       LEU  30  53.251 -16.115  -4.364
  185   HD11  LEU  30          HD11      LEU  30  54.777 -18.386  -3.057
  186   HD12  LEU  30          HD12      LEU  30  55.361 -16.725  -3.141
  187   HD13  LEU  30          HD13      LEU  30  55.112 -17.648  -4.624
  188   HD21  LEU  30          HD21      LEU  30  51.406 -17.689  -4.390
  189   HD22  LEU  30          HD22      LEU  30  52.342 -18.869  -3.472
  190   HD23  LEU  30          HD23      LEU  30  52.800 -18.477  -5.129
  191    H    ILE  31           HN       ILE  31  54.730 -14.679  -0.459
  192    HA   ILE  31           HA       ILE  31  53.014 -14.600   1.855
  193    HB   ILE  31           HB       ILE  31  55.931 -14.666   1.341
  194   HG12  ILE  31          HG12      ILE  31  55.815 -16.319   3.137
  195   HG13  ILE  31          HG11      ILE  31  54.149 -15.857   3.485
  196   HG21  ILE  31          HG21      ILE  31  56.326 -14.048   3.783
  197   HG22  ILE  31          HG22      ILE  31  54.715 -13.337   3.780
  198   HG23  ILE  31          HG23      ILE  31  55.967 -12.696   2.712
  199   HD11  ILE  31          HD11      ILE  31  54.742 -17.923   1.877
  200   HD12  ILE  31          HD12      ILE  31  54.779 -16.631   0.677
  201   HD13  ILE  31          HD13      ILE  31  53.317 -16.916   1.620
  202    HA   PRO  32           HA       PRO  32  54.127  -9.995   1.784
  203    HB2  PRO  32           HB2      PRO  32  55.219  -8.891  -0.436
  204    HB3  PRO  32           HB1      PRO  32  56.195  -9.711   0.796
  205    HG2  PRO  32           HG2      PRO  32  55.431 -10.605  -1.902
  206    HG3  PRO  32           HG1      PRO  32  56.836 -11.041  -0.919
  207    HD2  PRO  32           HD2      PRO  32  54.448 -12.562  -1.282
  208    HD3  PRO  32           HD1      PRO  32  55.796 -12.927  -0.187
  209    H    ALA  33           HN       ALA  33  51.959 -11.548   0.302
  210    HA   ALA  33           HA       ALA  33  50.604  -9.191  -0.844
  211    HB1  ALA  33           HB1      ALA  33  49.733 -11.583  -2.174
  212    HB2  ALA  33           HB2      ALA  33  51.485 -11.440  -2.317
  213    HB3  ALA  33           HB3      ALA  33  50.444 -10.128  -2.872
  214    H    ILE  34           HN       ILE  34  50.598 -11.133   1.645
  215    HA   ILE  34           HA       ILE  34  47.664 -11.183   1.835
  216    HB   ILE  34           HB       ILE  34  48.654 -13.475   3.201
  217   HG12  ILE  34          HG12      ILE  34  49.491 -13.325   0.285
  218   HG13  ILE  34          HG11      ILE  34  50.597 -13.324   1.660
  219   HG21  ILE  34          HG21      ILE  34  47.086 -14.627   1.721
  220   HG22  ILE  34          HG22      ILE  34  47.067 -13.246   0.624
  221   HG23  ILE  34          HG23      ILE  34  46.380 -13.098   2.242
  222   HD11  ILE  34          HD11      ILE  34  48.843 -15.521   2.030
  223   HD12  ILE  34          HD12      ILE  34  50.564 -15.571   1.649
  224   HD13  ILE  34          HD13      ILE  34  49.372 -15.572   0.349
  225    H    TYR  35           HN       TYR  35  50.791 -11.467   3.466
  226    HA   TYR  35           HA       TYR  35  49.732 -11.108   6.105
  227    HB2  TYR  35           HB2      TYR  35  52.438 -11.229   4.863
  228    HB3  TYR  35           HB1      TYR  35  52.298 -10.460   6.444
  229    HD1  TYR  35           HD1      TYR  35  51.735 -13.596   4.551
  230    HD2  TYR  35           HD2      TYR  35  51.776 -11.730   8.420
  231    HE1  TYR  35           HE1      TYR  35  51.609 -15.826   5.629
  232    HE2  TYR  35           HE2      TYR  35  51.650 -13.961   9.498
  233    HH   TYR  35           HH       TYR  35  52.207 -16.308   8.932
  234    H    MET  36           HN       MET  36  49.498  -9.048   3.701
  235    HA   MET  36           HA       MET  36  50.377  -6.662   5.190
  236    HB2  MET  36           HB2      MET  36  49.595  -7.074   2.299
  237    HB3  MET  36           HB1      MET  36  49.903  -5.488   3.009
  238    HG2  MET  36           HG2      MET  36  51.951  -7.634   3.403
  239    HG3  MET  36           HG1      MET  36  51.855  -6.851   1.825
  240    HE1  MET  36           HE1      MET  36  54.854  -5.409   4.107
  241    HE2  MET  36           HE2      MET  36  54.426  -6.644   2.926
  242    HE3  MET  36           HE3      MET  36  53.994  -6.867   4.619
  243    H    LEU  37           HN       LEU  37  47.628  -7.514   3.073
  244    HA   LEU  37           HA       LEU  37  45.854  -5.573   3.917
  245    HB2  LEU  37           HB2      LEU  37  45.264  -8.420   3.071
  246    HB3  LEU  37           HB1      LEU  37  44.056  -7.140   3.196
  247    HG   LEU  37           HG       LEU  37  46.445  -6.393   1.641
  248   HD11  LEU  37          HD11      LEU  37  44.615  -8.638   0.764
  249   HD12  LEU  37          HD12      LEU  37  46.376  -8.654   0.852
  250   HD13  LEU  37          HD13      LEU  37  45.563  -7.680  -0.373
  251   HD21  LEU  37          HD21      LEU  37  43.472  -6.336   1.026
  252   HD22  LEU  37          HD22      LEU  37  44.733  -5.442   0.176
  253   HD23  LEU  37          HD23      LEU  37  44.349  -5.047   1.852
  254    H    VAL  38           HN       VAL  38  47.048  -8.250   5.681
  255    HA   VAL  38           HA       VAL  38  44.818  -8.284   7.567
  256    HB   VAL  38           HB       VAL  38  47.434  -9.809   7.598
  257   HG11  VAL  38          HG11      VAL  38  46.808 -10.383   9.684
  258   HG12  VAL  38          HG12      VAL  38  45.383 -11.156   8.990
  259   HG13  VAL  38          HG13      VAL  38  45.301  -9.478   9.527
  260   HG21  VAL  38          HG21      VAL  38  44.671 -10.786   6.829
  261   HG22  VAL  38          HG22      VAL  38  46.202 -11.642   6.649
  262   HG23  VAL  38          HG23      VAL  38  45.855 -10.234   5.644
  263    H    PHE  39           HN       PHE  39  48.354  -7.799   7.761
  264    HA   PHE  39           HA       PHE  39  48.573  -6.931  10.359
  265    HB2  PHE  39           HB2      PHE  39  50.242  -6.991   8.140
  266    HB3  PHE  39           HB1      PHE  39  50.176  -5.282   8.567
  267    HD1  PHE  39           HD2      PHE  39  50.772  -4.547  10.885
  268    HD2  PHE  39           HD1      PHE  39  51.341  -8.590   9.549
  269    HE1  PHE  39           HE2      PHE  39  52.298  -4.963  12.795
  270    HE2  PHE  39           HE1      PHE  39  52.867  -9.006  11.459
  271    HZ   PHE  39           HZ       PHE  39  53.345  -7.193  13.083
  272    H    LEU  40           HN       LEU  40  46.879  -5.428   7.819
  273    HA   LEU  40           HA       LEU  40  46.655  -2.919   9.377
  274    HB2  LEU  40           HB2      LEU  40  46.261  -3.259   6.396
  275    HB3  LEU  40           HB1      LEU  40  46.247  -1.744   7.300
  276    HG   LEU  40           HG       LEU  40  48.619  -3.621   7.059
  277   HD11  LEU  40          HD11      LEU  40  49.585  -1.952   5.607
  278   HD12  LEU  40          HD12      LEU  40  48.237  -0.850   5.892
  279   HD13  LEU  40          HD13      LEU  40  47.984  -2.337   4.977
  280   HD21  LEU  40          HD21      LEU  40  48.081  -1.096   8.595
  281   HD22  LEU  40          HD22      LEU  40  49.708  -1.399   7.989
  282   HD23  LEU  40          HD23      LEU  40  48.955  -2.542   9.100
  283    H    LEU  41           HN       LEU  41  45.096  -5.159   9.984
  284    HA   LEU  41           HA       LEU  41  42.433  -4.128   9.314
  285    HB2  LEU  41           HB2      LEU  41  43.463  -6.447   8.135
  286    HB3  LEU  41           HB1      LEU  41  42.442  -7.033   9.443
  287    HG   LEU  41           HG       LEU  41  41.099  -6.797   7.430
  288   HD11  LEU  41          HD11      LEU  41  40.459  -5.775   9.885
  289   HD12  LEU  41          HD12      LEU  41  39.325  -5.916   8.541
  290   HD13  LEU  41          HD13      LEU  41  40.152  -4.387   8.841
  291   HD21  LEU  41          HD21      LEU  41  41.266  -3.859   7.293
  292   HD22  LEU  41          HD22      LEU  41  41.234  -5.044   5.989
  293   HD23  LEU  41          HD23      LEU  41  42.749  -4.682   6.812
  294    H    GLY  42           HN       GLY  42  44.340  -6.408  11.260
  295    HA2  GLY  42           HA2      GLY  42  42.323  -6.509  13.345
  296    HA3  GLY  42           HA1      GLY  42  43.891  -7.309  13.364
  297    H    THR  43           HN       THR  43  44.803  -4.400  12.480
  298    HA   THR  43           HA       THR  43  44.788  -3.201  15.177
  299    HB   THR  43           HB       THR  43  46.940  -3.958  15.306
  300    HG1  THR  43           HG1      THR  43  47.048  -1.665  15.038
  301   HG21  THR  43          HG21      THR  43  48.331  -4.197  13.111
  302   HG22  THR  43          HG22      THR  43  46.768  -4.074  12.306
  303   HG23  THR  43          HG23      THR  43  47.070  -5.382  13.450
  304    H    THR  44           HN       THR  44  45.747  -2.676  11.786
  305    HA   THR  44           HA       THR  44  45.823  -0.726  10.539
  306    HB   THR  44           HB       THR  44  43.714  -0.310   9.861
  307    HG1  THR  44           HG1      THR  44  43.208   1.254  11.270
  308   HG21  THR  44          HG21      THR  44  42.118  -1.953  10.483
  309   HG22  THR  44          HG22      THR  44  42.789  -2.103  12.107
  310   HG23  THR  44          HG23      THR  44  43.684  -2.724  10.722
  311    H    GLY  45           HN       GLY  45  46.658  -0.501  13.448
  312    HA2  GLY  45           HA2      GLY  45  47.761   1.408  14.356
  313    HA3  GLY  45           HA1      GLY  45  46.594   2.439  13.534
  314    H    ASN  46           HN       ASN  46  45.676  -0.412  15.353
  315    HA   ASN  46           HA       ASN  46  44.714   1.277  17.569
  316    HB2  ASN  46           HB2      ASN  46  43.051  -0.840  16.187
  317    HB3  ASN  46           HB1      ASN  46  42.554   0.159  17.551
  318   HD21  ASN  46          HD21      ASN  46  42.869   0.067  14.084
  319   HD22  ASN  46          HD22      ASN  46  42.333   1.651  13.794
  320    H    GLY  47           HN       GLY  47  45.568  -1.907  16.337
  321    HA2  GLY  47           HA2      GLY  47  45.403  -3.172  18.938
  322    HA3  GLY  47           HA1      GLY  47  45.991  -3.907  17.449
  323    H    LEU  48           HN       LEU  48  47.547  -1.048  17.595
  324    HA   LEU  48           HA       LEU  48  49.953  -2.291  18.721
  325    HB2  LEU  48           HB2      LEU  48  49.937   0.424  17.458
  326    HB3  LEU  48           HB1      LEU  48  51.194  -0.812  17.438
  327    HG   LEU  48           HG       LEU  48  48.562  -0.890  15.932
  328   HD11  LEU  48          HD11      LEU  48  49.731   0.032  14.247
  329   HD12  LEU  48          HD12      LEU  48  50.910  -1.277  14.334
  330   HD13  LEU  48          HD13      LEU  48  51.131   0.176  15.309
  331   HD21  LEU  48          HD21      LEU  48  48.875  -3.142  16.354
  332   HD22  LEU  48          HD22      LEU  48  50.616  -2.966  16.572
  333   HD23  LEU  48          HD23      LEU  48  49.927  -2.973  14.949
  334    H    VAL  49           HN       VAL  49  47.635   0.220  19.346
  335    HA   VAL  49           HA       VAL  49  49.219   1.659  21.260
  336    HB   VAL  49           HB       VAL  49  46.208   1.656  21.086
  337   HG11  VAL  49          HG11      VAL  49  47.215   2.879  22.961
  338   HG12  VAL  49          HG12      VAL  49  46.538   4.014  21.794
  339   HG13  VAL  49          HG13      VAL  49  48.280   3.738  21.849
  340   HG21  VAL  49          HG21      VAL  49  48.217   3.155  19.373
  341   HG22  VAL  49          HG22      VAL  49  46.482   3.471  19.401
  342   HG23  VAL  49          HG23      VAL  49  47.087   1.923  18.811
  343    H    LEU  50           HN       LEU  50  46.335  -0.422  21.629
  344    HA   LEU  50           HA       LEU  50  46.614  -0.625  24.460
  345    HB2  LEU  50           HB2      LEU  50  44.889  -2.384  24.271
  346    HB3  LEU  50           HB1      LEU  50  44.448  -0.932  23.373
  347    HG   LEU  50           HG       LEU  50  45.892  -2.413  21.521
  348   HD11  LEU  50          HD11      LEU  50  45.830  -4.367  23.029
  349   HD12  LEU  50          HD12      LEU  50  44.862  -4.656  21.583
  350   HD13  LEU  50          HD13      LEU  50  44.072  -4.252  23.106
  351   HD21  LEU  50          HD21      LEU  50  43.676  -2.765  20.475
  352   HD22  LEU  50          HD22      LEU  50  43.823  -1.129  21.118
  353   HD23  LEU  50          HD23      LEU  50  42.894  -2.343  21.999
  354    H    TRP  51           HN       TRP  51  48.725  -1.651  22.311
  355    HA   TRP  51           HA       TRP  51  49.092  -4.391  23.219
  356    HB2  TRP  51           HB2      TRP  51  49.667  -3.193  20.867
  357    HB3  TRP  51           HB1      TRP  51  51.228  -3.035  21.673
  358    HD1  TRP  51           HD1      TRP  51  48.585  -5.855  21.317
  359    HE1  TRP  51           HE1      TRP  51  49.837  -8.063  20.857
  360    HE3  TRP  51           HE3      TRP  51  53.406  -4.170  21.393
  361    HZ2  TRP  51           HZ2      TRP  51  52.525  -8.990  20.562
  362    HZ3  TRP  51           HZ3      TRP  51  55.290  -5.735  21.021
  363    HH2  TRP  51           HH2      TRP  51  54.856  -8.141  20.605
  364    H    THR  52           HN       THR  52  49.865  -1.340  24.358
  365    HA   THR  52           HA       THR  52  52.315  -2.264  25.713
  366    HB   THR  52           HB       THR  52  52.212  -0.046  24.406
  367    HG1  THR  52           HG1      THR  52  53.405  -0.774  26.646
  368   HG21  THR  52          HG21      THR  52  49.943   0.424  25.704
  369   HG22  THR  52          HG22      THR  52  51.029   1.743  25.267
  370   HG23  THR  52          HG23      THR  52  51.042   1.097  26.908
  371    H    VAL  53           HN       VAL  53  49.426  -2.920  26.364
  372    HA   VAL  53           HA       VAL  53  49.440  -1.960  29.166
  373    HB   VAL  53           HB       VAL  53  47.006  -2.782  27.572
  374   HG11  VAL  53          HG11      VAL  53  46.911  -2.946  30.070
  375   HG12  VAL  53          HG12      VAL  53  45.792  -1.752  29.413
  376   HG13  VAL  53          HG13      VAL  53  47.301  -1.229  30.160
  377   HG21  VAL  53          HG21      VAL  53  48.288  -0.081  28.030
  378   HG22  VAL  53          HG22      VAL  53  46.573  -0.246  27.653
  379   HG23  VAL  53          HG23      VAL  53  47.787  -0.803  26.501
  380    H    PHE  54           HN       PHE  54  48.194  -4.604  27.111
  381    HA   PHE  54           HA       PHE  54  48.541  -6.448  29.385
  382    HB2  PHE  54           HB2      PHE  54  47.037  -6.868  26.792
  383    HB3  PHE  54           HB1      PHE  54  47.042  -7.946  28.188
  384    HD1  PHE  54           HD1      PHE  54  45.855  -4.727  26.852
  385    HD2  PHE  54           HD2      PHE  54  45.867  -7.356  30.249
  386    HE1  PHE  54           HE1      PHE  54  44.001  -3.427  27.864
  387    HE2  PHE  54           HE2      PHE  54  44.013  -6.056  31.261
  388    HZ   PHE  54           HZ       PHE  54  43.080  -4.091  30.068
  389    H    ARG  55           HN       ARG  55  50.903  -5.692  28.230
  390    HA   ARG  55           HA       ARG  55  51.785  -8.216  27.035
  391    HB2  ARG  55           HB2      ARG  55  51.230  -6.445  25.234
  392    HB3  ARG  55           HB1      ARG  55  52.677  -5.618  25.808
  393    HG2  ARG  55           HG2      ARG  55  53.706  -6.953  24.258
  394    HG3  ARG  55           HG1      ARG  55  53.663  -8.123  25.576
  395    HD2  ARG  55           HD2      ARG  55  51.542  -7.857  23.426
  396    HD3  ARG  55           HD1      ARG  55  52.808  -9.078  23.446
  397    HE   ARG  55           HE       ARG  55  50.436  -9.008  25.128
  398   HH11  ARG  55          HH21      ARG  55  53.617 -10.251  24.570
  399   HH12  ARG  55          HH22      ARG  55  53.382 -11.670  25.534
  400   HH21  ARG  55          HH11      ARG  55  50.121 -10.867  26.396
  401   HH22  ARG  55          HH12      ARG  55  51.403 -12.019  26.568
  402    H    LYS  56           HN       LYS  56  53.008  -4.943  27.792
  403    HA   LYS  56           HA       LYS  56  55.509  -6.030  28.762
  404    HB2  LYS  56           HB2      LYS  56  54.706  -3.188  29.223
  405    HB3  LYS  56           HB1      LYS  56  56.278  -3.853  28.777
  406    HG2  LYS  56           HG2      LYS  56  55.254  -4.477  26.537
  407    HG3  LYS  56           HG1      LYS  56  53.851  -3.514  27.000
  408    HD2  LYS  56           HD2      LYS  56  55.277  -1.532  27.273
  409    HD3  LYS  56           HD1      LYS  56  56.700  -2.486  26.853
  410    HE2  LYS  56           HE2      LYS  56  54.485  -2.654  24.907
  411    HE3  LYS  56           HE1      LYS  56  55.228  -1.060  25.044
  412    HZ1  LYS  56           HZ1      LYS  56  57.315  -1.910  24.490
  413    HZ2  LYS  56           HZ2      LYS  56  56.256  -2.681  23.410
  414    HZ3  LYS  56           HZ3      LYS  56  56.849  -3.517  24.764
  415    H    LYS  57           HN       LYS  57  52.754  -4.271  30.180
  416    HA   LYS  57           HA       LYS  57  53.681  -4.300  32.842
  417    HB2  LYS  57           HB2      LYS  57  50.824  -4.282  31.837
  418    HB3  LYS  57           HB1      LYS  57  51.352  -3.831  33.458
  419    HG2  LYS  57           HG2      LYS  57  52.639  -2.459  31.130
  420    HG3  LYS  57           HG1      LYS  57  50.997  -1.990  31.570
  421    HD2  LYS  57           HD2      LYS  57  53.052  -2.224  33.737
  422    HD3  LYS  57           HD1      LYS  57  53.071  -0.797  32.698
  423    HE2  LYS  57           HE2      LYS  57  51.023  -0.043  33.459
  424    HE3  LYS  57           HE1      LYS  57  50.445  -1.668  33.832
  425    HZ1  LYS  57           HZ1      LYS  57  51.308  -1.591  35.877
  426    HZ2  LYS  57           HZ2      LYS  57  51.340   0.092  35.653
  427    HZ3  LYS  57           HZ3      LYS  57  52.738  -0.833  35.371
  428    H    GLY  58           HN       GLY  58  52.162  -6.714  30.867
  429    HA2  GLY  58           HA2      GLY  58  52.753  -9.021  31.840
  430    HA3  GLY  58           HA1      GLY  58  51.781  -8.476  33.205
  431    H    HIS  59           HN       HIS  59  51.739  -9.995  30.183
  432    HA   HIS  59           HA       HIS  59  49.371  -9.473  28.963
  433    HB2  HIS  59           HB2      HIS  59  49.512 -11.564  27.999
  434    HB3  HIS  59           HB1      HIS  59  51.155 -11.399  28.618
  435    HD2  HIS  59           HD2      HIS  59  51.814 -13.174  30.703
  436    HE1  HIS  59           HE1      HIS  59  48.040 -15.046  30.971
  437    HE2  HIS  59           HE2      HIS  59  50.449 -15.128  31.770
  438    H    HIS  60           HN       HIS  60  49.811 -10.892  32.111
  439    HA   HIS  60           HA       HIS  60  47.074 -11.809  32.347
  440    HB2  HIS  60           HB2      HIS  60  49.534 -11.933  33.953
  441    HB3  HIS  60           HB1      HIS  60  48.060 -11.743  34.904
  442    HD2  HIS  60           HD2      HIS  60  50.010 -14.614  33.559
  443    HE1  HIS  60           HE1      HIS  60  46.006 -15.939  33.383
  444    HE2  HIS  60           HE2      HIS  60  48.433 -16.673  33.257
  445    H    HIS  61           HN       HIS  61  49.029  -9.123  33.603
  446    HA   HIS  61           HA       HIS  61  48.362  -6.993  34.215
  447    HB2  HIS  61           HB2      HIS  61  46.366  -7.646  32.554
  448    HB3  HIS  61           HB1      HIS  61  45.460  -7.628  34.067
  449    HD2  HIS  61           HD2      HIS  61  47.276  -5.109  31.684
  450    HE1  HIS  61           HE1      HIS  61  45.561  -2.892  34.842
  451    HE2  HIS  61           HE2      HIS  61  46.736  -2.722  32.597
  452    H    HIS  62           HN       HIS  62  48.892  -9.041  36.060
  453    HA   HIS  62           HA       HIS  62  46.902  -9.281  38.070
  454    HB2  HIS  62           HB2      HIS  62  48.848  -9.963  39.520
  455    HB3  HIS  62           HB1      HIS  62  48.699 -10.875  38.018
  456    HD2  HIS  62           HD2      HIS  62  51.621 -11.204  38.259
  457    HE1  HIS  62           HE1      HIS  62  52.414  -7.249  37.011
  458    HE2  HIS  62           HE2      HIS  62  53.448  -9.530  37.435
  459    H    HIS  63           HN       HIS  63  49.694  -8.250  39.599
  460    HA   HIS  63           HA       HIS  63  48.481  -5.630  40.228
  461    HB2  HIS  63           HB2      HIS  63  50.426  -7.120  41.978
  462    HB3  HIS  63           HB1      HIS  63  49.328  -5.813  42.422
  463    HD2  HIS  63           HD2      HIS  63  46.875  -6.698  43.366
  464    HE1  HIS  63           HE1      HIS  63  47.155 -10.699  42.048
  465    HE2  HIS  63           HE2      HIS  63  45.746  -9.054  43.373
  466    H    HIS  64           HN       HIS  64  50.941  -5.033  41.742
  467    HA   HIS  64           HA       HIS  64  52.317  -3.565  39.741
  468    HB2  HIS  64           HB2      HIS  64  52.416  -3.855  42.625
  469    HB3  HIS  64           HB1      HIS  64  54.036  -3.762  41.937
  470    HD2  HIS  64           HD2      HIS  64  51.392  -1.335  43.046
  471    HE1  HIS  64           HE1      HIS  64  53.513   0.708  40.020
  472    HE2  HIS  64           HE2      HIS  64  51.835   0.974  41.909
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  82.728  -5.427 -15.415
    2    H2   MET   1           HT2      MET   1  81.489  -5.411 -14.254
    3    H3   MET   1           HT3      MET   1  81.705  -4.080 -15.287
    4    HA   MET   1           HA       MET   1  80.865  -5.173 -17.125
    5    HB2  MET   1           HB2      MET   1  80.360  -7.784 -16.628
    6    HB3  MET   1           HB1      MET   1  81.871  -7.220 -17.340
    7    HG2  MET   1           HG2      MET   1  82.193  -8.779 -15.392
    8    HG3  MET   1           HG1      MET   1  82.959  -7.206 -15.176
    9    HE1  MET   1           HE1      MET   1  79.753  -9.251 -14.676
   10    HE2  MET   1           HE2      MET   1  79.486  -9.087 -12.942
   11    HE3  MET   1           HE3      MET   1  80.964  -9.845 -13.531
   12    H    GLU   2           HN       GLU   2  79.246  -3.746 -16.119
   13    HA   GLU   2           HA       GLU   2  77.358  -4.752 -14.231
   14    HB2  GLU   2           HB2      GLU   2  76.977  -2.479 -16.190
   15    HB3  GLU   2           HB1      GLU   2  76.114  -2.736 -14.673
   16    HG2  GLU   2           HG2      GLU   2  79.098  -2.255 -14.915
   17    HG3  GLU   2           HG1      GLU   2  77.914  -1.039 -14.440
   18    H    GLU   3           HN       GLU   3  76.051  -6.409 -14.671
   19    HA   GLU   3           HA       GLU   3  75.404  -7.564 -17.048
   20    HB2  GLU   3           HB2      GLU   3  73.506  -7.197 -14.717
   21    HB3  GLU   3           HB1      GLU   3  73.369  -8.421 -15.980
   22    HG2  GLU   3           HG2      GLU   3  74.695  -9.763 -14.760
   23    HG3  GLU   3           HG1      GLU   3  76.009  -8.612 -14.995
   24    H    GLY   4           HN       GLY   4  73.779  -4.785 -15.563
   25    HA2  GLY   4           HA2      GLY   4  73.152  -3.137 -17.458
   26    HA3  GLY   4           HA1      GLY   4  72.127  -4.470 -17.982
   27    H    GLY   5           HN       GLY   5  70.402  -5.165 -16.586
   28    HA2  GLY   5           HA2      GLY   5  69.673  -4.076 -14.141
   29    HA3  GLY   5           HA1      GLY   5  69.003  -3.004 -15.367
   30    H    ASP   6           HN       ASP   6  68.059  -4.482 -17.306
   31    HA   ASP   6           HA       ASP   6  66.408  -5.936 -17.984
   32    HB2  ASP   6           HB2      ASP   6  67.920  -7.462 -16.331
   33    HB3  ASP   6           HB1      ASP   6  66.381  -7.497 -15.472
   34    H    PHE   7           HN       PHE   7  66.111  -3.635 -15.897
   35    HA   PHE   7           HA       PHE   7  64.339  -2.542 -14.924
   36    HB2  PHE   7           HB2      PHE   7  63.257  -3.621 -17.108
   37    HB3  PHE   7           HB1      PHE   7  62.379  -4.564 -15.904
   38    HD1  PHE   7           HD2      PHE   7  63.136  -1.121 -17.071
   39    HD2  PHE   7           HD1      PHE   7  60.700  -3.566 -14.514
   40    HE1  PHE   7           HE2      PHE   7  61.646   0.815 -16.640
   41    HE2  PHE   7           HE1      PHE   7  59.210  -1.630 -14.083
   42    HZ   PHE   7           HZ       PHE   7  59.683   0.559 -15.146
   43    H    ASP   8           HN       ASP   8  65.755  -4.362 -13.364
   44    HA   ASP   8           HA       ASP   8  63.744  -4.994 -11.362
   45    HB2  ASP   8           HB2      ASP   8  64.085  -7.016 -12.976
   46    HB3  ASP   8           HB1      ASP   8  65.613  -7.216 -12.120
   47    H    ASN   9           HN       ASN   9  65.433  -3.036 -10.989
   48    HA   ASN   9           HA       ASN   9  67.147  -3.985  -8.861
   49    HB2  ASN   9           HB2      ASN   9  68.807  -4.273 -10.483
   50    HB3  ASN   9           HB1      ASN   9  68.266  -2.885 -11.423
   51   HD21  ASN   9          HD21      ASN   9  69.104  -0.809 -10.865
   52   HD22  ASN   9          HD22      ASN   9  70.239  -0.575  -9.625
   53    H    TYR  10           HN       TYR  10  66.804  -2.607  -7.251
   54    HA   TYR  10           HA       TYR  10  66.115  -0.710  -6.131
   55    HB2  TYR  10           HB2      TYR  10  68.543  -0.291  -7.038
   56    HB3  TYR  10           HB1      TYR  10  67.739   0.883  -8.080
   57    HD1  TYR  10           HD2      TYR  10  68.026  -0.171  -4.500
   58    HD2  TYR  10           HD1      TYR  10  67.180   3.013  -7.257
   59    HE1  TYR  10           HE2      TYR  10  67.922   1.434  -2.614
   60    HE2  TYR  10           HE1      TYR  10  67.077   4.619  -5.370
   61    HH   TYR  10           HH       TYR  10  66.634   3.845  -2.322
   62    H    TYR  11           HN       TYR  11  64.718  -1.481  -8.781
   63    HA   TYR  11           HA       TYR  11  63.534   1.141  -9.422
   64    HB2  TYR  11           HB2      TYR  11  64.110  -1.271 -10.954
   65    HB3  TYR  11           HB1      TYR  11  62.444  -0.731 -11.159
   66    HD1  TYR  11           HD2      TYR  11  65.687   1.083 -10.630
   67    HD2  TYR  11           HD1      TYR  11  62.236   0.517 -13.124
   68    HE1  TYR  11           HE2      TYR  11  66.466   2.906 -12.120
   69    HE2  TYR  11           HE1      TYR  11  63.013   2.339 -14.614
   70    HH   TYR  11           HH       TYR  11  64.479   4.036 -14.831
   71    H    GLY  12           HN       GLY  12  62.140   1.375  -7.669
   72    HA2  GLY  12           HA2      GLY  12  59.808   1.256  -7.131
   73    HA3  GLY  12           HA1      GLY  12  59.785  -0.396  -7.744
   74    H    ALA  13           HN       ALA  13  61.300  -1.927  -6.509
   75    HA   ALA  13           HA       ALA  13  62.273  -1.605  -3.981
   76    HB1  ALA  13           HB1      ALA  13  60.095  -2.609  -2.767
   77    HB2  ALA  13           HB2      ALA  13  59.303  -1.634  -4.004
   78    HB3  ALA  13           HB3      ALA  13  60.416  -0.878  -2.863
   79    H    ASP  14           HN       ASP  14  63.514  -3.277  -4.963
   80    HA   ASP  14           HA       ASP  14  62.203  -5.900  -5.205
   81    HB2  ASP  14           HB2      ASP  14  63.894  -4.751  -6.925
   82    HB3  ASP  14           HB1      ASP  14  65.080  -5.520  -5.872
   83    H    ASN  15           HN       ASN  15  65.244  -4.562  -3.886
   84    HA   ASN  15           HA       ASN  15  64.937  -5.746  -1.336
   85    HB2  ASN  15           HB2      ASN  15  65.358  -7.888  -2.053
   86    HB3  ASN  15           HB1      ASN  15  66.327  -7.354  -3.425
   87   HD21  ASN  15          HD21      ASN  15  68.467  -7.976  -3.137
   88   HD22  ASN  15          HD22      ASN  15  69.295  -7.961  -1.656
   89    H    GLN  16           HN       GLN  16  65.709  -3.825  -0.542
   90    HA   GLN  16           HA       GLN  16  68.201  -2.698  -1.502
   91    HB2  GLN  16           HB2      GLN  16  67.810  -0.974   0.200
   92    HB3  GLN  16           HB1      GLN  16  66.358  -1.235  -0.767
   93    HG2  GLN  16           HG2      GLN  16  65.962  -3.059   1.210
   94    HG3  GLN  16           HG1      GLN  16  66.850  -1.818   2.094
   95   HE21  GLN  16          HE21      GLN  16  63.752  -2.671   0.895
   96   HE22  GLN  16          HE22      GLN  16  62.996  -1.172   1.141
   97    H    SER  17           HN       SER  17  67.097  -4.693   1.147
   98    HA   SER  17           HA       SER  17  69.669  -5.651   1.773
   99    HB2  SER  17           HB2      SER  17  69.736  -4.577   4.127
  100    HB3  SER  17           HB1      SER  17  70.280  -3.611   2.758
  101    HG   SER  17           HG       SER  17  67.583  -3.467   3.205
  102    H    GLU  18           HN       GLU  18  67.538  -7.098   1.335
  103    HA   GLU  18           HA       GLU  18  67.002  -8.345   3.907
  104    HB2  GLU  18           HB2      GLU  18  65.034  -6.673   2.548
  105    HB3  GLU  18           HB1      GLU  18  64.454  -8.319   2.807
  106    HG2  GLU  18           HG2      GLU  18  65.037  -8.167   5.190
  107    HG3  GLU  18           HG1      GLU  18  65.659  -6.536   4.944
  108    H    CYS  19           HN       CYS  19  65.258 -10.225   3.356
  109    HA   CYS  19           HA       CYS  19  64.757 -12.120   2.125
  110    HB2  CYS  19           HB2      CYS  19  65.102 -10.350   0.143
  111    HB3  CYS  19           HB1      CYS  19  66.517 -11.362  -0.151
  112    HG   CYS  19           HG       CYS  19  64.928 -12.910  -1.253
  113    H    GLU  20           HN       GLU  20  67.872 -10.945   2.824
  114    HA   GLU  20           HA       GLU  20  69.154 -13.536   2.299
  115    HB2  GLU  20           HB2      GLU  20  70.089 -10.750   2.642
  116    HB3  GLU  20           HB1      GLU  20  71.131 -11.998   3.326
  117    HG2  GLU  20           HG2      GLU  20  71.285 -13.135   1.205
  118    HG3  GLU  20           HG1      GLU  20  70.058 -12.086   0.496
  119    H    TYR  21           HN       TYR  21  67.339 -12.273   4.672
  120    HA   TYR  21           HA       TYR  21  68.563 -13.991   6.692
  121    HB2  TYR  21           HB2      TYR  21  69.570 -11.723   7.014
  122    HB3  TYR  21           HB1      TYR  21  67.946 -11.088   7.285
  123    HD1  TYR  21           HD1      TYR  21  70.387 -13.632   8.519
  124    HD2  TYR  21           HD2      TYR  21  66.915 -11.262   9.403
  125    HE1  TYR  21           HE1      TYR  21  70.498 -14.354  10.889
  126    HE2  TYR  21           HE2      TYR  21  67.026 -11.984  11.773
  127    HH   TYR  21           HH       TYR  21  68.520 -14.523  12.852
  128    H    THR  22           HN       THR  22  65.994 -13.444   4.994
  129    HA   THR  22           HA       THR  22  64.144 -14.064   7.202
  130    HB   THR  22           HB       THR  22  62.427 -12.671   5.834
  131    HG1  THR  22           HG1      THR  22  63.476 -10.920   4.771
  132   HG21  THR  22          HG21      THR  22  64.559 -11.752   7.707
  133   HG22  THR  22          HG22      THR  22  62.811 -11.796   7.930
  134   HG23  THR  22          HG23      THR  22  63.545 -10.521   6.956
  135    H    ASP  23           HN       ASP  23  65.564 -15.520   4.943
  136    HA   ASP  23           HA       ASP  23  63.146 -16.773   3.787
  137    HB2  ASP  23           HB2      ASP  23  64.096 -15.615   1.957
  138    HB3  ASP  23           HB1      ASP  23  65.738 -16.041   2.435
  139    H    TRP  24           HN       TRP  24  65.916 -17.128   5.651
  140    HA   TRP  24           HA       TRP  24  66.731 -19.755   4.949
  141    HB2  TRP  24           HB2      TRP  24  67.902 -19.764   7.078
  142    HB3  TRP  24           HB1      TRP  24  68.098 -18.188   6.314
  143    HD1  TRP  24           HD1      TRP  24  66.310 -16.244   7.184
  144    HE1  TRP  24           HE1      TRP  24  65.440 -15.828   9.575
  145    HE3  TRP  24           HE3      TRP  24  67.335 -20.779   9.297
  146    HZ2  TRP  24           HZ2      TRP  24  65.211 -17.232  12.056
  147    HZ3  TRP  24           HZ3      TRP  24  66.782 -21.212  11.674
  148    HH2  TRP  24           HH2      TRP  24  65.722 -19.445  13.054
  149    H    LYS  25           HN       LYS  25  63.883 -18.632   6.299
  150    HA   LYS  25           HA       LYS  25  63.228 -21.333   7.293
  151    HB2  LYS  25           HB2      LYS  25  61.668 -19.966   8.925
  152    HB3  LYS  25           HB1      LYS  25  63.352 -20.275   9.342
  153    HG2  LYS  25           HG2      LYS  25  62.753 -17.906   9.717
  154    HG3  LYS  25           HG1      LYS  25  63.987 -18.059   8.467
  155    HD2  LYS  25           HD2      LYS  25  62.474 -17.583   6.737
  156    HD3  LYS  25           HD1      LYS  25  61.072 -18.004   7.720
  157    HE2  LYS  25           HE2      LYS  25  61.276 -16.011   9.030
  158    HE3  LYS  25           HE1      LYS  25  62.871 -15.658   8.364
  159    HZ1  LYS  25           HZ1      LYS  25  60.874 -15.954   6.336
  160    HZ2  LYS  25           HZ2      LYS  25  61.976 -14.687   6.593
  161    HZ3  LYS  25           HZ3      LYS  25  60.495 -14.710   7.425
  162    H    SER  26           HN       SER  26  62.582 -18.938   5.116
  163    HA   SER  26           HA       SER  26  60.728 -18.300   3.882
  164    HB2  SER  26           HB2      SER  26  61.266 -20.353   2.780
  165    HB3  SER  26           HB1      SER  26  60.513 -21.308   4.054
  166    HG   SER  26           HG       SER  26  59.126 -19.404   2.473
  167    H    SER  27           HN       SER  27  60.025 -17.452   6.197
  168    HA   SER  27           HA       SER  27  57.208 -18.168   6.438
  169    HB2  SER  27           HB2      SER  27  59.027 -18.224   8.854
  170    HB3  SER  27           HB1      SER  27  57.294 -18.537   8.831
  171    HG   SER  27           HG       SER  27  58.544 -20.465   8.793
  172    H    GLY  28           HN       GLY  28  58.664 -15.854   5.484
  173    HA2  GLY  28           HA2      GLY  28  57.243 -13.820   6.926
  174    HA3  GLY  28           HA1      GLY  28  58.980 -13.736   7.206
  175    H    ALA  29           HN       ALA  29  57.417 -14.770   4.216
  176    HA   ALA  29           HA       ALA  29  58.224 -12.255   2.914
  177    HB1  ALA  29           HB1      ALA  29  58.697 -14.485   1.151
  178    HB2  ALA  29           HB2      ALA  29  59.624 -14.687   2.638
  179    HB3  ALA  29           HB3      ALA  29  59.816 -13.224   1.672
  180    H    LEU  30           HN       LEU  30  55.873 -14.488   3.537
  181    HA   LEU  30           HA       LEU  30  54.277 -13.555   1.250
  182    HB2  LEU  30           HB2      LEU  30  53.313 -15.966   1.207
  183    HB3  LEU  30           HB1      LEU  30  54.860 -15.665   0.414
  184    HG   LEU  30           HG       LEU  30  55.031 -16.340   3.290
  185   HD11  LEU  30          HD11      LEU  30  54.190 -18.386   1.214
  186   HD12  LEU  30          HD12      LEU  30  53.234 -17.866   2.602
  187   HD13  LEU  30          HD13      LEU  30  54.731 -18.764   2.850
  188   HD21  LEU  30          HD21      LEU  30  56.939 -17.653   2.470
  189   HD22  LEU  30          HD22      LEU  30  56.992 -16.025   1.793
  190   HD23  LEU  30          HD23      LEU  30  56.433 -17.375   0.804
  191    H    ILE  31           HN       ILE  31  54.579 -14.493   4.538
  192    HA   ILE  31           HA       ILE  31  51.751 -14.696   5.062
  193    HB   ILE  31           HB       ILE  31  54.230 -15.138   6.525
  194   HG12  ILE  31          HG12      ILE  31  52.802 -16.776   7.671
  195   HG13  ILE  31          HG11      ILE  31  51.369 -16.046   6.945
  196   HG21  ILE  31          HG21      ILE  31  51.933 -13.784   7.983
  197   HG22  ILE  31          HG22      ILE  31  53.596 -13.195   7.858
  198   HG23  ILE  31          HG23      ILE  31  53.243 -14.657   8.772
  199   HD11  ILE  31          HD11      ILE  31  53.466 -16.751   5.002
  200   HD12  ILE  31          HD12      ILE  31  51.729 -17.050   4.941
  201   HD13  ILE  31          HD13      ILE  31  52.780 -18.136   5.850
  202    HA   PRO  32           HA       PRO  32  52.342 -10.300   6.718
  203    HB2  PRO  32           HB2      PRO  32  54.661  -8.967   6.262
  204    HB3  PRO  32           HB1      PRO  32  54.457 -10.091   7.618
  205    HG2  PRO  32           HG2      PRO  32  55.966 -10.420   5.115
  206    HG3  PRO  32           HG1      PRO  32  56.201 -11.192   6.690
  207    HD2  PRO  32           HD2      PRO  32  54.921 -12.309   4.391
  208    HD3  PRO  32           HD1      PRO  32  55.046 -13.030   6.010
  209    H    ALA  33           HN       ALA  33  53.436 -11.133   3.557
  210    HA   ALA  33           HA       ALA  33  53.240  -8.624   2.264
  211    HB1  ALA  33           HB1      ALA  33  52.445 -10.841   0.570
  212    HB2  ALA  33           HB2      ALA  33  53.877 -11.242   1.519
  213    HB3  ALA  33           HB3      ALA  33  53.881  -9.820   0.476
  214    H    ILE  34           HN       ILE  34  50.895 -10.268   3.874
  215    HA   ILE  34           HA       ILE  34  48.772  -8.942   2.320
  216    HB   ILE  34           HB       ILE  34  47.729 -11.348   3.459
  217   HG12  ILE  34          HG12      ILE  34  50.121 -11.733   1.626
  218   HG13  ILE  34          HG11      ILE  34  50.056 -12.187   3.330
  219   HG21  ILE  34          HG21      ILE  34  48.232 -10.588   0.565
  220   HG22  ILE  34          HG22      ILE  34  46.859 -10.026   1.518
  221   HG23  ILE  34          HG23      ILE  34  47.036 -11.741   1.155
  222   HD11  ILE  34          HD11      ILE  34  48.103 -13.672   2.799
  223   HD12  ILE  34          HD12      ILE  34  49.595 -14.162   1.997
  224   HD13  ILE  34          HD13      ILE  34  48.348 -13.307   1.090
  225    H    TYR  35           HN       TYR  35  49.467 -10.732   5.328
  226    HA   TYR  35           HA       TYR  35  47.360  -9.797   6.876
  227    HB2  TYR  35           HB2      TYR  35  50.003 -10.973   7.379
  228    HB3  TYR  35           HB1      TYR  35  49.422  -9.943   8.687
  229    HD1  TYR  35           HD2      TYR  35  47.018 -10.326   9.538
  230    HD2  TYR  35           HD1      TYR  35  49.149 -13.153   7.104
  231    HE1  TYR  35           HE2      TYR  35  45.469 -12.120  10.266
  232    HE2  TYR  35           HE1      TYR  35  47.599 -14.947   7.833
  233    HH   TYR  35           HH       TYR  35  45.980 -15.493   9.298
  234    H    MET  36           HN       MET  36  50.355  -8.217   5.971
  235    HA   MET  36           HA       MET  36  50.350  -6.118   7.843
  236    HB2  MET  36           HB2      MET  36  51.394  -6.250   5.007
  237    HB3  MET  36           HB1      MET  36  51.697  -4.899   6.101
  238    HG2  MET  36           HG2      MET  36  52.293  -7.703   7.003
  239    HG3  MET  36           HG1      MET  36  53.441  -6.857   5.966
  240    HE1  MET  36           HE1      MET  36  53.562  -7.970   9.125
  241    HE2  MET  36           HE2      MET  36  54.738  -6.805   9.729
  242    HE3  MET  36           HE3      MET  36  54.953  -7.516   8.132
  243    H    LEU  37           HN       LEU  37  49.226  -6.046   4.450
  244    HA   LEU  37           HA       LEU  37  48.114  -3.541   4.370
  245    HB2  LEU  37           HB2      LEU  37  47.608  -6.093   2.974
  246    HB3  LEU  37           HB1      LEU  37  46.277  -4.936   2.927
  247    HG   LEU  37           HG       LEU  37  47.776  -3.202   2.064
  248   HD11  LEU  37          HD11      LEU  37  49.805  -5.225   2.818
  249   HD12  LEU  37          HD12      LEU  37  49.927  -3.466   2.783
  250   HD13  LEU  37          HD13      LEU  37  50.101  -4.392   1.292
  251   HD21  LEU  37          HD21      LEU  37  47.744  -3.982  -0.101
  252   HD22  LEU  37          HD22      LEU  37  46.774  -5.255   0.639
  253   HD23  LEU  37          HD23      LEU  37  48.489  -5.520   0.331
  254    H    VAL  38           HN       VAL  38  47.033  -6.274   6.178
  255    HA   VAL  38           HA       VAL  38  44.392  -5.104   6.669
  256    HB   VAL  38           HB       VAL  38  45.504  -7.616   7.914
  257   HG11  VAL  38          HG11      VAL  38  42.712  -6.650   7.224
  258   HG12  VAL  38          HG12      VAL  38  43.410  -6.739   8.841
  259   HG13  VAL  38          HG13      VAL  38  43.093  -8.219   7.934
  260   HG21  VAL  38          HG21      VAL  38  43.974  -8.490   5.829
  261   HG22  VAL  38          HG22      VAL  38  45.732  -8.355   5.763
  262   HG23  VAL  38          HG23      VAL  38  44.722  -7.063   5.111
  263    H    PHE  39           HN       PHE  39  47.243  -6.162   8.535
  264    HA   PHE  39           HA       PHE  39  46.496  -5.420  11.073
  265    HB2  PHE  39           HB2      PHE  39  48.838  -6.247   9.906
  266    HB3  PHE  39           HB1      PHE  39  49.241  -4.608  10.414
  267    HD1  PHE  39           HD1      PHE  39  47.739  -7.806  11.632
  268    HD2  PHE  39           HD2      PHE  39  49.687  -4.123  12.681
  269    HE1  PHE  39           HE1      PHE  39  47.941  -8.581  13.979
  270    HE2  PHE  39           HE2      PHE  39  49.890  -4.899  15.028
  271    HZ   PHE  39           HZ       PHE  39  49.017  -7.128  15.677
  272    H    LEU  40           HN       LEU  40  46.873  -3.398   8.368
  273    HA   LEU  40           HA       LEU  40  46.775  -0.997  10.099
  274    HB2  LEU  40           HB2      LEU  40  48.126  -1.320   7.410
  275    HB3  LEU  40           HB1      LEU  40  47.916   0.219   8.248
  276    HG   LEU  40           HG       LEU  40  49.086  -1.909   9.916
  277   HD11  LEU  40          HD11      LEU  40  50.205  -2.531   7.868
  278   HD12  LEU  40          HD12      LEU  40  51.349  -1.600   8.836
  279   HD13  LEU  40          HD13      LEU  40  50.526  -0.843   7.472
  280   HD21  LEU  40          HD21      LEU  40  50.093   0.868   9.244
  281   HD22  LEU  40          HD22      LEU  40  50.454  -0.088  10.682
  282   HD23  LEU  40          HD23      LEU  40  48.835   0.570  10.444
  283    H    LEU  41           HN       LEU  41  44.526  -2.510   9.202
  284    HA   LEU  41           HA       LEU  41  42.979  -0.415   8.033
  285    HB2  LEU  41           HB2      LEU  41  43.958  -1.083   5.951
  286    HB3  LEU  41           HB1      LEU  41  43.716  -2.790   6.313
  287    HG   LEU  41           HG       LEU  41  41.325  -2.579   6.104
  288   HD11  LEU  41          HD11      LEU  41  40.425  -0.244   5.422
  289   HD12  LEU  41          HD12      LEU  41  41.932   0.379   6.091
  290   HD13  LEU  41          HD13      LEU  41  40.809  -0.506   7.123
  291   HD21  LEU  41          HD21      LEU  41  42.618  -2.728   3.989
  292   HD22  LEU  41          HD22      LEU  41  42.653  -0.967   3.902
  293   HD23  LEU  41          HD23      LEU  41  41.118  -1.826   3.776
  294    H    GLY  42           HN       GLY  42  42.950  -3.989   8.006
  295    HA2  GLY  42           HA2      GLY  42  40.204  -4.241   8.597
  296    HA3  GLY  42           HA1      GLY  42  41.414  -5.503   8.808
  297    H    THR  43           HN       THR  43  42.806  -3.297  10.569
  298    HA   THR  43           HA       THR  43  41.087  -3.359  12.925
  299    HB   THR  43           HB       THR  43  42.232  -5.497  13.103
  300    HG1  THR  43           HG1      THR  43  42.037  -4.551  15.053
  301   HG21  THR  43          HG21      THR  43  44.597  -5.735  12.993
  302   HG22  THR  43          HG22      THR  43  44.851  -3.991  13.068
  303   HG23  THR  43          HG23      THR  43  44.169  -4.722  11.614
  304    H    THR  44           HN       THR  44  44.274  -2.571  11.595
  305    HA   THR  44           HA       THR  44  45.806  -0.945  12.237
  306    HB   THR  44           HB       THR  44  44.955   0.405  10.620
  307    HG1  THR  44           HG1      THR  44  44.181   2.356  11.555
  308   HG21  THR  44          HG21      THR  44  42.242   0.223  11.966
  309   HG22  THR  44          HG22      THR  44  42.762  -0.714  10.565
  310   HG23  THR  44          HG23      THR  44  42.573   1.033  10.438
  311    H    GLY  45           HN       GLY  45  43.054   0.836  13.463
  312    HA2  GLY  45           HA2      GLY  45  44.209   1.895  15.706
  313    HA3  GLY  45           HA1      GLY  45  42.488   1.534  15.597
  314    H    ASN  46           HN       ASN  46  42.087  -0.984  15.791
  315    HA   ASN  46           HA       ASN  46  42.868  -1.712  18.433
  316    HB2  ASN  46           HB2      ASN  46  41.487  -3.271  16.239
  317    HB3  ASN  46           HB1      ASN  46  41.714  -3.874  17.879
  318   HD21  ASN  46          HD21      ASN  46  39.647  -1.997  15.888
  319   HD22  ASN  46          HD22      ASN  46  38.693  -1.327  17.123
  320    H    GLY  47           HN       GLY  47  44.582  -1.755  15.630
  321    HA2  GLY  47           HA2      GLY  47  45.973  -4.285  16.069
  322    HA3  GLY  47           HA1      GLY  47  46.253  -3.149  14.751
  323    H    LEU  48           HN       LEU  48  46.314  -0.914  16.791
  324    HA   LEU  48           HA       LEU  48  48.885  -1.481  18.108
  325    HB2  LEU  48           HB2      LEU  48  49.620   0.848  17.340
  326    HB3  LEU  48           HB1      LEU  48  49.628  -0.426  16.121
  327    HG   LEU  48           HG       LEU  48  47.037   0.923  16.331
  328   HD11  LEU  48          HD11      LEU  48  47.821   3.009  15.217
  329   HD12  LEU  48          HD12      LEU  48  49.487   2.507  15.501
  330   HD13  LEU  48          HD13      LEU  48  48.429   2.863  16.866
  331   HD21  LEU  48          HD21      LEU  48  47.212   0.883  13.922
  332   HD22  LEU  48          HD22      LEU  48  47.861  -0.645  14.519
  333   HD23  LEU  48          HD23      LEU  48  48.956   0.636  14.001
  334    H    VAL  49           HN       VAL  49  46.358  -1.367  19.313
  335    HA   VAL  49           HA       VAL  49  46.674   1.051  20.973
  336    HB   VAL  49           HB       VAL  49  44.134  -0.007  19.735
  337   HG11  VAL  49          HG11      VAL  49  43.118   1.871  21.239
  338   HG12  VAL  49          HG12      VAL  49  44.559   1.629  22.227
  339   HG13  VAL  49          HG13      VAL  49  43.439   0.294  21.958
  340   HG21  VAL  49          HG21      VAL  49  45.672   1.798  18.673
  341   HG22  VAL  49          HG22      VAL  49  45.090   2.846  19.965
  342   HG23  VAL  49          HG23      VAL  49  43.952   2.158  18.807
  343    H    LEU  50           HN       LEU  50  44.694  -1.920  20.801
  344    HA   LEU  50           HA       LEU  50  45.146  -2.304  23.686
  345    HB2  LEU  50           HB2      LEU  50  43.237  -3.798  23.627
  346    HB3  LEU  50           HB1      LEU  50  42.800  -2.283  22.834
  347    HG   LEU  50           HG       LEU  50  43.852  -3.772  20.756
  348   HD11  LEU  50          HD11      LEU  50  42.957  -5.985  20.878
  349   HD12  LEU  50          HD12      LEU  50  42.054  -5.613  22.346
  350   HD13  LEU  50          HD13      LEU  50  43.813  -5.730  22.399
  351   HD21  LEU  50          HD21      LEU  50  41.876  -2.454  20.494
  352   HD22  LEU  50          HD22      LEU  50  41.021  -3.360  21.742
  353   HD23  LEU  50          HD23      LEU  50  41.376  -4.118  20.190
  354    H    TRP  51           HN       TRP  51  46.112  -3.467  20.632
  355    HA   TRP  51           HA       TRP  51  46.747  -6.159  21.496
  356    HB2  TRP  51           HB2      TRP  51  46.462  -6.313  19.252
  357    HB3  TRP  51           HB1      TRP  51  46.860  -4.616  18.986
  358    HD1  TRP  51           HD1      TRP  51  49.438  -3.968  18.749
  359    HE1  TRP  51           HE1      TRP  51  51.502  -5.375  18.112
  360    HE3  TRP  51           HE3      TRP  51  47.546  -8.665  19.415
  361    HZ2  TRP  51           HZ2      TRP  51  52.252  -8.127  17.910
  362    HZ3  TRP  51           HZ3      TRP  51  48.955 -10.659  18.994
  363    HH2  TRP  51           HH2      TRP  51  51.304 -10.396  18.244
  364    H    THR  52           HN       THR  52  48.384  -3.075  21.172
  365    HA   THR  52           HA       THR  52  51.046  -3.790  21.206
  366    HB   THR  52           HB       THR  52  50.131  -1.451  21.121
  367    HG1  THR  52           HG1      THR  52  51.852  -0.924  22.982
  368   HG21  THR  52          HG21      THR  52  49.244  -0.408  22.970
  369   HG22  THR  52          HG22      THR  52  50.196  -1.371  24.099
  370   HG23  THR  52          HG23      THR  52  48.763  -2.064  23.338
  371    H    VAL  53           HN       VAL  53  48.715  -3.886  23.832
  372    HA   VAL  53           HA       VAL  53  50.444  -4.180  26.010
  373    HB   VAL  53           HB       VAL  53  47.790  -5.589  25.680
  374   HG11  VAL  53          HG11      VAL  53  49.061  -6.217  27.676
  375   HG12  VAL  53          HG12      VAL  53  47.692  -5.207  28.140
  376   HG13  VAL  53          HG13      VAL  53  49.315  -4.518  28.076
  377   HG21  VAL  53          HG21      VAL  53  48.441  -2.753  25.685
  378   HG22  VAL  53          HG22      VAL  53  47.428  -3.175  27.064
  379   HG23  VAL  53          HG23      VAL  53  46.882  -3.536  25.427
  380    H    PHE  54           HN       PHE  54  48.847  -6.751  24.112
  381    HA   PHE  54           HA       PHE  54  50.493  -8.800  25.316
  382    HB2  PHE  54           HB2      PHE  54  48.404  -8.788  23.142
  383    HB3  PHE  54           HB1      PHE  54  49.344 -10.232  23.520
  384    HD1  PHE  54           HD1      PHE  54  49.204 -11.275  25.769
  385    HD2  PHE  54           HD2      PHE  54  46.706  -7.967  24.645
  386    HE1  PHE  54           HE1      PHE  54  47.712 -11.749  27.692
  387    HE2  PHE  54           HE2      PHE  54  45.213  -8.440  26.569
  388    HZ   PHE  54           HZ       PHE  54  45.717 -10.331  28.092
  389    H    ARG  55           HN       ARG  55  52.188  -6.956  24.234
  390    HA   ARG  55           HA       ARG  55  53.566  -8.557  22.230
  391    HB2  ARG  55           HB2      ARG  55  51.994  -6.909  21.035
  392    HB3  ARG  55           HB1      ARG  55  53.075  -5.646  21.623
  393    HG2  ARG  55           HG2      ARG  55  54.988  -6.994  20.599
  394    HG3  ARG  55           HG1      ARG  55  53.750  -7.954  19.789
  395    HD2  ARG  55           HD2      ARG  55  53.807  -6.386  18.164
  396    HD3  ARG  55           HD1      ARG  55  52.937  -5.355  19.297
  397    HE   ARG  55           HE       ARG  55  55.583  -5.022  19.962
  398   HH11  ARG  55          HH21      ARG  55  53.668  -4.752  17.092
  399   HH12  ARG  55          HH22      ARG  55  54.644  -3.502  16.393
  400   HH21  ARG  55          HH11      ARG  55  56.867  -3.384  19.052
  401   HH22  ARG  55          HH12      ARG  55  56.455  -2.729  17.502
  402    H    LYS  56           HN       LYS  56  53.539  -5.430  23.942
  403    HA   LYS  56           HA       LYS  56  56.327  -5.017  23.913
  404    HB2  LYS  56           HB2      LYS  56  55.874  -3.483  25.842
  405    HB3  LYS  56           HB1      LYS  56  54.832  -3.195  24.447
  406    HG2  LYS  56           HG2      LYS  56  53.016  -3.548  25.724
  407    HG3  LYS  56           HG1      LYS  56  53.584  -5.179  26.083
  408    HD2  LYS  56           HD2      LYS  56  54.915  -4.351  27.951
  409    HD3  LYS  56           HD1      LYS  56  54.480  -2.687  27.559
  410    HE2  LYS  56           HE2      LYS  56  52.515  -2.858  28.652
  411    HE3  LYS  56           HE1      LYS  56  52.117  -4.363  27.824
  412    HZ1  LYS  56           HZ1      LYS  56  53.817  -5.396  29.406
  413    HZ2  LYS  56           HZ2      LYS  56  52.297  -4.977  30.037
  414    HZ3  LYS  56           HZ3      LYS  56  53.642  -3.979  30.321
  415    H    LYS  57           HN       LYS  57  54.348  -7.149  25.755
  416    HA   LYS  57           HA       LYS  57  55.695  -7.483  28.134
  417    HB2  LYS  57           HB2      LYS  57  54.679  -9.777  26.447
  418    HB3  LYS  57           HB1      LYS  57  54.812  -9.712  28.205
  419    HG2  LYS  57           HG2      LYS  57  53.284  -7.464  27.532
  420    HG3  LYS  57           HG1      LYS  57  52.669  -8.749  26.491
  421    HD2  LYS  57           HD2      LYS  57  52.489 -10.222  28.514
  422    HD3  LYS  57           HD1      LYS  57  52.940  -8.836  29.508
  423    HE2  LYS  57           HE2      LYS  57  50.990  -7.585  28.628
  424    HE3  LYS  57           HE1      LYS  57  50.527  -8.998  27.678
  425    HZ1  LYS  57           HZ1      LYS  57  50.994  -9.556  30.465
  426    HZ2  LYS  57           HZ2      LYS  57  49.702 -10.022  29.464
  427    HZ3  LYS  57           HZ3      LYS  57  49.705  -8.487  30.194
  428    H    GLY  58           HN       GLY  58  56.816  -8.143  24.948
  429    HA2  GLY  58           HA2      GLY  58  59.467  -8.701  25.854
  430    HA3  GLY  58           HA1      GLY  58  58.675 -10.162  25.275
  431    H    HIS  59           HN       HIS  59  57.988  -6.986  23.970
  432    HA   HIS  59           HA       HIS  59  58.209  -6.120  21.856
  433    HB2  HIS  59           HB2      HIS  59  60.814  -7.230  22.578
  434    HB3  HIS  59           HB1      HIS  59  60.555  -7.177  20.834
  435    HD2  HIS  59           HD2      HIS  59  59.891  -4.512  23.744
  436    HE1  HIS  59           HE1      HIS  59  61.474  -2.545  20.361
  437    HE2  HIS  59           HE2      HIS  59  60.644  -2.223  22.739
  438    H    HIS  60           HN       HIS  60  59.935  -9.144  21.209
  439    HA   HIS  60           HA       HIS  60  57.660 -10.094  19.601
  440    HB2  HIS  60           HB2      HIS  60  60.419  -9.455  18.628
  441    HB3  HIS  60           HB1      HIS  60  59.537 -10.796  17.898
  442    HD2  HIS  60           HD2      HIS  60  58.791  -6.929  18.554
  443    HE1  HIS  60           HE1      HIS  60  56.736  -8.183  15.086
  444    HE2  HIS  60           HE2      HIS  60  57.257  -6.192  16.574
  445    H    HIS  61           HN       HIS  61  60.891 -10.808  20.895
  446    HA   HIS  61           HA       HIS  61  60.240 -13.092  22.288
  447    HB2  HIS  61           HB2      HIS  61  60.437 -13.559  19.392
  448    HB3  HIS  61           HB1      HIS  61  61.452 -14.628  20.360
  449    HD2  HIS  61           HD2      HIS  61  59.493 -15.232  22.886
  450    HE1  HIS  61           HE1      HIS  61  56.581 -16.272  20.012
  451    HE2  HIS  61           HE2      HIS  61  57.236 -16.475  22.457
  452    H    HIS  62           HN       HIS  62  61.932 -13.517  23.564
  453    HA   HIS  62           HA       HIS  62  64.505 -12.302  22.926
  454    HB2  HIS  62           HB2      HIS  62  63.366 -13.606  25.397
  455    HB3  HIS  62           HB1      HIS  62  65.062 -13.139  25.274
  456    HD2  HIS  62           HD2      HIS  62  63.853 -11.263  27.415
  457    HE1  HIS  62           HE1      HIS  62  62.765  -8.529  24.388
  458    HE2  HIS  62           HE2      HIS  62  63.108  -8.817  26.887
  459    H    HIS  63           HN       HIS  63  64.427 -15.163  24.867
  460    HA   HIS  63           HA       HIS  63  65.696 -17.087  24.699
  461    HB2  HIS  63           HB2      HIS  63  63.552 -17.330  23.164
  462    HB3  HIS  63           HB1      HIS  63  64.757 -17.365  21.876
  463    HD2  HIS  63           HD2      HIS  63  64.584 -19.257  25.398
  464    HE1  HIS  63           HE1      HIS  63  65.829 -21.958  22.402
  465    HE2  HIS  63           HE2      HIS  63  65.315 -21.708  24.876
  466    H    HIS  64           HN       HIS  64  67.251 -14.844  24.188
  467    HA   HIS  64           HA       HIS  64  69.126 -14.079  23.062
  468    HB2  HIS  64           HB2      HIS  64  69.861 -16.112  24.391
  469    HB3  HIS  64           HB1      HIS  64  69.752 -17.029  22.888
  470    HD2  HIS  64           HD2      HIS  64  70.991 -13.806  21.621
  471    HE1  HIS  64           HE1      HIS  64  74.511 -15.714  22.958
  472    HE2  HIS  64           HE2      HIS  64  73.601 -13.802  21.557
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  88.912 -11.821 -42.630
    2    H2   MET   1           HT2      MET   1  87.751 -11.119 -43.652
    3    H3   MET   1           HT3      MET   1  88.908 -12.192 -44.284
    4    HA   MET   1           HA       MET   1  87.950 -13.944 -42.786
    5    HB2  MET   1           HB2      MET   1  85.731 -11.879 -42.638
    6    HB3  MET   1           HB1      MET   1  85.657 -13.522 -42.000
    7    HG2  MET   1           HG2      MET   1  87.833 -12.824 -40.706
    8    HG3  MET   1           HG1      MET   1  87.267 -11.183 -41.016
    9    HE1  MET   1           HE1      MET   1  85.636 -14.338 -38.198
   10    HE2  MET   1           HE2      MET   1  87.307 -13.956 -38.603
   11    HE3  MET   1           HE3      MET   1  86.263 -14.698 -39.812
   12    H    GLU   2           HN       GLU   2  85.858 -15.102 -43.601
   13    HA   GLU   2           HA       GLU   2  85.249 -14.368 -46.384
   14    HB2  GLU   2           HB2      GLU   2  86.243 -17.083 -45.485
   15    HB3  GLU   2           HB1      GLU   2  85.586 -16.729 -47.084
   16    HG2  GLU   2           HG2      GLU   2  87.354 -14.976 -47.362
   17    HG3  GLU   2           HG1      GLU   2  88.055 -15.496 -45.830
   18    H    GLU   3           HN       GLU   3  84.505 -16.244 -43.503
   19    HA   GLU   3           HA       GLU   3  81.686 -15.917 -43.902
   20    HB2  GLU   3           HB2      GLU   3  82.745 -18.069 -45.263
   21    HB3  GLU   3           HB1      GLU   3  82.210 -18.794 -43.748
   22    HG2  GLU   3           HG2      GLU   3  79.993 -17.659 -44.060
   23    HG3  GLU   3           HG1      GLU   3  80.540 -17.127 -45.649
   24    H    GLY   4           HN       GLY   4  81.062 -15.486 -41.892
   25    HA2  GLY   4           HA2      GLY   4  81.265 -17.337 -39.766
   26    HA3  GLY   4           HA1      GLY   4  82.487 -16.086 -39.558
   27    H    GLY   5           HN       GLY   5  81.804 -14.652 -38.103
   28    HA2  GLY   5           HA2      GLY   5  80.487 -13.118 -37.005
   29    HA3  GLY   5           HA1      GLY   5  79.591 -12.965 -38.513
   30    H    ASP   6           HN       ASP   6  79.821 -14.721 -35.474
   31    HA   ASP   6           HA       ASP   6  76.974 -15.046 -35.344
   32    HB2  ASP   6           HB2      ASP   6  77.947 -16.949 -36.875
   33    HB3  ASP   6           HB1      ASP   6  78.441 -17.656 -35.338
   34    H    PHE   7           HN       PHE   7  79.086 -13.887 -33.753
   35    HA   PHE   7           HA       PHE   7  78.443 -15.161 -31.220
   36    HB2  PHE   7           HB2      PHE   7  81.298 -14.916 -32.195
   37    HB3  PHE   7           HB1      PHE   7  80.836 -15.290 -30.533
   38    HD1  PHE   7           HD2      PHE   7  79.352 -17.342 -30.124
   39    HD2  PHE   7           HD1      PHE   7  81.393 -16.617 -33.832
   40    HE1  PHE   7           HE2      PHE   7  79.099 -19.733 -30.731
   41    HE2  PHE   7           HE1      PHE   7  81.141 -19.008 -34.440
   42    HZ   PHE   7           HZ       PHE   7  79.994 -20.566 -32.888
   43    H    ASP   8           HN       ASP   8  77.439 -12.830 -31.835
   44    HA   ASP   8           HA       ASP   8  78.809 -10.989 -30.053
   45    HB2  ASP   8           HB2      ASP   8  79.781 -10.592 -32.360
   46    HB3  ASP   8           HB1      ASP   8  78.172 -10.078 -32.862
   47    H    ASN   9           HN       ASN   9  76.509 -12.177 -29.460
   48    HA   ASN   9           HA       ASN   9  74.544 -10.000 -29.722
   49    HB2  ASN   9           HB2      ASN   9  73.776 -12.914 -29.942
   50    HB3  ASN   9           HB1      ASN   9  72.750 -11.504 -30.203
   51   HD21  ASN   9          HD21      ASN   9  74.460  -9.918 -31.822
   52   HD22  ASN   9          HD22      ASN   9  74.730 -10.727 -33.289
   53    H    TYR  10           HN       TYR  10  74.842 -13.225 -28.209
   54    HA   TYR  10           HA       TYR  10  73.524 -12.330 -25.808
   55    HB2  TYR  10           HB2      TYR  10  75.097 -14.883 -26.065
   56    HB3  TYR  10           HB1      TYR  10  73.669 -14.560 -25.081
   57    HD1  TYR  10           HD1      TYR  10  71.433 -14.420 -26.103
   58    HD2  TYR  10           HD2      TYR  10  74.913 -15.359 -28.441
   59    HE1  TYR  10           HE1      TYR  10  69.979 -15.205 -27.953
   60    HE2  TYR  10           HE2      TYR  10  73.459 -16.143 -30.290
   61    HH   TYR  10           HH       TYR  10  71.369 -16.619 -30.908
   62    H    TYR  11           HN       TYR  11  76.477 -11.630 -26.936
   63    HA   TYR  11           HA       TYR  11  78.112 -12.165 -24.628
   64    HB2  TYR  11           HB2      TYR  11  78.455 -10.615 -27.173
   65    HB3  TYR  11           HB1      TYR  11  79.605 -10.401 -25.853
   66    HD1  TYR  11           HD2      TYR  11  77.955 -13.037 -27.933
   67    HD2  TYR  11           HD1      TYR  11  81.339 -11.955 -25.520
   68    HE1  TYR  11           HE2      TYR  11  79.086 -15.148 -28.575
   69    HE2  TYR  11           HE1      TYR  11  82.471 -14.067 -26.161
   70    HH   TYR  11           HH       TYR  11  81.754 -15.842 -28.684
   71    H    GLY  12           HN       GLY  12  76.331 -11.180 -23.209
   72    HA2  GLY  12           HA2      GLY  12  77.261  -8.669 -22.229
   73    HA3  GLY  12           HA1      GLY  12  75.727  -8.481 -23.075
   74    H    ALA  13           HN       ALA  13  73.895  -9.761 -22.326
   75    HA   ALA  13           HA       ALA  13  74.034 -11.123 -19.794
   76    HB1  ALA  13           HB1      ALA  13  72.417  -8.580 -19.803
   77    HB2  ALA  13           HB2      ALA  13  74.090  -8.610 -19.245
   78    HB3  ALA  13           HB3      ALA  13  72.871  -9.589 -18.429
   79    H    ASP  14           HN       ASP  14  73.139 -12.564 -21.541
   80    HA   ASP  14           HA       ASP  14  70.379 -12.047 -22.315
   81    HB2  ASP  14           HB2      ASP  14  70.568 -13.961 -23.702
   82    HB3  ASP  14           HB1      ASP  14  72.133 -13.154 -23.806
   83    H    ASN  15           HN       ASN  15  72.186 -14.332 -20.285
   84    HA   ASN  15           HA       ASN  15  70.144 -14.591 -18.366
   85    HB2  ASN  15           HB2      ASN  15  69.804 -16.231 -20.722
   86    HB3  ASN  15           HB1      ASN  15  70.045 -17.239 -19.296
   87   HD21  ASN  15          HD21      ASN  15  67.873 -17.892 -18.917
   88   HD22  ASN  15          HD22      ASN  15  66.617 -16.799 -18.589
   89    H    GLN  16           HN       GLN  16  71.774 -14.513 -16.872
   90    HA   GLN  16           HA       GLN  16  73.958 -16.457 -17.029
   91    HB2  GLN  16           HB2      GLN  16  74.874 -15.218 -15.092
   92    HB3  GLN  16           HB1      GLN  16  74.541 -14.153 -16.458
   93    HG2  GLN  16           HG2      GLN  16  72.137 -14.213 -15.040
   94    HG3  GLN  16           HG1      GLN  16  73.375 -14.146 -13.787
   95   HE21  GLN  16          HE21      GLN  16  71.452 -12.111 -15.471
   96   HE22  GLN  16          HE22      GLN  16  72.475 -10.763 -15.605
   97    H    SER  17           HN       SER  17  71.040 -17.056 -16.358
   98    HA   SER  17           HA       SER  17  70.075 -18.750 -15.108
   99    HB2  SER  17           HB2      SER  17  71.385 -20.188 -13.890
  100    HB3  SER  17           HB1      SER  17  72.649 -19.410 -14.837
  101    HG   SER  17           HG       SER  17  72.984 -19.488 -12.500
  102    H    GLU  18           HN       GLU  18  70.115 -15.814 -14.562
  103    HA   GLU  18           HA       GLU  18  70.014 -15.418 -11.738
  104    HB2  GLU  18           HB2      GLU  18  69.872 -13.809 -14.057
  105    HB3  GLU  18           HB1      GLU  18  68.377 -13.532 -13.161
  106    HG2  GLU  18           HG2      GLU  18  69.741 -13.168 -11.095
  107    HG3  GLU  18           HG1      GLU  18  71.199 -13.306 -12.077
  108    H    CYS  19           HN       CYS  19  68.130 -14.980 -10.461
  109    HA   CYS  19           HA       CYS  19  65.991 -15.354  -9.700
  110    HB2  CYS  19           HB2      CYS  19  64.332 -14.909 -11.164
  111    HB3  CYS  19           HB1      CYS  19  65.627 -14.627 -12.327
  112    HG   CYS  19           HG       CYS  19  65.303 -17.011 -13.261
  113    H    GLU  20           HN       GLU  20  67.895 -17.606 -11.287
  114    HA   GLU  20           HA       GLU  20  66.133 -19.886 -10.970
  115    HB2  GLU  20           HB2      GLU  20  68.008 -19.563 -12.736
  116    HB3  GLU  20           HB1      GLU  20  69.097 -20.056 -11.440
  117    HG2  GLU  20           HG2      GLU  20  67.461 -22.047 -11.117
  118    HG3  GLU  20           HG1      GLU  20  66.874 -21.630 -12.727
  119    H    TYR  21           HN       TYR  21  65.989 -18.988  -8.575
  120    HA   TYR  21           HA       TYR  21  67.764 -20.720  -6.987
  121    HB2  TYR  21           HB2      TYR  21  67.082 -17.862  -6.259
  122    HB3  TYR  21           HB1      TYR  21  68.048 -18.981  -5.297
  123    HD1  TYR  21           HD1      TYR  21  70.259 -19.773  -6.139
  124    HD2  TYR  21           HD2      TYR  21  68.004 -16.734  -8.170
  125    HE1  TYR  21           HE1      TYR  21  72.286 -19.118  -7.408
  126    HE2  TYR  21           HE2      TYR  21  70.031 -16.078  -9.440
  127    HH   TYR  21           HH       TYR  21  72.870 -17.992  -9.484
  128    H    THR  22           HN       THR  22  65.129 -18.381  -6.401
  129    HA   THR  22           HA       THR  22  63.248 -20.438  -5.708
  130    HB   THR  22           HB       THR  22  63.990 -18.671  -3.399
  131    HG1  THR  22           HG1      THR  22  65.152 -20.756  -2.790
  132   HG21  THR  22          HG21      THR  22  63.005 -20.540  -2.136
  133   HG22  THR  22          HG22      THR  22  62.784 -21.442  -3.635
  134   HG23  THR  22          HG23      THR  22  61.880 -19.953  -3.361
  135    H    ASP  23           HN       ASP  23  63.395 -18.134  -7.455
  136    HA   ASP  23           HA       ASP  23  61.014 -16.714  -6.471
  137    HB2  ASP  23           HB2      ASP  23  61.970 -14.578  -7.376
  138    HB3  ASP  23           HB1      ASP  23  62.812 -15.196  -5.956
  139    H    TRP  24           HN       TRP  24  62.039 -18.740  -8.651
  140    HA   TRP  24           HA       TRP  24  60.957 -17.359 -11.015
  141    HB2  TRP  24           HB2      TRP  24  61.951 -19.140 -12.319
  142    HB3  TRP  24           HB1      TRP  24  63.163 -18.522 -11.197
  143    HD1  TRP  24           HD1      TRP  24  63.371 -19.967  -8.820
  144    HE1  TRP  24           HE1      TRP  24  63.277 -22.525  -8.501
  145    HE3  TRP  24           HE3      TRP  24  61.058 -21.316 -13.168
  146    HZ2  TRP  24           HZ2      TRP  24  62.345 -24.836  -9.903
  147    HZ3  TRP  24           HZ3      TRP  24  60.580 -23.699 -13.650
  148    HH2  TRP  24           HH2      TRP  24  61.221 -25.459 -12.025
  149    H    LYS  25           HN       LYS  25  59.731 -18.998  -8.527
  150    HA   LYS  25           HA       LYS  25  57.472 -19.966 -10.098
  151    HB2  LYS  25           HB2      LYS  25  57.581 -22.111  -8.570
  152    HB3  LYS  25           HB1      LYS  25  58.502 -22.039 -10.073
  153    HG2  LYS  25           HG2      LYS  25  59.874 -22.858  -8.162
  154    HG3  LYS  25           HG1      LYS  25  60.511 -21.366  -8.850
  155    HD2  LYS  25           HD2      LYS  25  59.677 -20.053  -7.056
  156    HD3  LYS  25           HD1      LYS  25  58.607 -21.342  -6.506
  157    HE2  LYS  25           HE2      LYS  25  61.523 -21.949  -6.597
  158    HE3  LYS  25           HE1      LYS  25  60.968 -20.859  -5.327
  159    HZ1  LYS  25           HZ1      LYS  25  60.863 -23.091  -4.527
  160    HZ2  LYS  25           HZ2      LYS  25  59.973 -23.600  -5.881
  161    HZ3  LYS  25           HZ3      LYS  25  59.276 -22.540  -4.751
  162    H    SER  26           HN       SER  26  58.344 -17.980  -7.878
  163    HA   SER  26           HA       SER  26  55.875 -18.211  -6.371
  164    HB2  SER  26           HB2      SER  26  57.160 -19.575  -4.923
  165    HB3  SER  26           HB1      SER  26  58.582 -18.547  -5.087
  166    HG   SER  26           HG       SER  26  56.175 -17.490  -4.090
  167    H    SER  27           HN       SER  27  58.291 -16.558  -4.690
  168    HA   SER  27           HA       SER  27  58.508 -14.313  -4.208
  169    HB2  SER  27           HB2      SER  27  58.437 -13.290  -6.887
  170    HB3  SER  27           HB1      SER  27  59.827 -13.513  -5.828
  171    HG   SER  27           HG       SER  27  58.601 -15.545  -7.393
  172    H    GLY  28           HN       GLY  28  55.717 -15.458  -4.836
  173    HA2  GLY  28           HA2      GLY  28  54.296 -12.998  -4.462
  174    HA3  GLY  28           HA1      GLY  28  54.042 -13.659  -6.074
  175    H    ALA  29           HN       ALA  29  54.483 -15.404  -3.018
  176    HA   ALA  29           HA       ALA  29  51.668 -16.233  -3.065
  177    HB1  ALA  29           HB1      ALA  29  52.125 -18.288  -3.827
  178    HB2  ALA  29           HB2      ALA  29  53.181 -18.549  -2.440
  179    HB3  ALA  29           HB3      ALA  29  53.839 -17.887  -3.936
  180    H    LEU  30           HN       LEU  30  54.259 -15.074  -1.406
  181    HA   LEU  30           HA       LEU  30  53.180 -16.025   1.181
  182    HB2  LEU  30           HB2      LEU  30  56.082 -15.341   0.724
  183    HB3  LEU  30           HB1      LEU  30  55.361 -16.184   2.095
  184    HG   LEU  30           HG       LEU  30  54.567 -17.815   0.085
  185   HD11  LEU  30          HD11      LEU  30  56.159 -17.987  -1.639
  186   HD12  LEU  30          HD12      LEU  30  57.365 -17.061  -0.745
  187   HD13  LEU  30          HD13      LEU  30  55.970 -16.244  -1.451
  188   HD21  LEU  30          HD21      LEU  30  56.773 -19.093   0.644
  189   HD22  LEU  30          HD22      LEU  30  55.640 -18.760   1.955
  190   HD23  LEU  30          HD23      LEU  30  57.077 -17.757   1.754
  191    H    ILE  31           HN       ILE  31  54.545 -13.428  -0.725
  192    HA   ILE  31           HA       ILE  31  54.609 -11.528   1.426
  193    HB   ILE  31           HB       ILE  31  55.062 -11.432  -1.524
  194   HG12  ILE  31          HG12      ILE  31  57.172 -10.448  -0.789
  195   HG13  ILE  31          HG11      ILE  31  56.578 -10.350   0.869
  196   HG21  ILE  31          HG21      ILE  31  55.372  -8.895  -1.187
  197   HG22  ILE  31          HG22      ILE  31  54.353  -9.082   0.240
  198   HG23  ILE  31          HG23      ILE  31  53.717  -9.479  -1.358
  199   HD11  ILE  31          HD11      ILE  31  58.079 -12.390   0.119
  200   HD12  ILE  31          HD12      ILE  31  56.555 -13.006  -0.521
  201   HD13  ILE  31          HD13      ILE  31  56.710 -12.647   1.199
  202    HA   PRO  32           HA       PRO  32  50.468 -10.107  -0.382
  203    HB2  PRO  32           HB2      PRO  32  49.100 -11.701  -2.084
  204    HB3  PRO  32           HB1      PRO  32  50.403 -10.632  -2.635
  205    HG2  PRO  32           HG2      PRO  32  50.383 -13.561  -2.302
  206    HG3  PRO  32           HG1      PRO  32  51.337 -12.551  -3.397
  207    HD2  PRO  32           HD2      PRO  32  52.193 -13.688  -0.924
  208    HD3  PRO  32           HD1      PRO  32  53.092 -12.552  -1.949
  209    H    ALA  33           HN       ALA  33  51.116 -12.287   1.643
  210    HA   ALA  33           HA       ALA  33  48.322 -12.997   2.292
  211    HB1  ALA  33           HB1      ALA  33  50.534 -14.782   1.759
  212    HB2  ALA  33           HB2      ALA  33  48.837 -15.164   2.046
  213    HB3  ALA  33           HB3      ALA  33  49.945 -14.993   3.408
  214    H    ILE  34           HN       ILE  34  51.029 -11.339   3.175
  215    HA   ILE  34           HA       ILE  34  50.244 -11.387   6.019
  216    HB   ILE  34           HB       ILE  34  53.004 -10.768   5.875
  217   HG12  ILE  34          HG12      ILE  34  52.282 -13.348   4.447
  218   HG13  ILE  34          HG11      ILE  34  52.969 -11.921   3.670
  219   HG21  ILE  34          HG21      ILE  34  51.757 -11.818   7.755
  220   HG22  ILE  34          HG22      ILE  34  53.190 -12.746   7.312
  221   HG23  ILE  34          HG23      ILE  34  51.593 -13.290   6.798
  222   HD11  ILE  34          HD11      ILE  34  54.757 -13.507   4.159
  223   HD12  ILE  34          HD12      ILE  34  54.266 -13.577   5.851
  224   HD13  ILE  34          HD13      ILE  34  54.939 -12.087   5.189
  225    H    TYR  35           HN       TYR  35  51.606  -9.647   3.293
  226    HA   TYR  35           HA       TYR  35  51.566  -7.128   4.794
  227    HB2  TYR  35           HB2      TYR  35  52.698  -7.971   2.137
  228    HB3  TYR  35           HB1      TYR  35  52.500  -6.266   2.539
  229    HD1  TYR  35           HD2      TYR  35  53.968  -9.453   3.833
  230    HD2  TYR  35           HD1      TYR  35  54.098  -5.160   3.868
  231    HE1  TYR  35           HE2      TYR  35  56.050  -9.526   5.178
  232    HE2  TYR  35           HE1      TYR  35  56.180  -5.233   5.213
  233    HH   TYR  35           HH       TYR  35  57.978  -8.102   5.659
  234    H    MET  36           HN       MET  36  49.126  -8.640   3.947
  235    HA   MET  36           HA       MET  36  47.837  -6.438   2.457
  236    HB2  MET  36           HB2      MET  36  47.270  -9.390   2.091
  237    HB3  MET  36           HB1      MET  36  46.469  -8.060   1.253
  238    HG2  MET  36           HG2      MET  36  49.456  -8.534   1.130
  239    HG3  MET  36           HG1      MET  36  48.327  -9.176  -0.062
  240    HE1  MET  36           HE1      MET  36  50.460  -7.757  -1.211
  241    HE2  MET  36           HE2      MET  36  50.876  -6.708   0.141
  242    HE3  MET  36           HE3      MET  36  50.426  -5.999  -1.408
  243    H    LEU  37           HN       LEU  37  47.821  -8.680   5.055
  244    HA   LEU  37           HA       LEU  37  45.168  -7.687   5.912
  245    HB2  LEU  37           HB2      LEU  37  46.274 -10.397   6.637
  246    HB3  LEU  37           HB1      LEU  37  44.620  -9.810   6.811
  247    HG   LEU  37           HG       LEU  37  44.992  -9.464   4.135
  248   HD11  LEU  37          HD11      LEU  37  46.222 -11.280   3.204
  249   HD12  LEU  37          HD12      LEU  37  46.363 -12.084   4.767
  250   HD13  LEU  37          HD13      LEU  37  47.268 -10.604   4.454
  251   HD21  LEU  37          HD21      LEU  37  43.999 -11.852   5.705
  252   HD22  LEU  37          HD22      LEU  37  43.826 -11.744   3.954
  253   HD23  LEU  37          HD23      LEU  37  43.048 -10.549   4.991
  254    H    VAL  38           HN       VAL  38  48.096  -6.938   6.435
  255    HA   VAL  38           HA       VAL  38  47.783  -6.696   9.339
  256    HB   VAL  38           HB       VAL  38  50.438  -7.557   8.210
  257   HG11  VAL  38          HG11      VAL  38  50.983  -7.987  10.466
  258   HG12  VAL  38          HG12      VAL  38  49.290  -8.032  10.959
  259   HG13  VAL  38          HG13      VAL  38  50.047  -6.494  10.544
  260   HG21  VAL  38          HG21      VAL  38  48.179  -9.312   9.227
  261   HG22  VAL  38          HG22      VAL  38  49.835  -9.864   8.975
  262   HG23  VAL  38          HG23      VAL  38  48.868  -9.324   7.603
  263    H    PHE  39           HN       PHE  39  49.702  -5.896   6.461
  264    HA   PHE  39           HA       PHE  39  51.115  -3.710   7.450
  265    HB2  PHE  39           HB2      PHE  39  51.366  -4.822   5.182
  266    HB3  PHE  39           HB1      PHE  39  49.973  -3.877   4.658
  267    HD1  PHE  39           HD1      PHE  39  53.490  -3.735   5.750
  268    HD2  PHE  39           HD2      PHE  39  50.104  -1.452   4.419
  269    HE1  PHE  39           HE1      PHE  39  54.962  -1.777   5.363
  270    HE2  PHE  39           HE2      PHE  39  51.576   0.506   4.033
  271    HZ   PHE  39           HZ       PHE  39  54.004   0.344   4.505
  272    H    LEU  40           HN       LEU  40  47.762  -4.057   6.998
  273    HA   LEU  40           HA       LEU  40  47.385  -1.198   7.569
  274    HB2  LEU  40           HB2      LEU  40  45.301  -1.433   5.982
  275    HB3  LEU  40           HB1      LEU  40  46.888  -1.061   5.310
  276    HG   LEU  40           HG       LEU  40  47.249  -3.429   4.781
  277   HD11  LEU  40          HD11      LEU  40  46.104  -4.596   6.497
  278   HD12  LEU  40          HD12      LEU  40  45.168  -4.937   5.042
  279   HD13  LEU  40          HD13      LEU  40  44.597  -3.730   6.195
  280   HD21  LEU  40          HD21      LEU  40  45.334  -3.704   3.139
  281   HD22  LEU  40          HD22      LEU  40  46.167  -2.153   3.048
  282   HD23  LEU  40          HD23      LEU  40  44.605  -2.268   3.859
  283    H    LEU  41           HN       LEU  41  47.139  -3.971   8.895
  284    HA   LEU  41           HA       LEU  41  44.516  -3.427  10.108
  285    HB2  LEU  41           HB2      LEU  41  44.127  -5.220   8.494
  286    HB3  LEU  41           HB1      LEU  41  45.475  -6.141   9.157
  287    HG   LEU  41           HG       LEU  41  44.310  -6.355  11.307
  288   HD11  LEU  41          HD11      LEU  41  42.399  -4.465   9.968
  289   HD12  LEU  41          HD12      LEU  41  43.024  -4.434  11.617
  290   HD13  LEU  41          HD13      LEU  41  41.785  -5.605  11.166
  291   HD21  LEU  41          HD21      LEU  41  43.479  -7.480   8.832
  292   HD22  LEU  41          HD22      LEU  41  42.021  -7.168   9.774
  293   HD23  LEU  41          HD23      LEU  41  43.306  -8.173  10.444
  294    H    GLY  42           HN       GLY  42  47.602  -5.158  10.279
  295    HA2  GLY  42           HA2      GLY  42  47.362  -5.257  13.220
  296    HA3  GLY  42           HA1      GLY  42  48.439  -6.259  12.252
  297    H    THR  43           HN       THR  43  47.915  -2.760  12.025
  298    HA   THR  43           HA       THR  43  50.283  -2.024  13.429
  299    HB   THR  43           HB       THR  43  51.273  -3.079  11.375
  300    HG1  THR  43           HG1      THR  43  51.605  -0.450  12.192
  301   HG21  THR  43          HG21      THR  43  49.340  -2.252   9.911
  302   HG22  THR  43          HG22      THR  43  50.960  -2.090   9.235
  303   HG23  THR  43          HG23      THR  43  50.147  -0.684   9.920
  304    H    THR  44           HN       THR  44  47.781  -1.282  11.093
  305    HA   THR  44           HA       THR  44  47.944   1.408  10.710
  306    HB   THR  44           HB       THR  44  46.069   0.555   9.699
  307    HG1  THR  44           HG1      THR  44  44.780   1.998  10.462
  308   HG21  THR  44          HG21      THR  44  45.741  -1.025  12.244
  309   HG22  THR  44          HG22      THR  44  45.993  -1.621  10.605
  310   HG23  THR  44          HG23      THR  44  44.438  -0.924  11.060
  311    H    GLY  45           HN       GLY  45  47.467  -0.218  13.714
  312    HA2  GLY  45           HA2      GLY  45  48.155   1.433  15.580
  313    HA3  GLY  45           HA1      GLY  45  46.710   2.294  15.060
  314    H    ASN  46           HN       ASN  46  47.013  -1.208  15.125
  315    HA   ASN  46           HA       ASN  46  45.304  -1.334  17.519
  316    HB2  ASN  46           HB2      ASN  46  44.738  -3.039  15.102
  317    HB3  ASN  46           HB1      ASN  46  43.710  -2.744  16.503
  318   HD21  ASN  46          HD21      ASN  46  43.522  -2.114  13.405
  319   HD22  ASN  46          HD22      ASN  46  42.978  -0.506  13.399
  320    H    GLY  47           HN       GLY  47  48.174  -1.952  16.733
  321    HA2  GLY  47           HA2      GLY  47  48.208  -4.677  17.862
  322    HA3  GLY  47           HA1      GLY  47  49.170  -4.313  16.432
  323    H    LEU  48           HN       LEU  48  49.050  -1.557  18.254
  324    HA   LEU  48           HA       LEU  48  51.344  -2.269  19.950
  325    HB2  LEU  48           HB2      LEU  48  52.409  -0.065  19.177
  326    HB3  LEU  48           HB1      LEU  48  52.483  -1.426  18.057
  327    HG   LEU  48           HG       LEU  48  50.038   0.178  17.783
  328   HD11  LEU  48          HD11      LEU  48  52.742   1.404  17.151
  329   HD12  LEU  48          HD12      LEU  48  51.595   1.993  18.354
  330   HD13  LEU  48          HD13      LEU  48  51.186   2.058  16.640
  331   HD21  LEU  48          HD21      LEU  48  50.870  -1.633  16.240
  332   HD22  LEU  48          HD22      LEU  48  52.206  -0.569  15.798
  333   HD23  LEU  48          HD23      LEU  48  50.546  -0.100  15.427
  334    H    VAL  49           HN       VAL  49  48.372  -1.298  20.039
  335    HA   VAL  49           HA       VAL  49  48.847   0.717  22.146
  336    HB   VAL  49           HB       VAL  49  46.627   0.786  20.086
  337   HG11  VAL  49          HG11      VAL  49  45.709   1.686  22.058
  338   HG12  VAL  49          HG12      VAL  49  46.346   3.107  21.229
  339   HG13  VAL  49          HG13      VAL  49  47.247   2.387  22.564
  340   HG21  VAL  49          HG21      VAL  49  48.180   1.866  18.842
  341   HG22  VAL  49          HG22      VAL  49  49.321   1.917  20.186
  342   HG23  VAL  49          HG23      VAL  49  48.084   3.165  20.031
  343    H    LEU  50           HN       LEU  50  46.862  -1.869  20.836
  344    HA   LEU  50           HA       LEU  50  45.303  -1.992  23.323
  345    HB2  LEU  50           HB2      LEU  50  44.123  -2.096  21.116
  346    HB3  LEU  50           HB1      LEU  50  44.975  -3.599  20.777
  347    HG   LEU  50           HG       LEU  50  43.987  -4.593  22.843
  348   HD11  LEU  50          HD11      LEU  50  42.877  -1.826  23.056
  349   HD12  LEU  50          HD12      LEU  50  43.401  -2.928  24.328
  350   HD13  LEU  50          HD13      LEU  50  41.837  -3.163  23.548
  351   HD21  LEU  50          HD21      LEU  50  42.614  -5.317  21.186
  352   HD22  LEU  50          HD22      LEU  50  42.504  -3.715  20.456
  353   HD23  LEU  50          HD23      LEU  50  41.472  -4.134  21.823
  354    H    TRP  51           HN       TRP  51  47.264  -4.094  21.218
  355    HA   TRP  51           HA       TRP  51  47.262  -6.348  22.914
  356    HB2  TRP  51           HB2      TRP  51  48.246  -7.164  21.073
  357    HB3  TRP  51           HB1      TRP  51  48.542  -5.535  20.465
  358    HD1  TRP  51           HD1      TRP  51  50.828  -4.322  21.306
  359    HE1  TRP  51           HE1      TRP  51  53.107  -5.343  21.948
  360    HE3  TRP  51           HE3      TRP  51  49.433  -9.171  22.090
  361    HZ2  TRP  51           HZ2      TRP  51  54.194  -7.881  22.695
  362    HZ3  TRP  51           HZ3      TRP  51  51.108 -10.868  22.766
  363    HH2  TRP  51           HH2      TRP  51  53.485 -10.229  23.068
  364    H    THR  52           HN       THR  52  48.727  -3.317  23.276
  365    HA   THR  52           HA       THR  52  50.871  -4.330  25.002
  366    HB   THR  52           HB       THR  52  51.130  -2.423  23.257
  367    HG1  THR  52           HG1      THR  52  52.421  -3.055  25.297
  368   HG21  THR  52          HG21      THR  52  50.196  -0.699  25.530
  369   HG22  THR  52          HG22      THR  52  49.028  -1.298  24.354
  370   HG23  THR  52          HG23      THR  52  50.373  -0.290  23.824
  371    H    VAL  53           HN       VAL  53  47.682  -3.155  25.186
  372    HA   VAL  53           HA       VAL  53  47.824  -1.903  27.755
  373    HB   VAL  53           HB       VAL  53  45.541  -2.964  26.091
  374   HG11  VAL  53          HG11      VAL  53  44.692  -3.230  28.270
  375   HG12  VAL  53          HG12      VAL  53  44.178  -1.599  27.839
  376   HG13  VAL  53          HG13      VAL  53  45.578  -1.835  28.884
  377   HG21  VAL  53          HG21      VAL  53  45.737  -0.133  26.930
  378   HG22  VAL  53          HG22      VAL  53  45.337  -0.814  25.354
  379   HG23  VAL  53          HG23      VAL  53  47.022  -0.681  25.854
  380    H    PHE  54           HN       PHE  54  46.622  -5.079  26.654
  381    HA   PHE  54           HA       PHE  54  46.270  -6.015  29.364
  382    HB2  PHE  54           HB2      PHE  54  45.225  -7.835  28.436
  383    HB3  PHE  54           HB1      PHE  54  45.058  -6.708  27.089
  384    HD1  PHE  54           HD2      PHE  54  47.018  -6.662  25.360
  385    HD2  PHE  54           HD1      PHE  54  46.300  -9.892  28.099
  386    HE1  PHE  54           HE2      PHE  54  48.352  -8.179  23.922
  387    HE2  PHE  54           HE1      PHE  54  47.635 -11.409  26.661
  388    HZ   PHE  54           HZ       PHE  54  48.661 -10.552  24.572
  389    H    ARG  55           HN       ARG  55  48.986  -5.194  28.247
  390    HA   ARG  55           HA       ARG  55  50.429  -7.671  28.993
  391    HB2  ARG  55           HB2      ARG  55  50.774  -7.252  26.639
  392    HB3  ARG  55           HB1      ARG  55  51.211  -5.574  26.960
  393    HG2  ARG  55           HG2      ARG  55  53.215  -6.202  28.093
  394    HG3  ARG  55           HG1      ARG  55  52.713  -7.888  28.194
  395    HD2  ARG  55           HD2      ARG  55  52.730  -7.015  25.434
  396    HD3  ARG  55           HD1      ARG  55  54.287  -6.699  26.185
  397    HE   ARG  55           HE       ARG  55  54.597  -9.004  26.465
  398   HH11  ARG  55          HH21      ARG  55  51.431  -8.250  25.290
  399   HH12  ARG  55          HH22      ARG  55  51.054  -9.883  24.865
  400   HH21  ARG  55          HH11      ARG  55  54.108 -11.146  25.909
  401   HH22  ARG  55          HH12      ARG  55  52.566 -11.523  25.215
  402    H    LYS  56           HN       LYS  56  50.662  -4.119  28.835
  403    HA   LYS  56           HA       LYS  56  52.892  -3.770  30.459
  404    HB2  LYS  56           HB2      LYS  56  51.877  -1.524  30.991
  405    HB3  LYS  56           HB1      LYS  56  51.991  -1.894  29.270
  406    HG2  LYS  56           HG2      LYS  56  49.766  -1.673  29.049
  407    HG3  LYS  56           HG1      LYS  56  49.501  -2.915  30.274
  408    HD2  LYS  56           HD2      LYS  56  49.711  -1.250  32.052
  409    HD3  LYS  56           HD1      LYS  56  50.054   0.005  30.862
  410    HE2  LYS  56           HE2      LYS  56  47.790  -0.657  29.800
  411    HE3  LYS  56           HE1      LYS  56  47.469  -1.481  31.325
  412    HZ1  LYS  56           HZ1      LYS  56  47.369   1.293  30.734
  413    HZ2  LYS  56           HZ2      LYS  56  48.448   0.996  32.012
  414    HZ3  LYS  56           HZ3      LYS  56  46.835   0.474  32.119
  415    H    LYS  57           HN       LYS  57  49.758  -4.887  31.291
  416    HA   LYS  57           HA       LYS  57  49.772  -4.093  34.045
  417    HB2  LYS  57           HB2      LYS  57  48.254  -6.443  32.925
  418    HB3  LYS  57           HB1      LYS  57  47.813  -5.390  34.269
  419    HG2  LYS  57           HG2      LYS  57  48.072  -3.592  32.202
  420    HG3  LYS  57           HG1      LYS  57  47.417  -5.008  31.378
  421    HD2  LYS  57           HD2      LYS  57  45.503  -3.822  32.109
  422    HD3  LYS  57           HD1      LYS  57  45.699  -5.108  33.299
  423    HE2  LYS  57           HE2      LYS  57  45.612  -3.439  34.835
  424    HE3  LYS  57           HE1      LYS  57  47.276  -3.111  34.351
  425    HZ1  LYS  57           HZ1      LYS  57  46.671  -1.321  33.130
  426    HZ2  LYS  57           HZ2      LYS  57  45.396  -1.279  34.252
  427    HZ3  LYS  57           HZ3      LYS  57  45.155  -1.957  32.713
  428    H    GLY  58           HN       GLY  58  51.313  -6.575  32.246
  429    HA2  GLY  58           HA2      GLY  58  53.083  -7.457  34.088
  430    HA3  GLY  58           HA1      GLY  58  51.647  -8.402  34.469
  431    H    HIS  59           HN       HIS  59  54.223  -7.879  32.206
  432    HA   HIS  59           HA       HIS  59  53.557  -9.211  29.938
  433    HB2  HIS  59           HB2      HIS  59  56.033  -8.831  31.456
  434    HB3  HIS  59           HB1      HIS  59  56.045 -10.282  30.454
  435    HD2  HIS  59           HD2      HIS  59  55.498  -6.381  29.933
  436    HE1  HIS  59           HE1      HIS  59  56.539  -8.128  26.234
  437    HE2  HIS  59           HE2      HIS  59  56.067  -5.935  27.425
  438    H    HIS  60           HN       HIS  60  53.797 -10.562  33.118
  439    HA   HIS  60           HA       HIS  60  52.983 -13.175  32.037
  440    HB2  HIS  60           HB2      HIS  60  54.743 -14.303  32.879
  441    HB3  HIS  60           HB1      HIS  60  55.541 -12.734  32.984
  442    HD2  HIS  60           HD2      HIS  60  55.642 -11.618  35.610
  443    HE1  HIS  60           HE1      HIS  60  54.064 -15.009  37.568
  444    HE2  HIS  60           HE2      HIS  60  55.190 -12.759  37.914
  445    H    HIS  61           HN       HIS  61  52.141 -10.655  33.848
  446    HA   HIS  61           HA       HIS  61  50.573 -10.311  35.490
  447    HB2  HIS  61           HB2      HIS  61  48.786 -11.661  35.289
  448    HB3  HIS  61           HB1      HIS  61  49.738 -12.588  34.128
  449    HD2  HIS  61           HD2      HIS  61  50.297 -15.173  34.962
  450    HE1  HIS  61           HE1      HIS  61  49.288 -14.697  39.034
  451    HE2  HIS  61           HE2      HIS  61  50.007 -16.370  37.264
  452    H    HIS  62           HN       HIS  62  50.908 -10.034  37.604
  453    HA   HIS  62           HA       HIS  62  52.011 -12.212  39.218
  454    HB2  HIS  62           HB2      HIS  62  54.021 -11.086  38.483
  455    HB3  HIS  62           HB1      HIS  62  53.347  -9.514  38.914
  456    HD2  HIS  62           HD2      HIS  62  52.893 -12.452  41.462
  457    HE1  HIS  62           HE1      HIS  62  55.777  -9.805  43.043
  458    HE2  HIS  62           HE2      HIS  62  54.348 -11.844  43.543
  459    H    HIS  63           HN       HIS  63  50.553 -12.360  40.801
  460    HA   HIS  63           HA       HIS  63  49.767  -9.901  42.221
  461    HB2  HIS  63           HB2      HIS  63  48.009 -10.945  40.560
  462    HB3  HIS  63           HB1      HIS  63  47.781 -12.109  41.866
  463    HD2  HIS  63           HD2      HIS  63  48.406  -9.425  44.098
  464    HE1  HIS  63           HE1      HIS  63  44.545  -8.389  42.741
  465    HE2  HIS  63           HE2      HIS  63  46.284  -7.969  44.544
  466    H    HIS  64           HN       HIS  64  47.933 -11.574  43.807
  467    HA   HIS  64           HA       HIS  64  49.904 -12.530  45.734
  468    HB2  HIS  64           HB2      HIS  64  47.928 -12.770  47.231
  469    HB3  HIS  64           HB1      HIS  64  48.102 -11.139  46.583
  470    HD2  HIS  64           HD2      HIS  64  45.785 -14.299  46.008
  471    HE1  HIS  64           HE1      HIS  64  43.975 -10.945  44.194
  472    HE2  HIS  64           HE2      HIS  64  43.667 -13.397  44.777
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  79.369 -50.714   9.371
    2    H2   MET   1           HT2      MET   1  78.278 -49.973   8.300
    3    H3   MET   1           HT3      MET   1  77.902 -50.093   9.953
    4    HA   MET   1           HA       MET   1  78.969 -48.229  10.442
    5    HB2  MET   1           HB2      MET   1  81.223 -49.022   8.584
    6    HB3  MET   1           HB1      MET   1  81.298 -47.935   9.972
    7    HG2  MET   1           HG2      MET   1  80.291 -50.266  11.073
    8    HG3  MET   1           HG1      MET   1  81.453 -50.862   9.889
    9    HE1  MET   1           HE1      MET   1  84.601 -48.854  10.642
   10    HE2  MET   1           HE2      MET   1  83.430 -49.281   9.398
   11    HE3  MET   1           HE3      MET   1  84.266 -50.554  10.285
   12    H    GLU   2           HN       GLU   2  79.487 -49.052   7.010
   13    HA   GLU   2           HA       GLU   2  78.827 -47.946   5.096
   14    HB2  GLU   2           HB2      GLU   2  76.847 -47.291   6.760
   15    HB3  GLU   2           HB1      GLU   2  77.588 -45.697   6.607
   16    HG2  GLU   2           HG2      GLU   2  77.471 -45.907   4.134
   17    HG3  GLU   2           HG1      GLU   2  76.657 -47.458   4.322
   18    H    GLU   3           HN       GLU   3  79.822 -45.779   7.738
   19    HA   GLU   3           HA       GLU   3  81.319 -44.035   7.799
   20    HB2  GLU   3           HB2      GLU   3  82.505 -46.150   6.239
   21    HB3  GLU   3           HB1      GLU   3  83.038 -44.580   5.635
   22    HG2  GLU   3           HG2      GLU   3  83.710 -43.910   7.895
   23    HG3  GLU   3           HG1      GLU   3  83.124 -45.443   8.541
   24    H    GLY   4           HN       GLY   4  80.180 -42.245   7.221
   25    HA2  GLY   4           HA2      GLY   4  80.780 -40.928   4.804
   26    HA3  GLY   4           HA1      GLY   4  79.177 -41.646   4.666
   27    H    GLY   5           HN       GLY   5  77.467 -40.766   5.782
   28    HA2  GLY   5           HA2      GLY   5  76.268 -38.997   6.665
   29    HA3  GLY   5           HA1      GLY   5  77.409 -39.164   7.996
   30    H    ASP   6           HN       ASP   6  78.246 -38.222   4.705
   31    HA   ASP   6           HA       ASP   6  79.510 -35.806   5.704
   32    HB2  ASP   6           HB2      ASP   6  79.270 -36.782   2.850
   33    HB3  ASP   6           HB1      ASP   6  80.394 -35.572   3.467
   34    H    PHE   7           HN       PHE   7  77.287 -36.402   2.970
   35    HA   PHE   7           HA       PHE   7  75.659 -35.079   2.031
   36    HB2  PHE   7           HB2      PHE   7  75.320 -34.509   4.974
   37    HB3  PHE   7           HB1      PHE   7  74.246 -33.822   3.755
   38    HD1  PHE   7           HD1      PHE   7  75.628 -37.059   5.010
   39    HD2  PHE   7           HD2      PHE   7  72.476 -35.095   2.851
   40    HE1  PHE   7           HE1      PHE   7  74.357 -39.187   4.929
   41    HE2  PHE   7           HE2      PHE   7  71.205 -37.224   2.770
   42    HZ   PHE   7           HZ       PHE   7  72.146 -39.270   3.808
   43    H    ASP   8           HN       ASP   8  78.239 -34.007   1.895
   44    HA   ASP   8           HA       ASP   8  77.701 -31.106   2.153
   45    HB2  ASP   8           HB2      ASP   8  79.961 -30.708   2.690
   46    HB3  ASP   8           HB1      ASP   8  79.523 -32.114   3.658
   47    H    ASN   9           HN       ASN   9  76.920 -32.600  -0.092
   48    HA   ASN   9           HA       ASN   9  78.398 -31.197  -2.151
   49    HB2  ASN   9           HB2      ASN   9  78.771 -34.076  -1.656
   50    HB3  ASN   9           HB1      ASN   9  78.390 -33.662  -3.327
   51   HD21  ASN   9          HD21      ASN   9  79.695 -31.313  -3.801
   52   HD22  ASN   9          HD22      ASN   9  81.360 -31.462  -3.506
   53    H    TYR  10           HN       TYR  10  76.754 -30.274  -3.197
   54    HA   TYR  10           HA       TYR  10  74.646 -29.952  -4.090
   55    HB2  TYR  10           HB2      TYR  10  76.046 -31.741  -5.574
   56    HB3  TYR  10           HB1      TYR  10  74.609 -32.693  -5.199
   57    HD1  TYR  10           HD1      TYR  10  75.888 -29.674  -6.876
   58    HD2  TYR  10           HD2      TYR  10  72.395 -32.003  -5.969
   59    HE1  TYR  10           HE1      TYR  10  74.601 -28.405  -8.575
   60    HE2  TYR  10           HE2      TYR  10  71.108 -30.734  -7.668
   61    HH   TYR  10           HH       TYR  10  72.469 -28.927 -10.030
   62    H    TYR  11           HN       TYR  11  74.827 -31.344  -1.414
   63    HA   TYR  11           HA       TYR  11  72.054 -32.326  -1.399
   64    HB2  TYR  11           HB2      TYR  11  74.466 -33.881  -0.785
   65    HB3  TYR  11           HB1      TYR  11  73.248 -33.925   0.491
   66    HD1  TYR  11           HD2      TYR  11  73.980 -34.741  -3.027
   67    HD2  TYR  11           HD1      TYR  11  71.036 -34.876   0.098
   68    HE1  TYR  11           HE2      TYR  11  72.626 -36.325  -4.371
   69    HE2  TYR  11           HE1      TYR  11  69.682 -36.462  -1.247
   70    HH   TYR  11           HH       TYR  11  70.534 -37.246  -4.569
   71    H    GLY  12           HN       GLY  12  71.157 -30.703  -0.247
   72    HA2  GLY  12           HA2      GLY  12  70.867 -30.396   2.314
   73    HA3  GLY  12           HA1      GLY  12  72.509 -29.771   2.199
   74    H    ALA  13           HN       ALA  13  72.137 -28.523  -0.387
   75    HA   ALA  13           HA       ALA  13  69.966 -26.733  -0.451
   76    HB1  ALA  13           HB1      ALA  13  72.347 -25.870   1.151
   77    HB2  ALA  13           HB2      ALA  13  70.633 -25.590   1.456
   78    HB3  ALA  13           HB3      ALA  13  71.465 -24.675   0.200
   79    H    ASP  14           HN       ASP  14  73.340 -25.731  -0.752
   80    HA   ASP  14           HA       ASP  14  74.512 -24.954  -2.575
   81    HB2  ASP  14           HB2      ASP  14  73.978 -27.623  -2.929
   82    HB3  ASP  14           HB1      ASP  14  73.378 -26.925  -4.433
   83    H    ASN  15           HN       ASN  15  71.679 -24.029  -2.165
   84    HA   ASN  15           HA       ASN  15  71.368 -22.810  -4.818
   85    HB2  ASN  15           HB2      ASN  15  68.842 -23.137  -4.539
   86    HB3  ASN  15           HB1      ASN  15  69.781 -24.551  -5.012
   87   HD21  ASN  15          HD21      ASN  15  68.747 -26.279  -3.965
   88   HD22  ASN  15          HD22      ASN  15  68.396 -26.315  -2.304
   89    H    GLN  16           HN       GLN  16  72.497 -21.336  -3.024
   90    HA   GLN  16           HA       GLN  16  70.897 -20.070  -1.076
   91    HB2  GLN  16           HB2      GLN  16  73.164 -18.749  -2.568
   92    HB3  GLN  16           HB1      GLN  16  72.635 -18.460  -0.910
   93    HG2  GLN  16           HG2      GLN  16  74.258 -19.923  -0.320
   94    HG3  GLN  16           HG1      GLN  16  73.155 -21.168  -0.901
   95   HE21  GLN  16          HE21      GLN  16  74.389 -22.610  -2.122
   96   HE22  GLN  16          HE22      GLN  16  75.523 -22.153  -3.300
   97    H    SER  17           HN       SER  17  71.693 -19.117  -4.416
   98    HA   SER  17           HA       SER  17  69.198 -17.562  -4.495
   99    HB2  SER  17           HB2      SER  17  71.514 -16.315  -5.847
  100    HB3  SER  17           HB1      SER  17  70.176 -15.567  -4.979
  101    HG   SER  17           HG       SER  17  71.411 -15.500  -3.291
  102    H    GLU  18           HN       GLU  18  70.849 -20.015  -5.736
  103    HA   GLU  18           HA       GLU  18  70.575 -19.426  -8.569
  104    HB2  GLU  18           HB2      GLU  18  72.405 -20.879  -7.516
  105    HB3  GLU  18           HB1      GLU  18  71.162 -22.120  -7.350
  106    HG2  GLU  18           HG2      GLU  18  70.699 -21.629  -9.877
  107    HG3  GLU  18           HG1      GLU  18  72.316 -20.929  -9.858
  108    H    CYS  19           HN       CYS  19  68.323 -19.054  -8.744
  109    HA   CYS  19           HA       CYS  19  66.782 -21.303  -9.451
  110    HB2  CYS  19           HB2      CYS  19  65.025 -20.964  -7.584
  111    HB3  CYS  19           HB1      CYS  19  66.473 -21.892  -7.197
  112    HG   CYS  19           HG       CYS  19  67.267 -20.071  -5.677
  113    H    GLU  20           HN       GLU  20  67.173 -19.201 -10.934
  114    HA   GLU  20           HA       GLU  20  64.982 -17.285 -10.539
  115    HB2  GLU  20           HB2      GLU  20  67.169 -16.337 -11.070
  116    HB3  GLU  20           HB1      GLU  20  67.264 -17.324 -12.530
  117    HG2  GLU  20           HG2      GLU  20  65.755 -16.026 -13.672
  118    HG3  GLU  20           HG1      GLU  20  64.831 -15.640 -12.221
  119    H    TYR  21           HN       TYR  21  65.579 -20.192 -12.104
  120    HA   TYR  21           HA       TYR  21  64.529 -20.097 -14.610
  121    HB2  TYR  21           HB2      TYR  21  64.378 -22.103 -12.417
  122    HB3  TYR  21           HB1      TYR  21  63.308 -22.335 -13.800
  123    HD1  TYR  21           HD1      TYR  21  64.282 -22.449 -16.120
  124    HD2  TYR  21           HD2      TYR  21  66.730 -22.477 -12.591
  125    HE1  TYR  21           HE1      TYR  21  66.185 -23.324 -17.447
  126    HE2  TYR  21           HE2      TYR  21  68.633 -23.352 -13.918
  127    HH   TYR  21           HH       TYR  21  69.348 -23.312 -16.352
  128    H    THR  22           HN       THR  22  62.452 -20.814 -11.795
  129    HA   THR  22           HA       THR  22  60.389 -19.033 -12.868
  130    HB   THR  22           HB       THR  22  58.665 -20.812 -12.676
  131    HG1  THR  22           HG1      THR  22  60.549 -22.807 -12.794
  132   HG21  THR  22          HG21      THR  22  59.910 -20.244 -14.829
  133   HG22  THR  22          HG22      THR  22  59.147 -21.833 -14.778
  134   HG23  THR  22          HG23      THR  22  60.886 -21.681 -14.531
  135    H    ASP  23           HN       ASP  23  62.232 -19.675 -10.397
  136    HA   ASP  23           HA       ASP  23  60.139 -19.624  -8.325
  137    HB2  ASP  23           HB2      ASP  23  62.764 -20.779  -8.493
  138    HB3  ASP  23           HB1      ASP  23  62.711 -19.637  -7.150
  139    H    TRP  24           HN       TRP  24  61.242 -17.388 -10.183
  140    HA   TRP  24           HA       TRP  24  62.246 -15.495  -8.192
  141    HB2  TRP  24           HB2      TRP  24  62.621 -14.007 -10.069
  142    HB3  TRP  24           HB1      TRP  24  63.250 -15.604 -10.476
  143    HD1  TRP  24           HD1      TRP  24  61.533 -17.193 -11.963
  144    HE1  TRP  24           HE1      TRP  24  59.938 -16.492 -13.864
  145    HE3  TRP  24           HE3      TRP  24  61.180 -12.185 -11.022
  146    HZ2  TRP  24           HZ2      TRP  24  58.679 -14.123 -14.854
  147    HZ3  TRP  24           HZ3      TRP  24  59.778 -10.732 -12.458
  148    HH2  TRP  24           HH2      TRP  24  58.529 -11.694 -14.371
  149    H    LYS  25           HN       LYS  25  59.304 -16.629  -8.906
  150    HA   LYS  25           HA       LYS  25  57.995 -14.194  -7.989
  151    HB2  LYS  25           HB2      LYS  25  56.218 -14.652  -9.881
  152    HB3  LYS  25           HB1      LYS  25  57.643 -13.670 -10.216
  153    HG2  LYS  25           HG2      LYS  25  57.244 -15.387 -11.976
  154    HG3  LYS  25           HG1      LYS  25  58.797 -15.604 -11.169
  155    HD2  LYS  25           HD2      LYS  25  57.999 -17.437  -9.887
  156    HD3  LYS  25           HD1      LYS  25  56.314 -17.053 -10.243
  157    HE2  LYS  25           HE2      LYS  25  58.365 -17.978 -12.277
  158    HE3  LYS  25           HE1      LYS  25  57.099 -18.985 -11.577
  159    HZ1  LYS  25           HZ1      LYS  25  56.768 -16.607 -13.312
  160    HZ2  LYS  25           HZ2      LYS  25  55.484 -17.302 -12.444
  161    HZ3  LYS  25           HZ3      LYS  25  56.294 -18.202 -13.637
  162    H    SER  26           HN       SER  26  58.526 -17.198  -7.376
  163    HA   SER  26           HA       SER  26  55.742 -18.066  -6.986
  164    HB2  SER  26           HB2      SER  26  57.817 -19.497  -7.916
  165    HB3  SER  26           HB1      SER  26  58.015 -19.808  -6.193
  166    HG   SER  26           HG       SER  26  55.416 -19.942  -7.038
  167    H    SER  27           HN       SER  27  58.792 -17.708  -5.179
  168    HA   SER  27           HA       SER  27  57.405 -18.029  -2.641
  169    HB2  SER  27           HB2      SER  27  59.668 -17.722  -1.668
  170    HB3  SER  27           HB1      SER  27  59.627 -19.002  -2.877
  171    HG   SER  27           HG       SER  27  61.393 -17.473  -3.086
  172    H    GLY  28           HN       GLY  28  56.772 -15.743  -4.416
  173    HA2  GLY  28           HA2      GLY  28  57.235 -13.610  -2.436
  174    HA3  GLY  28           HA1      GLY  28  57.577 -13.300  -4.136
  175    H    ALA  29           HN       ALA  29  55.049 -15.447  -3.967
  176    HA   ALA  29           HA       ALA  29  53.105 -13.294  -4.458
  177    HB1  ALA  29           HB1      ALA  29  53.630 -15.495  -5.942
  178    HB2  ALA  29           HB2      ALA  29  52.060 -14.692  -5.920
  179    HB3  ALA  29           HB3      ALA  29  52.337 -16.116  -4.915
  180    H    LEU  30           HN       LEU  30  54.100 -15.292  -1.992
  181    HA   LEU  30           HA       LEU  30  51.409 -15.409  -0.772
  182    HB2  LEU  30           HB2      LEU  30  53.866 -16.926   0.115
  183    HB3  LEU  30           HB1      LEU  30  52.187 -17.221   0.570
  184    HG   LEU  30           HG       LEU  30  53.373 -17.550  -2.201
  185   HD11  LEU  30          HD11      LEU  30  52.919 -19.924  -1.853
  186   HD12  LEU  30          HD12      LEU  30  52.220 -19.586  -0.270
  187   HD13  LEU  30          HD13      LEU  30  53.943 -19.330  -0.546
  188   HD21  LEU  30          HD21      LEU  30  50.994 -18.646  -2.482
  189   HD22  LEU  30          HD22      LEU  30  51.171 -16.898  -2.633
  190   HD23  LEU  30          HD23      LEU  30  50.565 -17.597  -1.131
  191    H    ILE  31           HN       ILE  31  54.487 -13.920  -0.611
  192    HA   ILE  31           HA       ILE  31  54.440 -13.292   2.188
  193    HB   ILE  31           HB       ILE  31  56.217 -12.818  -0.091
  194   HG12  ILE  31          HG12      ILE  31  57.900 -13.111   1.660
  195   HG13  ILE  31          HG11      ILE  31  56.659 -12.954   2.904
  196   HG21  ILE  31          HG21      ILE  31  57.323 -10.842   1.004
  197   HG22  ILE  31          HG22      ILE  31  55.904 -10.670   2.033
  198   HG23  ILE  31          HG23      ILE  31  55.762 -10.463   0.283
  199   HD11  ILE  31          HD11      ILE  31  55.907 -15.079   2.597
  200   HD12  ILE  31          HD12      ILE  31  57.480 -15.342   1.845
  201   HD13  ILE  31          HD13      ILE  31  56.072 -14.984   0.844
  202    HA   PRO  32           HA       PRO  32  52.700  -9.141   0.719
  203    HB2  PRO  32           HB2      PRO  32  51.842  -8.845  -1.838
  204    HB3  PRO  32           HB1      PRO  32  53.541  -8.643  -1.373
  205    HG2  PRO  32           HG2      PRO  32  52.241 -10.841  -2.832
  206    HG3  PRO  32           HG1      PRO  32  53.923 -10.295  -2.868
  207    HD2  PRO  32           HD2      PRO  32  52.864 -12.525  -1.431
  208    HD3  PRO  32           HD1      PRO  32  54.522 -11.895  -1.368
  209    H    ALA  33           HN       ALA  33  51.281 -12.118   0.314
  210    HA   ALA  33           HA       ALA  33  48.544 -11.083   0.027
  211    HB1  ALA  33           HB1      ALA  33  49.157 -13.993   0.329
  212    HB2  ALA  33           HB2      ALA  33  49.581 -13.195  -1.185
  213    HB3  ALA  33           HB3      ALA  33  47.906 -13.203  -0.631
  214    H    ILE  34           HN       ILE  34  50.557 -11.179   2.464
  215    HA   ILE  34           HA       ILE  34  48.464 -11.906   4.404
  216    HB   ILE  34           HB       ILE  34  51.369 -12.670   4.746
  217   HG12  ILE  34          HG12      ILE  34  48.994 -14.388   3.952
  218   HG13  ILE  34          HG11      ILE  34  50.337 -13.950   2.895
  219   HG21  ILE  34          HG21      ILE  34  49.254 -12.390   6.565
  220   HG22  ILE  34          HG22      ILE  34  50.772 -13.243   6.844
  221   HG23  ILE  34          HG23      ILE  34  49.359 -14.123   6.262
  222   HD11  ILE  34          HD11      ILE  34  51.896 -15.040   4.542
  223   HD12  ILE  34          HD12      ILE  34  50.772 -16.163   3.777
  224   HD13  ILE  34          HD13      ILE  34  50.481 -15.611   5.426
  225    H    TYR  35           HN       TYR  35  51.463 -10.197   3.686
  226    HA   TYR  35           HA       TYR  35  51.562  -8.731   6.138
  227    HB2  TYR  35           HB2      TYR  35  53.006  -8.732   3.558
  228    HB3  TYR  35           HB1      TYR  35  52.967  -7.184   4.405
  229    HD1  TYR  35           HD1      TYR  35  53.961  -6.937   6.636
  230    HD2  TYR  35           HD2      TYR  35  54.127 -10.670   4.518
  231    HE1  TYR  35           HE1      TYR  35  55.698  -7.752   8.207
  232    HE2  TYR  35           HE2      TYR  35  55.865 -11.484   6.088
  233    HH   TYR  35           HH       TYR  35  57.034 -11.046   7.921
  234    H    MET  36           HN       MET  36  49.274  -8.668   3.832
  235    HA   MET  36           HA       MET  36  48.895  -5.748   3.877
  236    HB2  MET  36           HB2      MET  36  47.508  -7.882   2.237
  237    HB3  MET  36           HB1      MET  36  47.227  -6.146   2.108
  238    HG2  MET  36           HG2      MET  36  50.003  -7.281   1.813
  239    HG3  MET  36           HG1      MET  36  48.894  -7.238   0.441
  240    HE1  MET  36           HE1      MET  36  51.511  -5.857   0.060
  241    HE2  MET  36           HE2      MET  36  51.741  -5.680   1.798
  242    HE3  MET  36           HE3      MET  36  51.769  -4.254   0.762
  243    H    LEU  37           HN       LEU  37  46.981  -8.735   4.290
  244    HA   LEU  37           HA       LEU  37  44.834  -7.335   5.604
  245    HB2  LEU  37           HB2      LEU  37  45.286 -10.317   5.637
  246    HB3  LEU  37           HB1      LEU  37  43.759  -9.439   5.737
  247    HG   LEU  37           HG       LEU  37  45.588  -9.636   3.329
  248   HD11  LEU  37          HD11      LEU  37  43.603 -10.693   2.300
  249   HD12  LEU  37          HD12      LEU  37  42.732 -10.535   3.826
  250   HD13  LEU  37          HD13      LEU  37  44.140 -11.592   3.718
  251   HD21  LEU  37          HD21      LEU  37  43.581  -8.340   2.285
  252   HD22  LEU  37          HD22      LEU  37  44.769  -7.430   3.218
  253   HD23  LEU  37          HD23      LEU  37  43.224  -7.870   3.947
  254    H    VAL  38           HN       VAL  38  47.736  -7.523   6.698
  255    HA   VAL  38           HA       VAL  38  46.901  -8.046   9.473
  256    HB   VAL  38           HB       VAL  38  49.501  -9.026   8.270
  257   HG11  VAL  38          HG11      VAL  38  48.249  -9.304  11.018
  258   HG12  VAL  38          HG12      VAL  38  49.726  -8.429  10.619
  259   HG13  VAL  38          HG13      VAL  38  49.678 -10.187  10.484
  260   HG21  VAL  38          HG21      VAL  38  47.027 -10.547   9.158
  261   HG22  VAL  38          HG22      VAL  38  48.536 -11.276   8.610
  262   HG23  VAL  38          HG23      VAL  38  47.553 -10.334   7.489
  263    H    PHE  39           HN       PHE  39  49.952  -7.190   7.837
  264    HA   PHE  39           HA       PHE  39  50.943  -5.414   9.675
  265    HB2  PHE  39           HB2      PHE  39  51.818  -6.230   7.293
  266    HB3  PHE  39           HB1      PHE  39  51.212  -4.646   6.807
  267    HD1  PHE  39           HD1      PHE  39  53.554  -6.413   9.079
  268    HD2  PHE  39           HD2      PHE  39  52.298  -2.620   7.501
  269    HE1  PHE  39           HE1      PHE  39  55.570  -5.342  10.048
  270    HE2  PHE  39           HE2      PHE  39  54.314  -1.549   8.470
  271    HZ   PHE  39           HZ       PHE  39  55.950  -2.910   9.744
  272    H    LEU  40           HN       LEU  40  48.702  -4.681   7.011
  273    HA   LEU  40           HA       LEU  40  48.306  -1.984   8.119
  274    HB2  LEU  40           HB2      LEU  40  47.690  -3.239   5.449
  275    HB3  LEU  40           HB1      LEU  40  46.975  -1.702   5.937
  276    HG   LEU  40           HG       LEU  40  49.890  -1.909   6.376
  277   HD11  LEU  40          HD11      LEU  40  50.355  -1.450   3.951
  278   HD12  LEU  40          HD12      LEU  40  48.682  -1.880   3.595
  279   HD13  LEU  40          HD13      LEU  40  49.782  -3.090   4.255
  280   HD21  LEU  40          HD21      LEU  40  49.823   0.382   5.724
  281   HD22  LEU  40          HD22      LEU  40  48.340   0.124   6.641
  282   HD23  LEU  40          HD23      LEU  40  48.289   0.176   4.879
  283    H    LEU  41           HN       LEU  41  47.244  -3.828   9.764
  284    HA   LEU  41           HA       LEU  41  44.502  -3.121   9.851
  285    HB2  LEU  41           HB2      LEU  41  44.156  -4.709   8.087
  286    HB3  LEU  41           HB1      LEU  41  45.166  -5.910   8.886
  287    HG   LEU  41           HG       LEU  41  43.550  -6.217  10.647
  288   HD11  LEU  41          HD11      LEU  41  42.281  -3.756   9.444
  289   HD12  LEU  41          HD12      LEU  41  42.754  -4.041  11.120
  290   HD13  LEU  41          HD13      LEU  41  41.348  -4.867  10.448
  291   HD21  LEU  41          HD21      LEU  41  41.589  -6.968   9.367
  292   HD22  LEU  41          HD22      LEU  41  43.075  -7.369   8.506
  293   HD23  LEU  41          HD23      LEU  41  42.102  -5.991   7.991
  294    H    GLY  42           HN       GLY  42  46.361  -6.055  10.696
  295    HA2  GLY  42           HA2      GLY  42  45.333  -6.499  13.215
  296    HA3  GLY  42           HA1      GLY  42  46.979  -6.914  12.745
  297    H    THR  43           HN       THR  43  47.176  -3.834  12.182
  298    HA   THR  43           HA       THR  43  47.451  -2.928  14.971
  299    HB   THR  43           HB       THR  43  49.673  -3.518  14.628
  300    HG1  THR  43           HG1      THR  43  50.582  -1.396  13.630
  301   HG21  THR  43          HG21      THR  43  50.676  -2.781  12.247
  302   HG22  THR  43          HG22      THR  43  48.994  -3.023  11.772
  303   HG23  THR  43          HG23      THR  43  49.905  -4.347  12.499
  304    H    THR  44           HN       THR  44  48.942  -1.194  12.386
  305    HA   THR  44           HA       THR  44  48.498   0.851  11.440
  306    HB   THR  44           HB       THR  44  46.456   1.065  10.378
  307    HG1  THR  44           HG1      THR  44  44.540   0.620  11.346
  308   HG21  THR  44          HG21      THR  44  47.494  -1.378  10.331
  309   HG22  THR  44          HG22      THR  44  45.948  -1.036   9.554
  310   HG23  THR  44          HG23      THR  44  45.986  -1.786  11.149
  311    H    GLY  45           HN       GLY  45  47.900   0.145  14.545
  312    HA2  GLY  45           HA2      GLY  45  48.263   2.300  15.913
  313    HA3  GLY  45           HA1      GLY  45  46.712   2.758  15.218
  314    H    ASN  46           HN       ASN  46  45.831  -0.112  15.313
  315    HA   ASN  46           HA       ASN  46  44.776  -0.027  18.021
  316    HB2  ASN  46           HB2      ASN  46  44.288  -2.010  15.786
  317    HB3  ASN  46           HB1      ASN  46  43.381  -1.907  17.295
  318   HD21  ASN  46          HD21      ASN  46  43.963  -0.294  14.192
  319   HD22  ASN  46          HD22      ASN  46  42.651   0.778  14.309
  320    H    GLY  47           HN       GLY  47  47.425  -1.420  16.439
  321    HA2  GLY  47           HA2      GLY  47  47.600  -3.758  18.174
  322    HA3  GLY  47           HA1      GLY  47  48.731  -3.315  16.900
  323    H    LEU  48           HN       LEU  48  48.414  -0.496  18.336
  324    HA   LEU  48           HA       LEU  48  50.528  -1.017  20.343
  325    HB2  LEU  48           HB2      LEU  48  50.693   1.674  19.670
  326    HB3  LEU  48           HB1      LEU  48  51.770   0.396  19.111
  327    HG   LEU  48           HG       LEU  48  49.168   1.073  17.715
  328   HD11  LEU  48          HD11      LEU  48  50.623   2.267  16.063
  329   HD12  LEU  48          HD12      LEU  48  51.973   2.095  17.187
  330   HD13  LEU  48          HD13      LEU  48  50.566   3.058  17.638
  331   HD21  LEU  48          HD21      LEU  48  50.980  -1.071  17.484
  332   HD22  LEU  48          HD22      LEU  48  51.346  -0.009  16.124
  333   HD23  LEU  48          HD23      LEU  48  49.712  -0.636  16.339
  334    H    VAL  49           HN       VAL  49  47.353  -0.092  19.922
  335    HA   VAL  49           HA       VAL  49  47.347   1.665  22.291
  336    HB   VAL  49           HB       VAL  49  45.339   1.186  20.090
  337   HG11  VAL  49          HG11      VAL  49  43.942   1.325  21.983
  338   HG12  VAL  49          HG12      VAL  49  44.042   2.997  21.431
  339   HG13  VAL  49          HG13      VAL  49  45.013   2.461  22.802
  340   HG21  VAL  49          HG21      VAL  49  47.274   2.802  19.794
  341   HG22  VAL  49          HG22      VAL  49  46.601   3.739  21.128
  342   HG23  VAL  49          HG23      VAL  49  45.675   3.531  19.641
  343    H    LEU  50           HN       LEU  50  45.741  -1.200  20.922
  344    HA   LEU  50           HA       LEU  50  44.530  -1.790  23.522
  345    HB2  LEU  50           HB2      LEU  50  43.138  -2.024  21.510
  346    HB3  LEU  50           HB1      LEU  50  44.273  -3.206  20.857
  347    HG   LEU  50           HG       LEU  50  43.475  -3.894  23.568
  348   HD11  LEU  50          HD11      LEU  50  41.378  -2.798  23.048
  349   HD12  LEU  50          HD12      LEU  50  41.127  -4.539  22.919
  350   HD13  LEU  50          HD13      LEU  50  41.320  -3.565  21.461
  351   HD21  LEU  50          HD21      LEU  50  42.978  -6.047  22.456
  352   HD22  LEU  50          HD22      LEU  50  44.549  -5.421  21.951
  353   HD23  LEU  50          HD23      LEU  50  43.154  -5.273  20.882
  354    H    TRP  51           HN       TRP  51  46.239  -3.759  21.078
  355    HA   TRP  51           HA       TRP  51  46.924  -5.915  22.611
  356    HB2  TRP  51           HB2      TRP  51  47.599  -6.185  20.429
  357    HB3  TRP  51           HB1      TRP  51  48.239  -4.545  20.311
  358    HD1  TRP  51           HD1      TRP  51  50.652  -4.081  21.386
  359    HE1  TRP  51           HE1      TRP  51  52.625  -5.669  21.873
  360    HE3  TRP  51           HE3      TRP  51  48.252  -8.582  21.119
  361    HZ2  TRP  51           HZ2      TRP  51  53.119  -8.475  22.117
  362    HZ3  TRP  51           HZ3      TRP  51  49.497 -10.694  21.482
  363    HH2  TRP  51           HH2      TRP  51  51.926 -10.646  21.980
  364    H    THR  52           HN       THR  52  48.497  -2.757  22.547
  365    HA   THR  52           HA       THR  52  50.793  -3.336  24.026
  366    HB   THR  52           HB       THR  52  50.109  -1.138  22.870
  367    HG1  THR  52           HG1      THR  52  51.226  -1.119  25.477
  368   HG21  THR  52          HG21      THR  52  49.048  -0.437  25.599
  369   HG22  THR  52          HG22      THR  52  47.974  -1.072  24.352
  370   HG23  THR  52          HG23      THR  52  48.850   0.435  24.079
  371    H    VAL  53           HN       VAL  53  47.479  -2.805  25.065
  372    HA   VAL  53           HA       VAL  53  47.881  -2.405  27.804
  373    HB   VAL  53           HB       VAL  53  45.613  -3.890  26.453
  374   HG11  VAL  53          HG11      VAL  53  44.379  -2.956  28.500
  375   HG12  VAL  53          HG12      VAL  53  45.975  -2.654  29.189
  376   HG13  VAL  53          HG13      VAL  53  45.481  -4.301  28.795
  377   HG21  VAL  53          HG21      VAL  53  44.501  -1.704  26.431
  378   HG22  VAL  53          HG22      VAL  53  46.027  -1.602  25.553
  379   HG23  VAL  53          HG23      VAL  53  45.907  -0.959  27.192
  380    H    PHE  54           HN       PHE  54  47.752  -5.383  25.907
  381    HA   PHE  54           HA       PHE  54  47.992  -7.061  28.266
  382    HB2  PHE  54           HB2      PHE  54  47.382  -7.433  25.440
  383    HB3  PHE  54           HB1      PHE  54  48.511  -8.645  26.045
  384    HD1  PHE  54           HD2      PHE  54  45.259  -6.978  26.842
  385    HD2  PHE  54           HD1      PHE  54  47.744 -10.445  27.355
  386    HE1  PHE  54           HE2      PHE  54  43.395  -8.144  27.989
  387    HE2  PHE  54           HE1      PHE  54  45.879 -11.610  28.503
  388    HZ   PHE  54           HZ       PHE  54  43.705 -10.460  28.820
  389    H    ARG  55           HN       ARG  55  50.107  -5.065  26.974
  390    HA   ARG  55           HA       ARG  55  52.379  -6.940  26.920
  391    HB2  ARG  55           HB2      ARG  55  51.892  -5.104  25.108
  392    HB3  ARG  55           HB1      ARG  55  52.611  -4.017  26.293
  393    HG2  ARG  55           HG2      ARG  55  54.483  -4.684  25.069
  394    HG3  ARG  55           HG1      ARG  55  54.504  -5.823  26.415
  395    HD2  ARG  55           HD2      ARG  55  52.879  -7.130  24.640
  396    HD3  ARG  55           HD1      ARG  55  53.986  -6.303  23.548
  397    HE   ARG  55           HE       ARG  55  54.644  -8.428  25.420
  398   HH11  ARG  55          HH21      ARG  55  55.734  -5.846  23.391
  399   HH12  ARG  55          HH22      ARG  55  57.342  -6.467  23.228
  400   HH21  ARG  55          HH11      ARG  55  56.752  -9.252  25.207
  401   HH22  ARG  55          HH12      ARG  55  57.918  -8.395  24.256
  402    H    LYS  56           HN       LYS  56  51.935  -3.581  28.043
  403    HA   LYS  56           HA       LYS  56  53.969  -3.589  29.939
  404    HB2  LYS  56           HB2      LYS  56  51.362  -2.052  29.913
  405    HB3  LYS  56           HB1      LYS  56  52.703  -1.710  31.007
  406    HG2  LYS  56           HG2      LYS  56  54.184  -1.263  29.121
  407    HG3  LYS  56           HG1      LYS  56  52.914  -1.714  27.982
  408    HD2  LYS  56           HD2      LYS  56  51.836   0.243  29.760
  409    HD3  LYS  56           HD1      LYS  56  53.387   0.842  29.171
  410    HE2  LYS  56           HE2      LYS  56  52.678   0.388  26.846
  411    HE3  LYS  56           HE1      LYS  56  51.120  -0.189  27.440
  412    HZ1  LYS  56           HZ1      LYS  56  50.459   1.912  27.281
  413    HZ2  LYS  56           HZ2      LYS  56  52.042   2.490  27.064
  414    HZ3  LYS  56           HZ3      LYS  56  51.432   2.243  28.630
  415    H    LYS  57           HN       LYS  57  50.712  -4.845  30.131
  416    HA   LYS  57           HA       LYS  57  50.908  -5.303  33.008
  417    HB2  LYS  57           HB2      LYS  57  48.718  -6.206  31.133
  418    HB3  LYS  57           HB1      LYS  57  48.632  -6.027  32.886
  419    HG2  LYS  57           HG2      LYS  57  48.979  -3.597  32.661
  420    HG3  LYS  57           HG1      LYS  57  49.074  -3.770  30.908
  421    HD2  LYS  57           HD2      LYS  57  46.787  -4.534  30.788
  422    HD3  LYS  57           HD1      LYS  57  46.674  -4.624  32.547
  423    HE2  LYS  57           HE2      LYS  57  47.257  -2.051  31.062
  424    HE3  LYS  57           HE1      LYS  57  45.628  -2.554  31.513
  425    HZ1  LYS  57           HZ1      LYS  57  47.413  -1.193  33.086
  426    HZ2  LYS  57           HZ2      LYS  57  47.435  -2.777  33.700
  427    HZ3  LYS  57           HZ3      LYS  57  45.970  -1.924  33.596
  428    H    GLY  58           HN       GLY  58  51.847  -6.856  30.179
  429    HA2  GLY  58           HA2      GLY  58  52.492  -9.285  31.628
  430    HA3  GLY  58           HA1      GLY  58  51.331  -9.500  30.321
  431    H    HIS  59           HN       HIS  59  54.639  -8.966  31.148
  432    HA   HIS  59           HA       HIS  59  55.568  -9.829  28.607
  433    HB2  HIS  59           HB2      HIS  59  56.542  -7.824  27.742
  434    HB3  HIS  59           HB1      HIS  59  54.856  -7.450  28.100
  435    HD2  HIS  59           HD2      HIS  59  54.703  -6.350  30.977
  436    HE1  HIS  59           HE1      HIS  59  58.386  -4.363  30.417
  437    HE2  HIS  59           HE2      HIS  59  56.313  -4.500  31.876
  438    H    HIS  60           HN       HIS  60  56.435  -7.798  31.403
  439    HA   HIS  60           HA       HIS  60  59.056  -9.136  31.512
  440    HB2  HIS  60           HB2      HIS  60  58.001  -6.509  32.436
  441    HB3  HIS  60           HB1      HIS  60  59.278  -7.256  33.396
  442    HD2  HIS  60           HD2      HIS  60  59.449  -7.860  29.549
  443    HE1  HIS  60           HE1      HIS  60  62.405  -5.005  30.516
  444    HE2  HIS  60           HE2      HIS  60  61.504  -6.505  28.676
  445    H    HIS  61           HN       HIS  61  55.984  -9.157  32.954
  446    HA   HIS  61           HA       HIS  61  57.018 -10.419  35.414
  447    HB2  HIS  61           HB2      HIS  61  55.361  -8.367  35.379
  448    HB3  HIS  61           HB1      HIS  61  54.158  -9.620  35.076
  449    HD2  HIS  61           HD2      HIS  61  56.975  -8.988  37.833
  450    HE1  HIS  61           HE1      HIS  61  53.804 -11.183  39.551
  451    HE2  HIS  61           HE2      HIS  61  56.035 -10.064  40.019
  452    H    HIS  62           HN       HIS  62  54.337 -11.491  35.905
  453    HA   HIS  62           HA       HIS  62  53.409 -13.606  35.761
  454    HB2  HIS  62           HB2      HIS  62  52.419 -12.222  33.834
  455    HB3  HIS  62           HB1      HIS  62  53.498 -13.141  32.785
  456    HD2  HIS  62           HD2      HIS  62  50.480 -13.897  35.253
  457    HE1  HIS  62           HE1      HIS  62  50.954 -17.166  32.622
  458    HE2  HIS  62           HE2      HIS  62  49.512 -16.194  34.474
  459    H    HIS  63           HN       HIS  63  54.999 -15.014  36.430
  460    HA   HIS  63           HA       HIS  63  56.767 -16.139  34.350
  461    HB2  HIS  63           HB2      HIS  63  58.283 -16.748  36.089
  462    HB3  HIS  63           HB1      HIS  63  57.817 -15.075  36.396
  463    HD2  HIS  63           HD2      HIS  63  58.359 -17.904  38.601
  464    HE1  HIS  63           HE1      HIS  63  54.746 -16.312  40.096
  465    HE2  HIS  63           HE2      HIS  63  56.681 -17.875  40.602
  466    H    HIS  64           HN       HIS  64  57.354 -18.319  36.252
  467    HA   HIS  64           HA       HIS  64  55.432 -20.206  35.279
  468    HB2  HIS  64           HB2      HIS  64  57.131 -21.601  35.699
  469    HB3  HIS  64           HB1      HIS  64  58.017 -20.291  36.479
  470    HD2  HIS  64           HD2      HIS  64  57.223 -20.001  39.354
  471    HE1  HIS  64           HE1      HIS  64  56.162 -24.078  39.639
  472    HE2  HIS  64           HE2      HIS  64  56.666 -21.975  40.970
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  66.276  -7.524 -47.559
    2    H2   MET   1           HT2      MET   1  67.364  -7.503 -46.254
    3    H3   MET   1           HT3      MET   1  66.470  -6.111 -46.642
    4    HA   MET   1           HA       MET   1  64.809  -8.398 -46.153
    5    HB2  MET   1           HB2      MET   1  66.492  -7.273 -43.893
    6    HB3  MET   1           HB1      MET   1  65.190  -8.452 -43.729
    7    HG2  MET   1           HG2      MET   1  66.765  -9.624 -45.650
    8    HG3  MET   1           HG1      MET   1  67.968  -8.839 -44.627
    9    HE1  MET   1           HE1      MET   1  66.058 -12.745 -44.007
   10    HE2  MET   1           HE2      MET   1  67.091 -12.047 -45.252
   11    HE3  MET   1           HE3      MET   1  65.408 -11.542 -45.130
   12    H    GLU   2           HN       GLU   2  63.041  -7.209 -46.639
   13    HA   GLU   2           HA       GLU   2  62.784  -4.456 -45.741
   14    HB2  GLU   2           HB2      GLU   2  60.737  -4.426 -47.016
   15    HB3  GLU   2           HB1      GLU   2  61.969  -5.237 -47.984
   16    HG2  GLU   2           HG2      GLU   2  61.030  -7.403 -46.797
   17    HG3  GLU   2           HG1      GLU   2  59.594  -6.405 -46.574
   18    H    GLU   3           HN       GLU   3  62.717  -7.038 -43.983
   19    HA   GLU   3           HA       GLU   3  61.502  -7.864 -42.195
   20    HB2  GLU   3           HB2      GLU   3  61.205  -4.868 -41.906
   21    HB3  GLU   3           HB1      GLU   3  60.753  -6.020 -40.650
   22    HG2  GLU   3           HG2      GLU   3  63.042  -6.882 -40.571
   23    HG3  GLU   3           HG1      GLU   3  63.512  -5.804 -41.885
   24    H    GLY   4           HN       GLY   4  59.944  -8.598 -44.023
   25    HA2  GLY   4           HA2      GLY   4  57.251  -7.673 -43.259
   26    HA3  GLY   4           HA1      GLY   4  57.676  -7.776 -44.966
   27    H    GLY   5           HN       GLY   5  56.941  -9.570 -42.070
   28    HA2  GLY   5           HA2      GLY   5  56.005 -11.686 -41.877
   29    HA3  GLY   5           HA1      GLY   5  56.132 -11.866 -43.623
   30    H    ASP   6           HN       ASP   6  57.645 -12.444 -40.566
   31    HA   ASP   6           HA       ASP   6  60.044 -13.565 -41.842
   32    HB2  ASP   6           HB2      ASP   6  59.528 -13.448 -38.879
   33    HB3  ASP   6           HB1      ASP   6  61.072 -13.495 -39.729
   34    H    PHE   7           HN       PHE   7  57.204 -14.472 -39.976
   35    HA   PHE   7           HA       PHE   7  56.302 -16.515 -39.437
   36    HB2  PHE   7           HB2      PHE   7  57.853 -17.324 -41.909
   37    HB3  PHE   7           HB1      PHE   7  56.610 -18.303 -41.130
   38    HD1  PHE   7           HD2      PHE   7  57.277 -15.261 -43.096
   39    HD2  PHE   7           HD1      PHE   7  54.254 -17.664 -41.215
   40    HE1  PHE   7           HE2      PHE   7  55.522 -14.025 -44.337
   41    HE2  PHE   7           HE1      PHE   7  52.499 -16.426 -42.456
   42    HZ   PHE   7           HZ       PHE   7  53.133 -14.607 -44.016
   43    H    ASP   8           HN       ASP   8  58.539 -15.863 -37.947
   44    HA   ASP   8           HA       ASP   8  59.586 -18.537 -37.354
   45    HB2  ASP   8           HB2      ASP   8  61.177 -17.085 -38.852
   46    HB3  ASP   8           HB1      ASP   8  61.506 -16.236 -37.342
   47    H    ASN   9           HN       ASN   9  57.626 -17.354 -35.917
   48    HA   ASN   9           HA       ASN   9  59.011 -16.722 -33.401
   49    HB2  ASN   9           HB2      ASN   9  56.610 -15.162 -34.375
   50    HB3  ASN   9           HB1      ASN   9  57.554 -14.870 -32.914
   51   HD21  ASN   9          HD21      ASN   9  57.154 -13.739 -36.024
   52   HD22  ASN   9          HD22      ASN   9  58.698 -13.077 -36.274
   53    H    TYR  10           HN       TYR  10  58.060 -19.193 -33.944
   54    HA   TYR  10           HA       TYR  10  56.514 -20.812 -33.362
   55    HB2  TYR  10           HB2      TYR  10  57.598 -19.812 -31.170
   56    HB3  TYR  10           HB1      TYR  10  55.956 -19.232 -30.884
   57    HD1  TYR  10           HD2      TYR  10  57.988 -22.278 -31.551
   58    HD2  TYR  10           HD1      TYR  10  54.214 -20.716 -30.224
   59    HE1  TYR  10           HE2      TYR  10  57.317 -24.543 -30.798
   60    HE2  TYR  10           HE1      TYR  10  53.541 -22.981 -29.471
   61    HH   TYR  10           HH       TYR  10  54.067 -25.260 -29.807
   62    H    TYR  11           HN       TYR  11  55.443 -18.522 -34.874
   63    HA   TYR  11           HA       TYR  11  53.428 -17.580 -35.475
   64    HB2  TYR  11           HB2      TYR  11  51.961 -19.872 -34.266
   65    HB3  TYR  11           HB1      TYR  11  51.798 -19.147 -35.865
   66    HD1  TYR  11           HD1      TYR  11  53.397 -19.694 -37.670
   67    HD2  TYR  11           HD2      TYR  11  53.587 -21.611 -33.831
   68    HE1  TYR  11           HE1      TYR  11  54.871 -21.449 -38.619
   69    HE2  TYR  11           HE2      TYR  11  55.060 -23.366 -34.780
   70    HH   TYR  11           HH       TYR  11  56.232 -23.171 -38.121
   71    H    GLY  12           HN       GLY  12  54.369 -16.631 -33.025
   72    HA2  GLY  12           HA2      GLY  12  52.255 -15.250 -31.963
   73    HA3  GLY  12           HA1      GLY  12  52.319 -16.731 -31.012
   74    H    ALA  13           HN       ALA  13  54.694 -17.292 -30.330
   75    HA   ALA  13           HA       ALA  13  56.744 -15.531 -29.997
   76    HB1  ALA  13           HB1      ALA  13  55.701 -13.799 -28.930
   77    HB2  ALA  13           HB2      ALA  13  56.028 -14.797 -27.513
   78    HB3  ALA  13           HB3      ALA  13  54.434 -14.831 -28.267
   79    H    ASP  14           HN       ASP  14  54.613 -17.693 -28.182
   80    HA   ASP  14           HA       ASP  14  55.112 -19.676 -27.103
   81    HB2  ASP  14           HB2      ASP  14  57.135 -19.549 -28.865
   82    HB3  ASP  14           HB1      ASP  14  58.052 -19.345 -27.372
   83    H    ASN  15           HN       ASN  15  56.446 -16.632 -26.388
   84    HA   ASN  15           HA       ASN  15  57.396 -17.425 -23.736
   85    HB2  ASN  15           HB2      ASN  15  57.541 -14.917 -25.376
   86    HB3  ASN  15           HB1      ASN  15  57.799 -14.845 -23.635
   87   HD21  ASN  15          HD21      ASN  15  59.729 -15.848 -22.768
   88   HD22  ASN  15          HD22      ASN  15  60.976 -16.408 -23.774
   89    H    GLN  16           HN       GLN  16  55.173 -18.105 -23.133
   90    HA   GLN  16           HA       GLN  16  53.367 -15.856 -22.546
   91    HB2  GLN  16           HB2      GLN  16  52.876 -18.839 -22.361
   92    HB3  GLN  16           HB1      GLN  16  51.670 -17.570 -22.136
   93    HG2  GLN  16           HG2      GLN  16  51.359 -17.382 -24.357
   94    HG3  GLN  16           HG1      GLN  16  53.090 -17.183 -24.629
   95   HE21  GLN  16          HE21      GLN  16  54.156 -19.625 -23.892
   96   HE22  GLN  16          HE22      GLN  16  53.492 -20.871 -24.834
   97    H    SER  17           HN       SER  17  55.015 -18.591 -20.999
   98    HA   SER  17           HA       SER  17  55.168 -17.122 -18.506
   99    HB2  SER  17           HB2      SER  17  52.911 -18.218 -18.437
  100    HB3  SER  17           HB1      SER  17  53.720 -19.778 -18.550
  101    HG   SER  17           HG       SER  17  54.670 -19.420 -16.598
  102    H    GLU  18           HN       GLU  18  57.282 -17.738 -19.973
  103    HA   GLU  18           HA       GLU  18  58.385 -20.270 -18.945
  104    HB2  GLU  18           HB2      GLU  18  58.530 -19.878 -21.384
  105    HB3  GLU  18           HB1      GLU  18  59.467 -18.415 -21.079
  106    HG2  GLU  18           HG2      GLU  18  61.246 -19.686 -20.052
  107    HG3  GLU  18           HG1      GLU  18  60.285 -21.162 -20.103
  108    H    CYS  19           HN       CYS  19  58.573 -16.841 -18.623
  109    HA   CYS  19           HA       CYS  19  60.344 -17.050 -16.374
  110    HB2  CYS  19           HB2      CYS  19  61.846 -17.126 -18.483
  111    HB3  CYS  19           HB1      CYS  19  61.435 -15.419 -18.654
  112    HG   CYS  19           HG       CYS  19  62.768 -16.521 -16.043
  113    H    GLU  20           HN       GLU  20  58.050 -16.115 -15.969
  114    HA   GLU  20           HA       GLU  20  57.562 -13.396 -16.708
  115    HB2  GLU  20           HB2      GLU  20  56.386 -15.019 -14.438
  116    HB3  GLU  20           HB1      GLU  20  55.741 -13.506 -15.073
  117    HG2  GLU  20           HG2      GLU  20  55.849 -14.851 -17.374
  118    HG3  GLU  20           HG1      GLU  20  55.720 -16.234 -16.288
  119    H    TYR  21           HN       TYR  21  60.173 -13.637 -15.702
  120    HA   TYR  21           HA       TYR  21  61.606 -12.448 -14.353
  121    HB2  TYR  21           HB2      TYR  21  59.360 -11.113 -12.908
  122    HB3  TYR  21           HB1      TYR  21  60.897 -10.445 -13.459
  123    HD1  TYR  21           HD1      TYR  21  60.922 -11.344 -16.296
  124    HD2  TYR  21           HD2      TYR  21  57.742  -9.715 -13.911
  125    HE1  TYR  21           HE1      TYR  21  59.816 -10.499 -18.348
  126    HE2  TYR  21           HE2      TYR  21  56.636  -8.870 -15.963
  127    HH   TYR  21           HH       TYR  21  58.000  -8.366 -18.710
  128    H    THR  22           HN       THR  22  58.678 -13.023 -12.384
  129    HA   THR  22           HA       THR  22  60.125 -14.923 -10.724
  130    HB   THR  22           HB       THR  22  58.838 -12.821  -9.105
  131    HG1  THR  22           HG1      THR  22  61.386 -12.272 -10.142
  132   HG21  THR  22          HG21      THR  22  61.541 -14.189  -9.002
  133   HG22  THR  22          HG22      THR  22  60.087 -14.744  -8.173
  134   HG23  THR  22          HG23      THR  22  60.828 -13.209  -7.721
  135    H    ASP  23           HN       ASP  23  57.851 -15.070 -12.478
  136    HA   ASP  23           HA       ASP  23  55.782 -15.857 -10.514
  137    HB2  ASP  23           HB2      ASP  23  55.567 -13.875 -12.559
  138    HB3  ASP  23           HB1      ASP  23  54.542 -15.241 -13.000
  139    H    TRP  24           HN       TRP  24  57.891 -16.811 -12.907
  140    HA   TRP  24           HA       TRP  24  56.358 -18.717 -14.341
  141    HB2  TRP  24           HB2      TRP  24  58.497 -19.647 -15.028
  142    HB3  TRP  24           HB1      TRP  24  58.588 -17.887 -15.065
  143    HD1  TRP  24           HD1      TRP  24  59.700 -16.728 -12.802
  144    HE1  TRP  24           HE1      TRP  24  61.686 -17.564 -11.384
  145    HE3  TRP  24           HE3      TRP  24  59.784 -21.637 -14.207
  146    HZ2  TRP  24           HZ2      TRP  24  63.120 -19.993 -10.909
  147    HZ3  TRP  24           HZ3      TRP  24  61.468 -23.188 -13.258
  148    HH2  TRP  24           HH2      TRP  24  63.134 -22.373 -11.612
  149    H    LYS  25           HN       LYS  25  57.255 -18.603 -11.113
  150    HA   LYS  25           HA       LYS  25  56.750 -21.498 -10.817
  151    HB2  LYS  25           HB2      LYS  25  58.301 -21.177  -8.706
  152    HB3  LYS  25           HB1      LYS  25  59.001 -21.502 -10.291
  153    HG2  LYS  25           HG2      LYS  25  60.165 -19.637  -9.166
  154    HG3  LYS  25           HG1      LYS  25  59.365 -19.086 -10.634
  155    HD2  LYS  25           HD2      LYS  25  57.668 -17.985  -9.450
  156    HD3  LYS  25           HD1      LYS  25  57.931 -18.946  -7.994
  157    HE2  LYS  25           HE2      LYS  25  59.858 -16.885  -9.107
  158    HE3  LYS  25           HE1      LYS  25  58.798 -16.649  -7.717
  159    HZ1  LYS  25           HZ1      LYS  25  61.332 -17.741  -7.714
  160    HZ2  LYS  25           HZ2      LYS  25  60.279 -19.046  -7.441
  161    HZ3  LYS  25           HZ3      LYS  25  60.239 -17.689  -6.419
  162    H    SER  26           HN       SER  26  55.740 -18.418 -10.174
  163    HA   SER  26           HA       SER  26  54.439 -17.429  -8.533
  164    HB2  SER  26           HB2      SER  26  52.409 -18.778  -8.049
  165    HB3  SER  26           HB1      SER  26  52.807 -18.742  -9.764
  166    HG   SER  26           HG       SER  26  53.573 -20.785  -7.943
  167    H    SER  27           HN       SER  27  56.359 -17.527  -7.046
  168    HA   SER  27           HA       SER  27  55.526 -18.678  -4.527
  169    HB2  SER  27           HB2      SER  27  57.405 -20.087  -4.151
  170    HB3  SER  27           HB1      SER  27  56.799 -20.517  -5.749
  171    HG   SER  27           HG       SER  27  59.209 -19.621  -5.066
  172    H    GLY  28           HN       GLY  28  56.190 -16.057  -5.834
  173    HA2  GLY  28           HA2      GLY  28  57.492 -14.846  -3.612
  174    HA3  GLY  28           HA1      GLY  28  58.595 -14.964  -4.979
  175    H    ALA  29           HN       ALA  29  55.102 -14.479  -5.158
  176    HA   ALA  29           HA       ALA  29  55.396 -11.646  -5.750
  177    HB1  ALA  29           HB1      ALA  29  54.087 -12.068  -7.959
  178    HB2  ALA  29           HB2      ALA  29  54.739 -13.702  -7.840
  179    HB3  ALA  29           HB3      ALA  29  55.832 -12.322  -7.946
  180    H    LEU  30           HN       LEU  30  53.829 -14.003  -4.238
  181    HA   LEU  30           HA       LEU  30  51.297 -12.501  -4.214
  182    HB2  LEU  30           HB2      LEU  30  50.146 -14.794  -4.008
  183    HB3  LEU  30           HB1      LEU  30  50.691 -14.303  -5.612
  184    HG   LEU  30           HG       LEU  30  52.748 -15.705  -4.045
  185   HD11  LEU  30          HD11      LEU  30  50.234 -17.163  -4.918
  186   HD12  LEU  30          HD12      LEU  30  50.767 -16.933  -3.252
  187   HD13  LEU  30          HD13      LEU  30  51.716 -17.935  -4.351
  188   HD21  LEU  30          HD21      LEU  30  53.067 -16.843  -6.187
  189   HD22  LEU  30          HD22      LEU  30  52.886 -15.112  -6.468
  190   HD23  LEU  30          HD23      LEU  30  51.537 -16.202  -6.784
  191    H    ILE  31           HN       ILE  31  53.629 -14.548  -2.636
  192    HA   ILE  31           HA       ILE  31  52.194 -14.891  -0.197
  193    HB   ILE  31           HB       ILE  31  54.803 -15.615  -1.270
  194   HG12  ILE  31          HG12      ILE  31  54.426 -17.558   0.188
  195   HG13  ILE  31          HG11      ILE  31  53.091 -16.716   0.976
  196   HG21  ILE  31          HG21      ILE  31  55.732 -14.135   0.435
  197   HG22  ILE  31          HG22      ILE  31  55.914 -15.804   0.963
  198   HG23  ILE  31          HG23      ILE  31  54.642 -14.804   1.655
  199   HD11  ILE  31          HD11      ILE  31  52.837 -18.368  -1.217
  200   HD12  ILE  31          HD12      ILE  31  52.877 -16.767  -1.955
  201   HD13  ILE  31          HD13      ILE  31  51.663 -17.145  -0.733
  202    HA   PRO  32           HA       PRO  32  54.597 -11.094   1.297
  203    HB2  PRO  32           HB2      PRO  32  56.026  -9.600  -0.458
  204    HB3  PRO  32           HB1      PRO  32  56.677 -11.067   0.298
  205    HG2  PRO  32           HG2      PRO  32  55.761 -10.623  -2.463
  206    HG3  PRO  32           HG1      PRO  32  56.928 -11.792  -1.830
  207    HD2  PRO  32           HD2      PRO  32  54.196 -12.277  -2.514
  208    HD3  PRO  32           HD1      PRO  32  55.334 -13.413  -1.764
  209    H    ALA  33           HN       ALA  33  52.132 -11.270  -0.560
  210    HA   ALA  33           HA       ALA  33  51.593  -8.362  -0.643
  211    HB1  ALA  33           HB1      ALA  33  51.944  -9.375  -2.928
  212    HB2  ALA  33           HB2      ALA  33  50.369  -8.618  -2.691
  213    HB3  ALA  33           HB3      ALA  33  50.521 -10.373  -2.629
  214    H    ILE  34           HN       ILE  34  50.760 -11.360   0.590
  215    HA   ILE  34           HA       ILE  34  47.943 -10.597   1.018
  216    HB   ILE  34           HB       ILE  34  49.340 -13.254   1.411
  217   HG12  ILE  34          HG12      ILE  34  47.160 -12.652  -0.574
  218   HG13  ILE  34          HG11      ILE  34  48.835 -12.263  -0.967
  219   HG21  ILE  34          HG21      ILE  34  46.485 -12.340   1.816
  220   HG22  ILE  34          HG22      ILE  34  47.545 -13.126   2.986
  221   HG23  ILE  34          HG23      ILE  34  46.916 -14.037   1.612
  222   HD11  ILE  34          HD11      ILE  34  47.808 -14.991  -0.128
  223   HD12  ILE  34          HD12      ILE  34  49.485 -14.601  -0.511
  224   HD13  ILE  34          HD13      ILE  34  48.251 -14.520  -1.769
  225    H    TYR  35           HN       TYR  35  50.835 -11.753   2.733
  226    HA   TYR  35           HA       TYR  35  49.687 -11.513   5.337
  227    HB2  TYR  35           HB2      TYR  35  52.279 -12.222   4.180
  228    HB3  TYR  35           HB1      TYR  35  52.421 -11.326   5.693
  229    HD1  TYR  35           HD1      TYR  35  50.976 -12.111   7.686
  230    HD2  TYR  35           HD2      TYR  35  51.714 -14.509   4.199
  231    HE1  TYR  35           HE1      TYR  35  50.349 -14.148   8.954
  232    HE2  TYR  35           HE2      TYR  35  51.088 -16.545   5.467
  233    HH   TYR  35           HH       TYR  35  50.268 -16.376   8.927
  234    H    MET  36           HN       MET  36  50.058  -9.152   3.236
  235    HA   MET  36           HA       MET  36  51.312  -7.204   5.042
  236    HB2  MET  36           HB2      MET  36  50.415  -7.013   2.158
  237    HB3  MET  36           HB1      MET  36  51.086  -5.664   3.076
  238    HG2  MET  36           HG2      MET  36  52.547  -8.295   2.844
  239    HG3  MET  36           HG1      MET  36  52.731  -7.027   1.632
  240    HE1  MET  36           HE1      MET  36  55.926  -7.185   3.804
  241    HE2  MET  36           HE2      MET  36  54.899  -8.213   2.809
  242    HE3  MET  36           HE3      MET  36  54.803  -8.320   4.565
  243    H    LEU  37           HN       LEU  37  48.412  -7.274   2.953
  244    HA   LEU  37           HA       LEU  37  47.077  -5.178   4.281
  245    HB2  LEU  37           HB2      LEU  37  45.757  -7.461   2.803
  246    HB3  LEU  37           HB1      LEU  37  45.141  -5.822   3.026
  247    HG   LEU  37           HG       LEU  37  47.632  -6.578   1.469
  248   HD11  LEU  37          HD11      LEU  37  44.898  -5.595   0.598
  249   HD12  LEU  37          HD12      LEU  37  45.593  -7.183   0.274
  250   HD13  LEU  37          HD13      LEU  37  46.294  -5.745  -0.469
  251   HD21  LEU  37          HD21      LEU  37  47.277  -4.072   0.766
  252   HD22  LEU  37          HD22      LEU  37  48.085  -4.432   2.292
  253   HD23  LEU  37          HD23      LEU  37  46.385  -3.965   2.284
  254    H    VAL  38           HN       VAL  38  47.778  -8.279   5.349
  255    HA   VAL  38           HA       VAL  38  45.417  -8.446   7.091
  256    HB   VAL  38           HB       VAL  38  47.665 -10.413   6.595
  257   HG11  VAL  38          HG11      VAL  38  45.363 -10.338   8.499
  258   HG12  VAL  38          HG12      VAL  38  46.967 -11.039   8.706
  259   HG13  VAL  38          HG13      VAL  38  45.755 -11.883   7.744
  260   HG21  VAL  38          HG21      VAL  38  46.089 -10.065   4.693
  261   HG22  VAL  38          HG22      VAL  38  44.745 -10.452   5.767
  262   HG23  VAL  38          HG23      VAL  38  45.951 -11.681   5.387
  263    H    PHE  39           HN       PHE  39  48.966  -8.345   7.245
  264    HA   PHE  39           HA       PHE  39  48.997  -8.211  10.129
  265    HB2  PHE  39           HB2      PHE  39  50.827  -9.124   8.494
  266    HB3  PHE  39           HB1      PHE  39  51.325  -7.435   8.406
  267    HD1  PHE  39           HD2      PHE  39  50.697 -10.258  10.750
  268    HD2  PHE  39           HD1      PHE  39  52.482  -6.389  10.206
  269    HE1  PHE  39           HE2      PHE  39  51.847 -10.482  12.936
  270    HE2  PHE  39           HE1      PHE  39  53.632  -6.613  12.392
  271    HZ   PHE  39           HZ       PHE  39  53.315  -8.658  13.757
  272    H    LEU  40           HN       LEU  40  47.451  -6.162   8.695
  273    HA   LEU  40           HA       LEU  40  48.752  -3.807   9.888
  274    HB2  LEU  40           HB2      LEU  40  47.936  -4.174   7.043
  275    HB3  LEU  40           HB1      LEU  40  47.660  -2.597   7.785
  276    HG   LEU  40           HG       LEU  40  50.324  -3.929   8.147
  277   HD11  LEU  40          HD11      LEU  40  50.916  -2.441   6.038
  278   HD12  LEU  40          HD12      LEU  40  49.224  -2.726   5.630
  279   HD13  LEU  40          HD13      LEU  40  50.325  -4.090   5.828
  280   HD21  LEU  40          HD21      LEU  40  51.030  -1.791   8.679
  281   HD22  LEU  40          HD22      LEU  40  49.335  -1.656   9.146
  282   HD23  LEU  40          HD23      LEU  40  49.874  -1.025   7.590
  283    H    LEU  41           HN       LEU  41  46.229  -5.788   9.982
  284    HA   LEU  41           HA       LEU  41  44.239  -3.653  10.470
  285    HB2  LEU  41           HB2      LEU  41  43.641  -6.580  10.041
  286    HB3  LEU  41           HB1      LEU  41  42.520  -5.219   9.972
  287    HG   LEU  41           HG       LEU  41  44.819  -5.723   8.058
  288   HD11  LEU  41          HD11      LEU  41  42.936  -7.248   7.696
  289   HD12  LEU  41          HD12      LEU  41  42.984  -6.043   6.409
  290   HD13  LEU  41          HD13      LEU  41  41.809  -5.892   7.715
  291   HD21  LEU  41          HD21      LEU  41  43.444  -3.822   6.839
  292   HD22  LEU  41          HD22      LEU  41  44.628  -3.399   8.076
  293   HD23  LEU  41          HD23      LEU  41  42.912  -3.442   8.477
  294    H    GLY  42           HN       GLY  42  45.617  -6.667  11.718
  295    HA2  GLY  42           HA2      GLY  42  44.094  -6.692  14.135
  296    HA3  GLY  42           HA1      GLY  42  45.551  -7.629  13.814
  297    H    THR  43           HN       THR  43  46.439  -4.592  13.092
  298    HA   THR  43           HA       THR  43  47.060  -3.799  15.860
  299    HB   THR  43           HB       THR  43  49.078  -4.861  15.325
  300    HG1  THR  43           HG1      THR  43  49.903  -2.523  14.161
  301   HG21  THR  43          HG21      THR  43  49.100  -5.552  13.151
  302   HG22  THR  43          HG22      THR  43  50.061  -4.091  12.915
  303   HG23  THR  43          HG23      THR  43  48.332  -4.075  12.568
  304    H    THR  44           HN       THR  44  48.723  -2.354  13.223
  305    HA   THR  44           HA       THR  44  48.813  -0.088  12.696
  306    HB   THR  44           HB       THR  44  47.537  -1.046  10.883
  307    HG1  THR  44           HG1      THR  44  46.199   0.809  10.429
  308   HG21  THR  44          HG21      THR  44  45.793  -2.214  12.053
  309   HG22  THR  44          HG22      THR  44  45.010  -1.009  11.031
  310   HG23  THR  44          HG23      THR  44  45.185  -0.716  12.760
  311    H    GLY  45           HN       GLY  45  48.431  -0.116  15.369
  312    HA2  GLY  45           HA2      GLY  45  47.967   1.814  16.735
  313    HA3  GLY  45           HA1      GLY  45  46.535   2.114  15.756
  314    H    ASN  46           HN       ASN  46  45.346  -0.362  15.690
  315    HA   ASN  46           HA       ASN  46  44.159  -0.488  18.304
  316    HB2  ASN  46           HB2      ASN  46  43.778  -2.188  15.830
  317    HB3  ASN  46           HB1      ASN  46  42.810  -2.336  17.296
  318   HD21  ASN  46          HD21      ASN  46  43.234  -0.506  14.371
  319   HD22  ASN  46          HD22      ASN  46  42.020   0.642  14.674
  320    H    GLY  47           HN       GLY  47  47.056  -1.252  17.901
  321    HA2  GLY  47           HA2      GLY  47  46.900  -3.827  19.335
  322    HA3  GLY  47           HA1      GLY  47  48.025  -3.637  17.994
  323    H    LEU  48           HN       LEU  48  48.672  -0.874  18.597
  324    HA   LEU  48           HA       LEU  48  50.520  -1.366  20.824
  325    HB2  LEU  48           HB2      LEU  48  50.751   1.169  19.348
  326    HB3  LEU  48           HB1      LEU  48  51.990  -0.016  19.756
  327    HG   LEU  48           HG       LEU  48  49.972  -0.235  17.500
  328   HD11  LEU  48          HD11      LEU  48  52.979  -0.190  17.280
  329   HD12  LEU  48          HD12      LEU  48  52.052   1.310  17.333
  330   HD13  LEU  48          HD13      LEU  48  51.777   0.149  16.035
  331   HD21  LEU  48          HD21      LEU  48  50.291  -2.466  17.736
  332   HD22  LEU  48          HD22      LEU  48  51.578  -2.229  18.917
  333   HD23  LEU  48          HD23      LEU  48  51.944  -2.182  17.193
  334    H    VAL  49           HN       VAL  49  47.532  -0.506  20.846
  335    HA   VAL  49           HA       VAL  49  47.912   1.623  22.852
  336    HB   VAL  49           HB       VAL  49  45.750   1.582  20.733
  337   HG11  VAL  49          HG11      VAL  49  45.979   2.870  23.323
  338   HG12  VAL  49          HG12      VAL  49  44.618   2.864  22.200
  339   HG13  VAL  49          HG13      VAL  49  45.893   4.071  22.033
  340   HG21  VAL  49          HG21      VAL  49  47.145   3.963  20.554
  341   HG22  VAL  49          HG22      VAL  49  47.370   2.575  19.491
  342   HG23  VAL  49          HG23      VAL  49  48.423   2.795  20.888
  343    H    LEU  50           HN       LEU  50  45.977  -1.025  21.583
  344    HA   LEU  50           HA       LEU  50  44.398  -1.086  24.063
  345    HB2  LEU  50           HB2      LEU  50  43.446  -1.249  21.602
  346    HB3  LEU  50           HB1      LEU  50  43.914  -2.936  21.751
  347    HG   LEU  50           HG       LEU  50  41.619  -2.750  22.453
  348   HD11  LEU  50          HD11      LEU  50  43.247  -4.167  23.813
  349   HD12  LEU  50          HD12      LEU  50  41.739  -3.735  24.615
  350   HD13  LEU  50          HD13      LEU  50  43.223  -2.870  25.010
  351   HD21  LEU  50          HD21      LEU  50  42.361  -0.193  23.340
  352   HD22  LEU  50          HD22      LEU  50  41.975  -1.080  24.812
  353   HD23  LEU  50          HD23      LEU  50  40.778  -0.948  23.524
  354    H    TRP  51           HN       TRP  51  45.540  -3.705  21.940
  355    HA   TRP  51           HA       TRP  51  45.786  -5.666  23.857
  356    HB2  TRP  51           HB2      TRP  51  46.067  -6.469  21.705
  357    HB3  TRP  51           HB1      TRP  51  47.164  -5.165  21.249
  358    HD1  TRP  51           HD1      TRP  51  49.691  -5.561  21.537
  359    HE1  TRP  51           HE1      TRP  51  51.125  -7.509  22.431
  360    HE3  TRP  51           HE3      TRP  51  46.036  -8.484  23.581
  361    HZ2  TRP  51           HZ2      TRP  51  50.769  -9.979  23.828
  362    HZ3  TRP  51           HZ3      TRP  51  46.610 -10.626  24.685
  363    HH2  TRP  51           HH2      TRP  51  48.971 -11.376  24.810
  364    H    THR  52           HN       THR  52  47.835  -2.924  23.317
  365    HA   THR  52           HA       THR  52  50.154  -3.923  24.662
  366    HB   THR  52           HB       THR  52  49.927  -1.901  23.036
  367    HG1  THR  52           HG1      THR  52  51.845  -2.495  24.095
  368   HG21  THR  52          HG21      THR  52  48.181  -0.875  24.664
  369   HG22  THR  52          HG22      THR  52  49.402   0.192  23.969
  370   HG23  THR  52          HG23      THR  52  49.582  -0.396  25.621
  371    H    VAL  53           HN       VAL  53  47.192  -2.371  25.669
  372    HA   VAL  53           HA       VAL  53  47.853  -1.344  28.149
  373    HB   VAL  53           HB       VAL  53  45.339  -2.849  27.387
  374   HG11  VAL  53          HG11      VAL  53  44.410  -1.242  29.198
  375   HG12  VAL  53          HG12      VAL  53  46.087  -1.088  29.720
  376   HG13  VAL  53          HG13      VAL  53  45.298  -2.665  29.742
  377   HG21  VAL  53          HG21      VAL  53  44.593  -0.923  26.397
  378   HG22  VAL  53          HG22      VAL  53  46.317  -0.610  26.199
  379   HG23  VAL  53          HG23      VAL  53  45.440   0.115  27.546
  380    H    PHE  54           HN       PHE  54  47.142  -4.704  27.271
  381    HA   PHE  54           HA       PHE  54  47.527  -5.621  30.002
  382    HB2  PHE  54           HB2      PHE  54  46.549  -6.760  27.470
  383    HB3  PHE  54           HB1      PHE  54  47.476  -7.882  28.467
  384    HD1  PHE  54           HD1      PHE  54  44.490  -5.707  28.338
  385    HD2  PHE  54           HD2      PHE  54  46.672  -8.609  30.633
  386    HE1  PHE  54           HE1      PHE  54  42.539  -5.982  29.845
  387    HE2  PHE  54           HE2      PHE  54  44.721  -8.885  32.139
  388    HZ   PHE  54           HZ       PHE  54  42.655  -7.571  31.745
  389    H    ARG  55           HN       ARG  55  49.596  -4.603  27.699
  390    HA   ARG  55           HA       ARG  55  51.618  -6.687  28.186
  391    HB2  ARG  55           HB2      ARG  55  51.116  -5.884  25.835
  392    HB3  ARG  55           HB1      ARG  55  51.821  -4.334  26.301
  393    HG2  ARG  55           HG2      ARG  55  53.809  -5.230  25.698
  394    HG3  ARG  55           HG1      ARG  55  53.700  -6.167  27.189
  395    HD2  ARG  55           HD2      ARG  55  52.651  -7.034  24.481
  396    HD3  ARG  55           HD1      ARG  55  54.113  -7.638  25.255
  397    HE   ARG  55           HE       ARG  55  51.723  -7.943  26.861
  398   HH11  ARG  55          HH21      ARG  55  53.759  -9.268  24.397
  399   HH12  ARG  55          HH22      ARG  55  53.268 -10.905  24.678
  400   HH21  ARG  55          HH11      ARG  55  51.073 -10.087  27.235
  401   HH22  ARG  55          HH12      ARG  55  51.746 -11.368  26.284
  402    H    LYS  56           HN       LYS  56  51.130  -3.173  28.398
  403    HA   LYS  56           HA       LYS  56  53.649  -2.529  29.486
  404    HB2  LYS  56           HB2      LYS  56  52.491  -0.466  30.314
  405    HB3  LYS  56           HB1      LYS  56  52.225  -0.790  28.601
  406    HG2  LYS  56           HG2      LYS  56  50.005  -0.845  28.952
  407    HG3  LYS  56           HG1      LYS  56  50.217  -2.183  30.084
  408    HD2  LYS  56           HD2      LYS  56  50.609  -0.627  31.918
  409    HD3  LYS  56           HD1      LYS  56  50.540   0.743  30.809
  410    HE2  LYS  56           HE2      LYS  56  48.208   0.287  30.306
  411    HE3  LYS  56           HE1      LYS  56  48.253  -1.193  31.264
  412    HZ1  LYS  56           HZ1      LYS  56  47.392   0.264  32.771
  413    HZ2  LYS  56           HZ2      LYS  56  48.239   1.600  32.152
  414    HZ3  LYS  56           HZ3      LYS  56  49.042   0.451  33.112
  415    H    LYS  57           HN       LYS  57  50.744  -3.832  30.915
  416    HA   LYS  57           HA       LYS  57  51.113  -3.216  33.604
  417    HB2  LYS  57           HB2      LYS  57  50.030  -5.775  32.397
  418    HB3  LYS  57           HB1      LYS  57  49.812  -5.264  34.072
  419    HG2  LYS  57           HG2      LYS  57  49.073  -3.264  32.010
  420    HG3  LYS  57           HG1      LYS  57  48.036  -4.688  32.104
  421    HD2  LYS  57           HD2      LYS  57  47.709  -4.314  34.511
  422    HD3  LYS  57           HD1      LYS  57  48.778  -2.913  34.449
  423    HE2  LYS  57           HE2      LYS  57  47.078  -1.601  33.784
  424    HE3  LYS  57           HE1      LYS  57  46.771  -2.656  32.405
  425    HZ1  LYS  57           HZ1      LYS  57  44.825  -2.889  33.530
  426    HZ2  LYS  57           HZ2      LYS  57  45.532  -2.649  35.056
  427    HZ3  LYS  57           HZ3      LYS  57  45.705  -4.142  34.263
  428    H    GLY  58           HN       GLY  58  52.609  -5.728  31.628
  429    HA2  GLY  58           HA2      GLY  58  55.024  -6.051  32.538
  430    HA3  GLY  58           HA1      GLY  58  54.162  -6.662  33.948
  431    H    HIS  59           HN       HIS  59  53.195  -7.092  30.580
  432    HA   HIS  59           HA       HIS  59  52.788  -8.991  29.352
  433    HB2  HIS  59           HB2      HIS  59  55.264  -9.914  30.832
  434    HB3  HIS  59           HB1      HIS  59  54.573 -10.707  29.416
  435    HD2  HIS  59           HD2      HIS  59  55.395  -6.836  29.961
  436    HE1  HIS  59           HE1      HIS  59  57.109  -8.139  26.329
  437    HE2  HIS  59           HE2      HIS  59  56.754  -6.133  27.844
  438    H    HIS  60           HN       HIS  60  50.911  -9.031  31.033
  439    HA   HIS  60           HA       HIS  60  49.592 -10.194  32.540
  440    HB2  HIS  60           HB2      HIS  60  49.060 -12.370  31.766
  441    HB3  HIS  60           HB1      HIS  60  49.560 -11.478  30.328
  442    HD2  HIS  60           HD2      HIS  60  51.943 -12.397  29.130
  443    HE1  HIS  60           HE1      HIS  60  52.701 -15.506  31.884
  444    HE2  HIS  60           HE2      HIS  60  53.418 -14.482  29.674
  445    H    HIS  61           HN       HIS  61  52.463  -9.799  33.322
  446    HA   HIS  61           HA       HIS  61  53.901 -10.448  34.993
  447    HB2  HIS  61           HB2      HIS  61  51.411 -11.800  36.063
  448    HB3  HIS  61           HB1      HIS  61  52.863 -11.417  36.988
  449    HD2  HIS  61           HD2      HIS  61  53.041  -8.304  35.437
  450    HE1  HIS  61           HE1      HIS  61  49.544  -7.695  37.722
  451    HE2  HIS  61           HE2      HIS  61  51.388  -6.536  36.417
  452    H    HIS  62           HN       HIS  62  55.431 -11.820  34.306
  453    HA   HIS  62           HA       HIS  62  55.087 -14.309  33.123
  454    HB2  HIS  62           HB2      HIS  62  57.376 -13.143  34.703
  455    HB3  HIS  62           HB1      HIS  62  57.469 -14.738  33.957
  456    HD2  HIS  62           HD2      HIS  62  56.301 -14.270  31.022
  457    HE1  HIS  62           HE1      HIS  62  58.774 -10.857  30.781
  458    HE2  HIS  62           HE2      HIS  62  57.404 -12.516  29.433
  459    H    HIS  63           HN       HIS  63  56.757 -14.266  36.219
  460    HA   HIS  63           HA       HIS  63  54.823 -16.203  37.305
  461    HB2  HIS  63           HB2      HIS  63  57.045 -17.164  36.252
  462    HB3  HIS  63           HB1      HIS  63  57.743 -16.622  37.778
  463    HD2  HIS  63           HD2      HIS  63  54.753 -17.465  39.391
  464    HE1  HIS  63           HE1      HIS  63  56.137 -21.343  38.457
  465    HE2  HIS  63           HE2      HIS  63  54.523 -20.016  39.901
  466    H    HIS  64           HN       HIS  64  56.728 -16.656  39.506
  467    HA   HIS  64           HA       HIS  64  56.044 -14.269  41.071
  468    HB2  HIS  64           HB2      HIS  64  56.717 -17.113  41.761
  469    HB3  HIS  64           HB1      HIS  64  56.873 -15.846  42.977
  470    HD2  HIS  64           HD2      HIS  64  54.139 -18.085  41.571
  471    HE1  HIS  64           HE1      HIS  64  52.130 -14.818  43.335
  472    HE2  HIS  64           HE2      HIS  64  51.835 -17.144  42.361
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  89.511 -45.773   7.122
    2    H2   MET   1           HT2      MET   1  88.732 -47.147   6.499
    3    H3   MET   1           HT3      MET   1  87.892 -46.081   7.520
    4    HA   MET   1           HA       MET   1  87.218 -45.743   5.237
    5    HB2  MET   1           HB2      MET   1  88.384 -43.751   6.986
    6    HB3  MET   1           HB1      MET   1  88.581 -43.277   5.299
    7    HG2  MET   1           HG2      MET   1  86.173 -43.634   4.910
    8    HG3  MET   1           HG1      MET   1  85.970 -44.119   6.593
    9    HE1  MET   1           HE1      MET   1  84.427 -42.018   4.999
   10    HE2  MET   1           HE2      MET   1  85.747 -41.227   4.139
   11    HE3  MET   1           HE3      MET   1  84.790 -40.314   5.303
   12    H    GLU   2           HN       GLU   2  87.994 -44.561   3.186
   13    HA   GLU   2           HA       GLU   2  90.335 -45.983   2.209
   14    HB2  GLU   2           HB2      GLU   2  89.502 -44.438   0.120
   15    HB3  GLU   2           HB1      GLU   2  88.879 -46.048   0.475
   16    HG2  GLU   2           HG2      GLU   2  87.023 -45.131   1.721
   17    HG3  GLU   2           HG1      GLU   2  87.695 -43.505   1.615
   18    H    GLU   3           HN       GLU   3  89.354 -42.666   1.431
   19    HA   GLU   3           HA       GLU   3  91.805 -41.568   2.549
   20    HB2  GLU   3           HB2      GLU   3  91.522 -42.206  -0.285
   21    HB3  GLU   3           HB1      GLU   3  91.885 -40.503  -0.008
   22    HG2  GLU   3           HG2      GLU   3  93.425 -42.759   1.296
   23    HG3  GLU   3           HG1      GLU   3  93.918 -42.001  -0.217
   24    H    GLY   4           HN       GLY   4  90.561 -40.205   3.800
   25    HA2  GLY   4           HA2      GLY   4  88.501 -38.551   2.579
   26    HA3  GLY   4           HA1      GLY   4  88.958 -38.570   4.280
   27    H    GLY   5           HN       GLY   5  89.792 -36.699   4.928
   28    HA2  GLY   5           HA2      GLY   5  91.493 -35.052   4.974
   29    HA3  GLY   5           HA1      GLY   5  91.809 -35.363   3.269
   30    H    ASP   6           HN       ASP   6  89.307 -34.069   5.448
   31    HA   ASP   6           HA       ASP   6  87.902 -32.262   5.237
   32    HB2  ASP   6           HB2      ASP   6  90.166 -31.265   4.392
   33    HB3  ASP   6           HB1      ASP   6  89.406 -31.356   2.805
   34    H    PHE   7           HN       PHE   7  86.825 -34.481   4.298
   35    HA   PHE   7           HA       PHE   7  85.269 -33.552   2.006
   36    HB2  PHE   7           HB2      PHE   7  86.869 -36.114   2.030
   37    HB3  PHE   7           HB1      PHE   7  85.503 -35.851   0.945
   38    HD1  PHE   7           HD1      PHE   7  85.541 -33.714  -0.517
   39    HD2  PHE   7           HD2      PHE   7  89.005 -35.304   1.465
   40    HE1  PHE   7           HE1      PHE   7  87.008 -32.440  -2.058
   41    HE2  PHE   7           HE2      PHE   7  90.471 -34.030  -0.076
   42    HZ   PHE   7           HZ       PHE   7  89.473 -32.597  -1.837
   43    H    ASP   8           HN       ASP   8  84.543 -33.731   4.702
   44    HA   ASP   8           HA       ASP   8  82.279 -35.529   4.492
   45    HB2  ASP   8           HB2      ASP   8  84.090 -36.974   5.419
   46    HB3  ASP   8           HB1      ASP   8  84.225 -35.867   6.784
   47    H    ASN   9           HN       ASN   9  81.854 -32.998   4.444
   48    HA   ASN   9           HA       ASN   9  80.938 -32.315   7.157
   49    HB2  ASN   9           HB2      ASN   9  83.053 -31.080   6.693
   50    HB3  ASN   9           HB1      ASN   9  82.278 -30.348   5.289
   51   HD21  ASN   9          HD21      ASN   9  79.991 -29.310   5.923
   52   HD22  ASN   9          HD22      ASN   9  79.999 -28.397   7.353
   53    H    TYR  10           HN       TYR  10  80.793 -31.541   3.691
   54    HA   TYR  10           HA       TYR  10  78.064 -30.505   4.045
   55    HB2  TYR  10           HB2      TYR  10  78.316 -29.753   1.685
   56    HB3  TYR  10           HB1      TYR  10  79.555 -29.089   2.752
   57    HD1  TYR  10           HD2      TYR  10  78.859 -31.586   0.113
   58    HD2  TYR  10           HD1      TYR  10  81.873 -29.752   2.562
   59    HE1  TYR  10           HE2      TYR  10  80.625 -32.593  -1.307
   60    HE2  TYR  10           HE1      TYR  10  83.640 -30.758   1.142
   61    HH   TYR  10           HH       TYR  10  82.800 -32.826  -1.643
   62    H    TYR  11           HN       TYR  11  79.133 -33.431   3.945
   63    HA   TYR  11           HA       TYR  11  77.661 -34.472   1.650
   64    HB2  TYR  11           HB2      TYR  11  79.262 -35.834   3.828
   65    HB3  TYR  11           HB1      TYR  11  78.464 -36.683   2.503
   66    HD1  TYR  11           HD1      TYR  11  80.913 -33.940   3.196
   67    HD2  TYR  11           HD2      TYR  11  79.542 -36.925   0.428
   68    HE1  TYR  11           HE1      TYR  11  82.851 -33.463   1.721
   69    HE2  TYR  11           HE2      TYR  11  81.478 -36.448  -1.046
   70    HH   TYR  11           HH       TYR  11  84.147 -35.056  -0.182
   71    H    GLY  12           HN       GLY  12  75.822 -33.213   3.039
   72    HA2  GLY  12           HA2      GLY  12  74.000 -35.252   3.831
   73    HA3  GLY  12           HA1      GLY  12  74.608 -34.390   5.241
   74    H    ALA  13           HN       ALA  13  74.507 -31.940   5.052
   75    HA   ALA  13           HA       ALA  13  72.833 -30.580   3.290
   76    HB1  ALA  13           HB1      ALA  13  70.860 -30.354   5.023
   77    HB2  ALA  13           HB2      ALA  13  71.416 -31.945   5.547
   78    HB3  ALA  13           HB3      ALA  13  70.892 -31.697   3.880
   79    H    ASP  14           HN       ASP  14  74.825 -29.369   3.925
   80    HA   ASP  14           HA       ASP  14  74.552 -27.947   6.489
   81    HB2  ASP  14           HB2      ASP  14  76.746 -29.068   5.694
   82    HB3  ASP  14           HB1      ASP  14  76.879 -27.693   4.599
   83    H    ASN  15           HN       ASN  15  75.729 -27.013   3.254
   84    HA   ASN  15           HA       ASN  15  73.726 -24.981   2.923
   85    HB2  ASN  15           HB2      ASN  15  75.269 -23.954   4.626
   86    HB3  ASN  15           HB1      ASN  15  76.552 -24.029   3.420
   87   HD21  ASN  15          HD21      ASN  15  76.013 -21.494   4.198
   88   HD22  ASN  15          HD22      ASN  15  75.074 -20.668   3.049
   89    H    GLN  16           HN       GLN  16  74.309 -27.014   1.261
   90    HA   GLN  16           HA       GLN  16  76.301 -26.418  -0.695
   91    HB2  GLN  16           HB2      GLN  16  74.939 -28.082  -2.082
   92    HB3  GLN  16           HB1      GLN  16  75.607 -28.681  -0.564
   93    HG2  GLN  16           HG2      GLN  16  72.912 -27.443  -0.408
   94    HG3  GLN  16           HG1      GLN  16  73.009 -28.991  -1.246
   95   HE21  GLN  16          HE21      GLN  16  72.962 -27.497   1.868
   96   HE22  GLN  16          HE22      GLN  16  73.291 -28.892   2.778
   97    H    SER  17           HN       SER  17  73.187 -25.168  -0.060
   98    HA   SER  17           HA       SER  17  73.292 -23.149  -1.966
   99    HB2  SER  17           HB2      SER  17  71.347 -24.164  -3.438
  100    HB3  SER  17           HB1      SER  17  73.034 -24.501  -3.819
  101    HG   SER  17           HG       SER  17  72.847 -26.478  -2.887
  102    H    GLU  18           HN       GLU  18  72.571 -22.465   0.248
  103    HA   GLU  18           HA       GLU  18  69.782 -23.008   0.896
  104    HB2  GLU  18           HB2      GLU  18  71.707 -22.752   2.592
  105    HB3  GLU  18           HB1      GLU  18  71.563 -21.021   2.292
  106    HG2  GLU  18           HG2      GLU  18  69.041 -21.344   2.751
  107    HG3  GLU  18           HG1      GLU  18  69.502 -22.898   3.444
  108    H    CYS  19           HN       CYS  19  68.112 -21.724   0.398
  109    HA   CYS  19           HA       CYS  19  66.901 -19.939  -0.391
  110    HB2  CYS  19           HB2      CYS  19  68.571 -18.806   1.357
  111    HB3  CYS  19           HB1      CYS  19  69.197 -18.063  -0.114
  112    HG   CYS  19           HG       CYS  19  66.961 -16.898  -0.501
  113    H    GLU  20           HN       GLU  20  69.645 -21.132  -1.803
  114    HA   GLU  20           HA       GLU  20  69.497 -19.381  -4.161
  115    HB2  GLU  20           HB2      GLU  20  71.499 -21.435  -3.229
  116    HB3  GLU  20           HB1      GLU  20  71.519 -20.786  -4.869
  117    HG2  GLU  20           HG2      GLU  20  71.734 -18.509  -4.000
  118    HG3  GLU  20           HG1      GLU  20  71.627 -19.108  -2.346
  119    H    TYR  21           HN       TYR  21  67.549 -21.575  -3.275
  120    HA   TYR  21           HA       TYR  21  67.787 -23.537  -5.410
  121    HB2  TYR  21           HB2      TYR  21  66.619 -23.543  -2.886
  122    HB3  TYR  21           HB1      TYR  21  65.245 -23.498  -3.991
  123    HD1  TYR  21           HD2      TYR  21  65.990 -24.991  -6.294
  124    HD2  TYR  21           HD1      TYR  21  67.041 -25.737  -2.195
  125    HE1  TYR  21           HE2      TYR  21  66.321 -27.393  -6.815
  126    HE2  TYR  21           HE1      TYR  21  67.371 -28.138  -2.717
  127    HH   TYR  21           HH       TYR  21  67.478 -29.318  -5.948
  128    H    THR  22           HN       THR  22  67.357 -20.619  -5.967
  129    HA   THR  22           HA       THR  22  66.167 -19.322  -7.443
  130    HB   THR  22           HB       THR  22  65.353 -20.377  -9.370
  131    HG1  THR  22           HG1      THR  22  64.675 -22.608  -9.258
  132   HG21  THR  22          HG21      THR  22  67.032 -21.923  -9.941
  133   HG22  THR  22          HG22      THR  22  67.101 -22.587  -8.308
  134   HG23  THR  22          HG23      THR  22  67.767 -20.988  -8.638
  135    H    ASP  23           HN       ASP  23  65.053 -19.603  -4.901
  136    HA   ASP  23           HA       ASP  23  62.195 -19.304  -5.545
  137    HB2  ASP  23           HB2      ASP  23  63.377 -21.000  -3.346
  138    HB3  ASP  23           HB1      ASP  23  61.713 -20.420  -3.303
  139    H    TRP  24           HN       TRP  24  64.876 -17.852  -4.498
  140    HA   TRP  24           HA       TRP  24  63.961 -16.546  -2.107
  141    HB2  TRP  24           HB2      TRP  24  65.940 -15.092  -2.448
  142    HB3  TRP  24           HB1      TRP  24  66.349 -16.805  -2.532
  143    HD1  TRP  24           HD1      TRP  24  66.677 -17.855  -5.020
  144    HE1  TRP  24           HE1      TRP  24  67.510 -16.743  -7.192
  145    HE3  TRP  24           HE3      TRP  24  66.030 -12.938  -3.800
  146    HZ2  TRP  24           HZ2      TRP  24  67.857 -14.117  -8.270
  147    HZ3  TRP  24           HZ3      TRP  24  66.620 -11.154  -5.417
  148    HH2  TRP  24           HH2      TRP  24  67.532 -11.738  -7.648
  149    H    LYS  25           HN       LYS  25  63.653 -15.996  -5.521
  150    HA   LYS  25           HA       LYS  25  62.621 -13.277  -5.064
  151    HB2  LYS  25           HB2      LYS  25  62.539 -13.414  -7.695
  152    HB3  LYS  25           HB1      LYS  25  64.068 -13.130  -6.866
  153    HG2  LYS  25           HG2      LYS  25  64.255 -14.893  -8.615
  154    HG3  LYS  25           HG1      LYS  25  64.626 -15.507  -7.004
  155    HD2  LYS  25           HD2      LYS  25  62.526 -16.599  -6.817
  156    HD3  LYS  25           HD1      LYS  25  61.846 -15.695  -8.170
  157    HE2  LYS  25           HE2      LYS  25  62.478 -18.072  -8.733
  158    HE3  LYS  25           HE1      LYS  25  63.259 -16.857  -9.746
  159    HZ1  LYS  25           HZ1      LYS  25  64.532 -17.931  -7.301
  160    HZ2  LYS  25           HZ2      LYS  25  65.258 -17.067  -8.571
  161    HZ3  LYS  25           HZ3      LYS  25  64.730 -18.662  -8.818
  162    H    SER  26           HN       SER  26  61.422 -16.263  -4.891
  163    HA   SER  26           HA       SER  26  58.950 -15.713  -6.389
  164    HB2  SER  26           HB2      SER  26  59.917 -18.239  -5.032
  165    HB3  SER  26           HB1      SER  26  58.411 -18.082  -5.930
  166    HG   SER  26           HG       SER  26  60.421 -17.116  -7.399
  167    H    SER  27           HN       SER  27  59.832 -17.078  -3.205
  168    HA   SER  27           HA       SER  27  57.290 -16.615  -2.043
  169    HB2  SER  27           HB2      SER  27  58.200 -17.891  -0.444
  170    HB3  SER  27           HB1      SER  27  59.752 -17.800  -1.269
  171    HG   SER  27           HG       SER  27  60.284 -16.037  -0.066
  172    H    GLY  28           HN       GLY  28  59.435 -14.393  -3.114
  173    HA2  GLY  28           HA2      GLY  28  58.984 -12.482  -0.917
  174    HA3  GLY  28           HA1      GLY  28  60.166 -12.300  -2.210
  175    H    ALA  29           HN       ALA  29  56.848 -13.303  -2.753
  176    HA   ALA  29           HA       ALA  29  55.895 -10.680  -3.454
  177    HB1  ALA  29           HB1      ALA  29  57.404 -11.388  -5.396
  178    HB2  ALA  29           HB2      ALA  29  55.757 -10.912  -5.808
  179    HB3  ALA  29           HB3      ALA  29  56.192 -12.621  -5.743
  180    H    LEU  30           HN       LEU  30  55.502 -13.913  -2.695
  181    HA   LEU  30           HA       LEU  30  52.619 -13.864  -3.357
  182    HB2  LEU  30           HB2      LEU  30  54.267 -16.293  -2.648
  183    HB3  LEU  30           HB1      LEU  30  52.653 -16.251  -3.358
  184    HG   LEU  30           HG       LEU  30  55.205 -15.271  -4.672
  185   HD11  LEU  30          HD11      LEU  30  53.808 -17.240  -6.181
  186   HD12  LEU  30          HD12      LEU  30  53.942 -17.845  -4.530
  187   HD13  LEU  30          HD13      LEU  30  55.393 -17.384  -5.422
  188   HD21  LEU  30          HD21      LEU  30  52.290 -15.102  -5.410
  189   HD22  LEU  30          HD22      LEU  30  53.516 -15.196  -6.675
  190   HD23  LEU  30          HD23      LEU  30  53.535 -13.859  -5.525
  191    H    ILE  31           HN       ILE  31  54.998 -14.241  -0.817
  192    HA   ILE  31           HA       ILE  31  53.083 -15.045   1.177
  193    HB   ILE  31           HB       ILE  31  55.996 -14.566   1.063
  194   HG12  ILE  31          HG12      ILE  31  55.994 -16.597   2.414
  195   HG13  ILE  31          HG11      ILE  31  54.253 -16.460   2.662
  196   HG21  ILE  31          HG21      ILE  31  55.572 -12.984   2.830
  197   HG22  ILE  31          HG22      ILE  31  56.089 -14.481   3.599
  198   HG23  ILE  31          HG23      ILE  31  54.381 -14.052   3.579
  199   HD11  ILE  31          HD11      ILE  31  55.345 -17.961   0.691
  200   HD12  ILE  31          HD12      ILE  31  55.168 -16.429  -0.162
  201   HD13  ILE  31          HD13      ILE  31  53.758 -17.206   0.555
  202    HA   PRO  32           HA       PRO  32  53.309 -10.486   2.434
  203    HB2  PRO  32           HB2      PRO  32  54.475  -8.668   0.805
  204    HB3  PRO  32           HB1      PRO  32  55.414  -9.669   1.928
  205    HG2  PRO  32           HG2      PRO  32  55.166  -9.856  -1.001
  206    HG3  PRO  32           HG1      PRO  32  56.493 -10.351   0.058
  207    HD2  PRO  32           HD2      PRO  32  54.481 -12.028  -1.079
  208    HD3  PRO  32           HD1      PRO  32  55.726 -12.492   0.098
  209    H    ALA  33           HN       ALA  33  52.215 -11.675  -0.468
  210    HA   ALA  33           HA       ALA  33  50.668  -9.335  -1.267
  211    HB1  ALA  33           HB1      ALA  33  49.830 -10.861  -3.064
  212    HB2  ALA  33           HB2      ALA  33  50.834 -12.143  -2.384
  213    HB3  ALA  33           HB3      ALA  33  51.586 -10.691  -3.047
  214    H    ILE  34           HN       ILE  34  50.352 -11.361   1.196
  215    HA   ILE  34           HA       ILE  34  47.417 -11.221   1.124
  216    HB   ILE  34           HB       ILE  34  48.112 -13.634   2.452
  217   HG12  ILE  34          HG12      ILE  34  49.252 -13.418  -0.354
  218   HG13  ILE  34          HG11      ILE  34  50.211 -13.550   1.121
  219   HG21  ILE  34          HG21      ILE  34  46.637 -14.607   0.758
  220   HG22  ILE  34          HG22      ILE  34  46.817 -13.174  -0.253
  221   HG23  ILE  34          HG23      ILE  34  45.980 -13.062   1.295
  222   HD11  ILE  34          HD11      ILE  34  48.241 -15.599   0.066
  223   HD12  ILE  34          HD12      ILE  34  49.070 -15.716   1.618
  224   HD13  ILE  34          HD13      ILE  34  49.997 -15.760   0.118
  225    H    TYR  35           HN       TYR  35  50.223 -12.147   3.122
  226    HA   TYR  35           HA       TYR  35  49.074 -11.839   5.632
  227    HB2  TYR  35           HB2      TYR  35  51.761 -11.986   4.540
  228    HB3  TYR  35           HB1      TYR  35  51.684 -10.896   5.925
  229    HD1  TYR  35           HD1      TYR  35  50.651 -11.719   8.088
  230    HD2  TYR  35           HD2      TYR  35  51.590 -14.343   4.817
  231    HE1  TYR  35           HE1      TYR  35  50.535 -13.668   9.617
  232    HE2  TYR  35           HE2      TYR  35  51.473 -16.291   6.348
  233    HH   TYR  35           HH       TYR  35  51.816 -16.353   9.272
  234    H    MET  36           HN       MET  36  50.181  -9.420   3.366
  235    HA   MET  36           HA       MET  36  50.347  -7.218   5.132
  236    HB2  MET  36           HB2      MET  36  49.752  -7.370   2.170
  237    HB3  MET  36           HB1      MET  36  50.003  -5.857   3.042
  238    HG2  MET  36           HG2      MET  36  52.005  -8.129   3.059
  239    HG3  MET  36           HG1      MET  36  52.074  -6.789   1.914
  240    HE1  MET  36           HE1      MET  36  54.977  -5.981   4.085
  241    HE2  MET  36           HE2      MET  36  54.345  -7.145   2.923
  242    HE3  MET  36           HE3      MET  36  54.396  -7.559   4.635
  243    H    LEU  37           HN       LEU  37  47.735  -8.040   2.832
  244    HA   LEU  37           HA       LEU  37  45.857  -6.183   3.580
  245    HB2  LEU  37           HB2      LEU  37  45.747  -8.904   2.415
  246    HB3  LEU  37           HB1      LEU  37  44.245  -8.310   3.128
  247    HG   LEU  37           HG       LEU  37  44.373  -6.276   1.762
  248   HD11  LEU  37          HD11      LEU  37  46.245  -6.636  -0.165
  249   HD12  LEU  37          HD12      LEU  37  47.075  -7.373   1.205
  250   HD13  LEU  37          HD13      LEU  37  46.539  -5.697   1.298
  251   HD21  LEU  37          HD21      LEU  37  44.901  -8.261  -0.351
  252   HD22  LEU  37          HD22      LEU  37  43.442  -7.323  -0.029
  253   HD23  LEU  37          HD23      LEU  37  43.753  -8.808   0.871
  254    H    VAL  38           HN       VAL  38  47.097  -8.753   5.462
  255    HA   VAL  38           HA       VAL  38  44.826  -8.690   7.326
  256    HB   VAL  38           HB       VAL  38  47.307 -10.401   7.527
  257   HG11  VAL  38          HG11      VAL  38  44.478 -10.659   8.594
  258   HG12  VAL  38          HG12      VAL  38  45.911 -10.254   9.540
  259   HG13  VAL  38          HG13      VAL  38  45.756 -11.853   8.813
  260   HG21  VAL  38          HG21      VAL  38  45.251 -11.998   6.562
  261   HG22  VAL  38          HG22      VAL  38  46.608 -11.393   5.611
  262   HG23  VAL  38          HG23      VAL  38  45.079 -10.515   5.624
  263    H    PHE  39           HN       PHE  39  48.379  -8.361   7.377
  264    HA   PHE  39           HA       PHE  39  48.849  -7.654   9.963
  265    HB2  PHE  39           HB2      PHE  39  50.341  -7.592   7.703
  266    HB3  PHE  39           HB1      PHE  39  50.142  -5.864   7.992
  267    HD1  PHE  39           HD1      PHE  39  51.268  -9.055   9.541
  268    HD2  PHE  39           HD2      PHE  39  51.272  -4.766   9.779
  269    HE1  PHE  39           HE1      PHE  39  52.974  -9.156  11.338
  270    HE2  PHE  39           HE2      PHE  39  52.977  -4.868  11.578
  271    HZ   PHE  39           HZ       PHE  39  53.828  -7.063  12.357
  272    H    LEU  40           HN       LEU  40  47.121  -5.819   7.573
  273    HA   LEU  40           HA       LEU  40  46.826  -3.583   9.492
  274    HB2  LEU  40           HB2      LEU  40  46.415  -3.461   6.500
  275    HB3  LEU  40           HB1      LEU  40  46.486  -2.110   7.631
  276    HG   LEU  40           HG       LEU  40  48.765  -4.015   7.011
  277   HD11  LEU  40          HD11      LEU  40  49.312  -2.599   5.351
  278   HD12  LEU  40          HD12      LEU  40  49.295  -1.241   6.476
  279   HD13  LEU  40          HD13      LEU  40  47.815  -1.713   5.640
  280   HD21  LEU  40          HD21      LEU  40  49.977  -2.067   8.310
  281   HD22  LEU  40          HD22      LEU  40  49.166  -3.345   9.214
  282   HD23  LEU  40          HD23      LEU  40  48.375  -1.785   8.989
  283    H    LEU  41           HN       LEU  41  45.148  -5.058  10.437
  284    HA   LEU  41           HA       LEU  41  42.551  -4.342   9.343
  285    HB2  LEU  41           HB2      LEU  41  43.689  -6.958   8.922
  286    HB3  LEU  41           HB1      LEU  41  42.256  -7.079   9.942
  287    HG   LEU  41           HG       LEU  41  42.350  -5.543   7.331
  288   HD11  LEU  41          HD11      LEU  41  42.647  -7.930   6.896
  289   HD12  LEU  41          HD12      LEU  41  41.011  -7.449   6.442
  290   HD13  LEU  41          HD13      LEU  41  41.288  -8.316   7.953
  291   HD21  LEU  41          HD21      LEU  41  40.537  -5.539   9.510
  292   HD22  LEU  41          HD22      LEU  41  39.757  -6.449   8.217
  293   HD23  LEU  41          HD23      LEU  41  40.307  -4.799   7.927
  294    H    GLY  42           HN       GLY  42  44.044  -6.572  11.703
  295    HA2  GLY  42           HA2      GLY  42  42.064  -5.736  13.704
  296    HA3  GLY  42           HA1      GLY  42  43.141  -7.124  13.827
  297    H    THR  43           HN       THR  43  44.758  -4.396  12.680
  298    HA   THR  43           HA       THR  43  45.544  -3.505  15.373
  299    HB   THR  43           HB       THR  43  47.413  -4.780  15.141
  300    HG1  THR  43           HG1      THR  43  48.897  -3.378  14.687
  301   HG21  THR  43          HG21      THR  43  46.748  -6.100  13.293
  302   HG22  THR  43          HG22      THR  43  48.284  -5.393  12.793
  303   HG23  THR  43          HG23      THR  43  46.768  -4.720  12.194
  304    H    THR  44           HN       THR  44  46.807  -2.908  12.100
  305    HA   THR  44           HA       THR  44  47.289  -0.891  11.069
  306    HB   THR  44           HB       THR  44  45.373  -0.067  10.176
  307    HG1  THR  44           HG1      THR  44  44.482   0.095  12.855
  308   HG21  THR  44          HG21      THR  44  45.025  -2.579  10.613
  309   HG22  THR  44          HG22      THR  44  43.587  -1.624  10.251
  310   HG23  THR  44          HG23      THR  44  43.948  -2.079  11.916
  311    H    GLY  45           HN       GLY  45  47.660  -1.035  14.080
  312    HA2  GLY  45           HA2      GLY  45  48.854   0.655  15.299
  313    HA3  GLY  45           HA1      GLY  45  47.875   1.877  14.491
  314    H    ASN  46           HN       ASN  46  46.483  -1.051  15.792
  315    HA   ASN  46           HA       ASN  46  45.364   0.472  18.066
  316    HB2  ASN  46           HB2      ASN  46  43.848  -1.436  16.269
  317    HB3  ASN  46           HB1      ASN  46  43.202  -0.627  17.696
  318   HD21  ASN  46          HD21      ASN  46  43.594  -0.324  14.319
  319   HD22  ASN  46          HD22      ASN  46  43.233   1.330  14.189
  320    H    GLY  47           HN       GLY  47  46.402  -2.588  16.710
  321    HA2  GLY  47           HA2      GLY  47  45.873  -4.032  19.189
  322    HA3  GLY  47           HA1      GLY  47  46.536  -4.710  17.704
  323    H    LEU  48           HN       LEU  48  48.338  -2.122  17.884
  324    HA   LEU  48           HA       LEU  48  50.294  -3.246  19.797
  325    HB2  LEU  48           HB2      LEU  48  51.420  -1.794  17.497
  326    HB3  LEU  48           HB1      LEU  48  51.951  -3.292  18.254
  327    HG   LEU  48           HG       LEU  48  49.590  -3.041  16.358
  328   HD11  LEU  48          HD11      LEU  48  51.106  -4.382  14.850
  329   HD12  LEU  48          HD12      LEU  48  52.417  -4.056  15.984
  330   HD13  LEU  48          HD13      LEU  48  51.637  -2.724  15.131
  331   HD21  LEU  48          HD21      LEU  48  50.679  -5.692  16.707
  332   HD22  LEU  48          HD22      LEU  48  49.034  -5.134  17.005
  333   HD23  LEU  48          HD23      LEU  48  50.247  -5.027  18.280
  334    H    VAL  49           HN       VAL  49  48.334  -1.118  20.174
  335    HA   VAL  49           HA       VAL  49  50.219   1.056  20.824
  336    HB   VAL  49           HB       VAL  49  47.438   1.487  19.711
  337   HG11  VAL  49          HG11      VAL  49  48.075   3.280  21.183
  338   HG12  VAL  49          HG12      VAL  49  48.332   3.856  19.535
  339   HG13  VAL  49          HG13      VAL  49  49.705   3.330  20.511
  340   HG21  VAL  49          HG21      VAL  49  48.796   0.695  17.903
  341   HG22  VAL  49          HG22      VAL  49  50.186   1.634  18.447
  342   HG23  VAL  49          HG23      VAL  49  48.783   2.454  17.762
  343    H    LEU  50           HN       LEU  50  46.843  -0.023  21.283
  344    HA   LEU  50           HA       LEU  50  46.976   0.944  24.063
  345    HB2  LEU  50           HB2      LEU  50  44.525   0.735  24.041
  346    HB3  LEU  50           HB1      LEU  50  45.085   1.754  22.715
  347    HG   LEU  50           HG       LEU  50  45.117  -0.883  21.717
  348   HD11  LEU  50          HD11      LEU  50  42.768  -1.584  22.080
  349   HD12  LEU  50          HD12      LEU  50  42.552  -0.244  23.207
  350   HD13  LEU  50          HD13      LEU  50  43.673  -1.550  23.593
  351   HD21  LEU  50          HD21      LEU  50  44.618   1.141  20.428
  352   HD22  LEU  50          HD22      LEU  50  43.134   1.388  21.350
  353   HD23  LEU  50          HD23      LEU  50  43.284  -0.002  20.274
  354    H    TRP  51           HN       TRP  51  46.820  -1.914  22.123
  355    HA   TRP  51           HA       TRP  51  45.899  -3.662  24.227
  356    HB2  TRP  51           HB2      TRP  51  45.376  -4.599  22.197
  357    HB3  TRP  51           HB1      TRP  51  46.819  -3.966  21.411
  358    HD1  TRP  51           HD1      TRP  51  45.455  -7.008  23.068
  359    HE1  TRP  51           HE1      TRP  51  47.280  -8.824  23.226
  360    HE3  TRP  51           HE3      TRP  51  49.561  -4.252  21.795
  361    HZ2  TRP  51           HZ2      TRP  51  50.105  -9.074  22.863
  362    HZ3  TRP  51           HZ3      TRP  51  51.804  -5.303  21.708
  363    HH2  TRP  51           HH2      TRP  51  52.080  -7.708  22.240
  364    H    THR  52           HN       THR  52  48.819  -2.139  23.518
  365    HA   THR  52           HA       THR  52  50.514  -4.248  24.605
  366    HB   THR  52           HB       THR  52  51.217  -2.737  22.695
  367    HG1  THR  52           HG1      THR  52  53.239  -2.934  23.358
  368   HG21  THR  52          HG21      THR  52  51.847  -0.491  23.140
  369   HG22  THR  52          HG22      THR  52  51.711  -0.715  24.884
  370   HG23  THR  52          HG23      THR  52  50.259  -0.675  23.884
  371    H    VAL  53           HN       VAL  53  49.391  -1.000  25.477
  372    HA   VAL  53           HA       VAL  53  50.816  -0.533  27.786
  373    HB   VAL  53           HB       VAL  53  47.939   0.107  27.122
  374   HG11  VAL  53          HG11      VAL  53  47.924   0.271  29.460
  375   HG12  VAL  53          HG12      VAL  53  48.397   1.899  28.973
  376   HG13  VAL  53          HG13      VAL  53  49.618   0.757  29.533
  377   HG21  VAL  53          HG21      VAL  53  50.267   1.063  26.047
  378   HG22  VAL  53          HG22      VAL  53  50.018   2.196  27.375
  379   HG23  VAL  53          HG23      VAL  53  48.771   1.993  26.144
  380    H    PHE  54           HN       PHE  54  48.337  -2.897  27.237
  381    HA   PHE  54           HA       PHE  54  48.126  -3.450  30.121
  382    HB2  PHE  54           HB2      PHE  54  45.994  -3.969  29.686
  383    HB3  PHE  54           HB1      PHE  54  46.254  -3.494  28.006
  384    HD1  PHE  54           HD2      PHE  54  46.500  -6.354  30.382
  385    HD2  PHE  54           HD1      PHE  54  46.380  -5.112  26.272
  386    HE1  PHE  54           HE2      PHE  54  46.271  -8.720  29.674
  387    HE2  PHE  54           HE1      PHE  54  46.152  -7.478  25.564
  388    HZ   PHE  54           HZ       PHE  54  46.097  -9.282  27.265
  389    H    ARG  55           HN       ARG  55  49.533  -4.622  27.203
  390    HA   ARG  55           HA       ARG  55  49.940  -7.322  28.230
  391    HB2  ARG  55           HB2      ARG  55  49.512  -6.695  25.766
  392    HB3  ARG  55           HB1      ARG  55  51.193  -6.168  25.749
  393    HG2  ARG  55           HG2      ARG  55  51.448  -8.376  25.099
  394    HG3  ARG  55           HG1      ARG  55  51.613  -8.536  26.848
  395    HD2  ARG  55           HD2      ARG  55  48.933  -8.745  26.653
  396    HD3  ARG  55           HD1      ARG  55  49.380  -9.377  25.070
  397    HE   ARG  55           HE       ARG  55  49.924 -10.594  27.650
  398   HH11  ARG  55          HH21      ARG  55  50.616 -10.430  24.266
  399   HH12  ARG  55          HH22      ARG  55  51.256 -12.037  24.178
  400   HH21  ARG  55          HH11      ARG  55  50.758 -12.706  27.543
  401   HH22  ARG  55          HH12      ARG  55  51.337 -13.325  26.033
  402    H    LYS  56           HN       LYS  56  51.974  -4.575  27.216
  403    HA   LYS  56           HA       LYS  56  54.465  -5.563  27.863
  404    HB2  LYS  56           HB2      LYS  56  55.127  -3.192  28.224
  405    HB3  LYS  56           HB1      LYS  56  54.188  -3.423  26.752
  406    HG2  LYS  56           HG2      LYS  56  52.718  -1.887  27.487
  407    HG3  LYS  56           HG1      LYS  56  52.294  -2.981  28.802
  408    HD2  LYS  56           HD2      LYS  56  52.931  -0.991  29.898
  409    HD3  LYS  56           HD1      LYS  56  54.361  -2.010  30.023
  410    HE2  LYS  56           HE2      LYS  56  55.368  -0.877  28.092
  411    HE3  LYS  56           HE1      LYS  56  53.909   0.091  27.879
  412    HZ1  LYS  56           HZ1      LYS  56  54.622   1.513  29.397
  413    HZ2  LYS  56           HZ2      LYS  56  56.092   0.663  29.482
  414    HZ3  LYS  56           HZ3      LYS  56  54.822   0.281  30.545
  415    H    LYS  57           HN       LYS  57  51.872  -4.906  29.975
  416    HA   LYS  57           HA       LYS  57  53.269  -4.220  32.340
  417    HB2  LYS  57           HB2      LYS  57  50.646  -5.701  32.035
  418    HB3  LYS  57           HB1      LYS  57  51.229  -4.925  33.508
  419    HG2  LYS  57           HG2      LYS  57  51.433  -2.796  32.001
  420    HG3  LYS  57           HG1      LYS  57  50.315  -3.654  30.939
  421    HD2  LYS  57           HD2      LYS  57  48.745  -2.648  32.270
  422    HD3  LYS  57           HD1      LYS  57  49.068  -4.039  33.305
  423    HE2  LYS  57           HE2      LYS  57  49.235  -2.113  34.717
  424    HE3  LYS  57           HE1      LYS  57  50.890  -2.638  34.407
  425    HZ1  LYS  57           HZ1      LYS  57  50.686  -1.008  32.414
  426    HZ2  LYS  57           HZ2      LYS  57  51.024  -0.409  33.968
  427    HZ3  LYS  57           HZ3      LYS  57  49.447  -0.312  33.341
  428    H    GLY  58           HN       GLY  58  52.452  -7.309  30.849
  429    HA2  GLY  58           HA2      GLY  58  54.310  -9.001  31.349
  430    HA3  GLY  58           HA1      GLY  58  53.856  -8.727  33.028
  431    H    HIS  59           HN       HIS  59  52.300  -9.492  29.910
  432    HA   HIS  59           HA       HIS  59  50.414 -10.760  29.463
  433    HB2  HIS  59           HB2      HIS  59  50.697 -13.111  30.205
  434    HB3  HIS  59           HB1      HIS  59  52.175 -12.439  29.517
  435    HD2  HIS  59           HD2      HIS  59  54.263 -11.956  31.414
  436    HE1  HIS  59           HE1      HIS  59  52.337 -13.896  34.631
  437    HE2  HIS  59           HE2      HIS  59  54.527 -12.882  33.841
  438    H    HIS  60           HN       HIS  60  49.105  -9.207  30.774
  439    HA   HIS  60           HA       HIS  60  47.588  -8.701  32.441
  440    HB2  HIS  60           HB2      HIS  60  46.744 -10.839  31.085
  441    HB3  HIS  60           HB1      HIS  60  46.914 -11.593  32.672
  442    HD2  HIS  60           HD2      HIS  60  45.441  -7.981  31.824
  443    HE1  HIS  60           HE1      HIS  60  42.643 -10.124  34.149
  444    HE2  HIS  60           HE2      HIS  60  43.126  -7.898  33.028
  445    H    HIS  61           HN       HIS  61  50.307  -9.419  33.347
  446    HA   HIS  61           HA       HIS  61  49.615 -10.018  36.134
  447    HB2  HIS  61           HB2      HIS  61  50.559 -12.044  34.679
  448    HB3  HIS  61           HB1      HIS  61  52.096 -11.270  35.065
  449    HD2  HIS  61           HD2      HIS  61  50.983 -10.332  38.187
  450    HE1  HIS  61           HE1      HIS  61  50.934 -14.513  38.772
  451    HE2  HIS  61           HE2      HIS  61  50.912 -12.260  39.946
  452    H    HIS  62           HN       HIS  62  52.456 -10.239  36.759
  453    HA   HIS  62           HA       HIS  62  53.479  -7.559  36.124
  454    HB2  HIS  62           HB2      HIS  62  52.880  -8.615  38.884
  455    HB3  HIS  62           HB1      HIS  62  54.067  -7.339  38.612
  456    HD2  HIS  62           HD2      HIS  62  50.470  -7.428  39.485
  457    HE1  HIS  62           HE1      HIS  62  50.788  -4.063  36.956
  458    HE2  HIS  62           HE2      HIS  62  49.299  -5.257  38.631
  459    H    HIS  63           HN       HIS  63  55.215  -8.354  34.999
  460    HA   HIS  63           HA       HIS  63  57.353  -9.509  36.590
  461    HB2  HIS  63           HB2      HIS  63  55.919 -11.427  35.642
  462    HB3  HIS  63           HB1      HIS  63  56.566 -10.959  34.070
  463    HD2  HIS  63           HD2      HIS  63  59.547 -10.248  35.980
  464    HE1  HIS  63           HE1      HIS  63  59.707 -14.457  35.691
  465    HE2  HIS  63           HE2      HIS  63  61.048 -12.370  36.235
  466    H    HIS  64           HN       HIS  64  58.584  -7.707  36.158
  467    HA   HIS  64           HA       HIS  64  58.854  -6.454  33.650
  468    HB2  HIS  64           HB2      HIS  64  59.678  -5.830  36.132
  469    HB3  HIS  64           HB1      HIS  64  61.193  -6.453  35.478
  470    HD2  HIS  64           HD2      HIS  64  58.677  -3.490  34.783
  471    HE1  HIS  64           HE1      HIS  64  62.200  -2.804  32.559
  472    HE2  HIS  64           HE2      HIS  64  59.967  -1.812  33.254
  Start of MODEL   21
    1    H1   MET   1           HT1      MET   1  70.276   6.136 -20.796
    2    H2   MET   1           HT2      MET   1  69.279   5.579 -22.055
    3    H3   MET   1           HT3      MET   1  68.902   7.025 -21.245
    4    HA   MET   1           HA       MET   1  71.282   7.713 -22.061
    5    HB2  MET   1           HB2      MET   1  71.436   6.765 -24.461
    6    HB3  MET   1           HB1      MET   1  71.952   5.716 -23.140
    7    HG2  MET   1           HG2      MET   1  70.031   4.388 -23.268
    8    HG3  MET   1           HG1      MET   1  69.092   5.651 -24.066
    9    HE1  MET   1           HE1      MET   1  68.274   3.618 -25.472
   10    HE2  MET   1           HE2      MET   1  69.462   2.454 -24.891
   11    HE3  MET   1           HE3      MET   1  69.259   2.704 -26.622
   12    H    GLU   2           HN       GLU   2  67.977   7.103 -22.894
   13    HA   GLU   2           HA       GLU   2  66.402   8.311 -24.064
   14    HB2  GLU   2           HB2      GLU   2  67.957  10.143 -22.415
   15    HB3  GLU   2           HB1      GLU   2  67.250  10.947 -23.817
   16    HG2  GLU   2           HG2      GLU   2  65.695  10.972 -21.896
   17    HG3  GLU   2           HG1      GLU   2  65.038  10.039 -23.239
   18    H    GLU   3           HN       GLU   3  66.626   7.796 -26.195
   19    HA   GLU   3           HA       GLU   3  68.680   9.152 -27.788
   20    HB2  GLU   3           HB2      GLU   3  66.695   6.998 -28.556
   21    HB3  GLU   3           HB1      GLU   3  67.992   7.617 -29.580
   22    HG2  GLU   3           HG2      GLU   3  69.597   6.951 -27.704
   23    HG3  GLU   3           HG1      GLU   3  68.246   6.064 -26.999
   24    H    GLY   4           HN       GLY   4  65.175   8.508 -28.057
   25    HA2  GLY   4           HA2      GLY   4  63.901  10.749 -28.263
   26    HA3  GLY   4           HA1      GLY   4  64.915  10.952 -29.688
   27    H    GLY   5           HN       GLY   5  64.927   8.690 -31.002
   28    HA2  GLY   5           HA2      GLY   5  63.732   7.277 -32.371
   29    HA3  GLY   5           HA1      GLY   5  62.521   7.196 -31.094
   30    H    ASP   6           HN       ASP   6  60.572   7.891 -31.676
   31    HA   ASP   6           HA       ASP   6  60.258  10.327 -33.225
   32    HB2  ASP   6           HB2      ASP   6  60.552   8.362 -34.861
   33    HB3  ASP   6           HB1      ASP   6  58.968   7.826 -34.302
   34    H    PHE   7           HN       PHE   7  59.581   9.673 -30.573
   35    HA   PHE   7           HA       PHE   7  57.811  10.054 -29.146
   36    HB2  PHE   7           HB2      PHE   7  57.040  11.435 -31.285
   37    HB3  PHE   7           HB1      PHE   7  55.832  10.155 -31.374
   38    HD1  PHE   7           HD1      PHE   7  57.352  12.613 -28.999
   39    HD2  PHE   7           HD2      PHE   7  53.930  10.215 -29.991
   40    HE1  PHE   7           HE1      PHE   7  56.064  13.699 -27.180
   41    HE2  PHE   7           HE2      PHE   7  52.641  11.300 -28.171
   42    HZ   PHE   7           HZ       PHE   7  53.708  13.042 -26.765
   43    H    ASP   8           HN       ASP   8  58.633   7.458 -29.708
   44    HA   ASP   8           HA       ASP   8  56.151   6.003 -29.179
   45    HB2  ASP   8           HB2      ASP   8  58.071   5.260 -31.397
   46    HB3  ASP   8           HB1      ASP   8  56.780   4.219 -30.801
   47    H    ASN   9           HN       ASN   9  57.976   6.633 -27.288
   48    HA   ASN   9           HA       ASN   9  59.149   4.008 -26.672
   49    HB2  ASN   9           HB2      ASN   9  60.596   6.636 -26.791
   50    HB3  ASN   9           HB1      ASN   9  61.114   5.390 -25.657
   51   HD21  ASN   9          HD21      ASN   9  60.088   5.496 -29.127
   52   HD22  ASN   9          HD22      ASN   9  61.343   4.489 -29.670
   53    H    TYR  10           HN       TYR  10  60.006   6.755 -24.784
   54    HA   TYR  10           HA       TYR  10  58.805   5.709 -22.432
   55    HB2  TYR  10           HB2      TYR  10  60.509   7.947 -23.152
   56    HB3  TYR  10           HB1      TYR  10  59.298   8.417 -21.960
   57    HD1  TYR  10           HD2      TYR  10  59.010   6.947 -19.879
   58    HD2  TYR  10           HD1      TYR  10  62.382   6.649 -22.523
   59    HE1  TYR  10           HE2      TYR  10  60.296   5.779 -18.108
   60    HE2  TYR  10           HE1      TYR  10  63.667   5.481 -20.752
   61    HH   TYR  10           HH       TYR  10  62.188   4.291 -17.890
   62    H    TYR  11           HN       TYR  11  57.635   7.707 -24.972
   63    HA   TYR  11           HA       TYR  11  55.561   9.021 -23.476
   64    HB2  TYR  11           HB2      TYR  11  56.354   8.801 -26.335
   65    HB3  TYR  11           HB1      TYR  11  54.673   9.213 -25.996
   66    HD1  TYR  11           HD2      TYR  11  58.193  10.253 -25.532
   67    HD2  TYR  11           HD1      TYR  11  54.069  11.319 -24.977
   68    HE1  TYR  11           HE2      TYR  11  58.865  12.583 -25.015
   69    HE2  TYR  11           HE1      TYR  11  54.741  13.650 -24.460
   70    HH   TYR  11           HH       TYR  11  56.633  14.898 -23.734
   71    H    GLY  12           HN       GLY  12  54.753   7.071 -22.384
   72    HA2  GLY  12           HA2      GLY  12  52.327   6.213 -22.848
   73    HA3  GLY  12           HA1      GLY  12  53.165   5.265 -24.074
   74    H    ALA  13           HN       ALA  13  54.952   3.863 -23.307
   75    HA   ALA  13           HA       ALA  13  55.573   3.211 -20.710
   76    HB1  ALA  13           HB1      ALA  13  53.509   2.596 -19.937
   77    HB2  ALA  13           HB2      ALA  13  53.976   1.058 -20.664
   78    HB3  ALA  13           HB3      ALA  13  52.917   2.164 -21.541
   79    H    ASP  14           HN       ASP  14  57.344   2.031 -20.968
   80    HA   ASP  14           HA       ASP  14  57.368  -0.093 -23.019
   81    HB2  ASP  14           HB2      ASP  14  58.566   2.040 -23.752
   82    HB3  ASP  14           HB1      ASP  14  59.740   1.693 -22.483
   83    H    ASN  15           HN       ASN  15  59.776   1.187 -20.732
   84    HA   ASN  15           HA       ASN  15  60.340  -1.508 -19.801
   85    HB2  ASN  15           HB2      ASN  15  61.546   1.197 -19.218
   86    HB3  ASN  15           HB1      ASN  15  62.040  -0.265 -18.365
   87   HD21  ASN  15          HD21      ASN  15  61.125  -1.273 -21.406
   88   HD22  ASN  15          HD22      ASN  15  62.636  -1.223 -22.178
   89    H    GLN  16           HN       GLN  16  60.608   1.051 -17.523
   90    HA   GLN  16           HA       GLN  16  59.944   0.808 -15.256
   91    HB2  GLN  16           HB2      GLN  16  57.612   1.899 -15.196
   92    HB3  GLN  16           HB1      GLN  16  58.931   2.799 -15.939
   93    HG2  GLN  16           HG2      GLN  16  57.001   2.968 -17.384
   94    HG3  GLN  16           HG1      GLN  16  58.180   1.931 -18.178
   95   HE21  GLN  16          HE21      GLN  16  57.147   0.185 -19.136
   96   HE22  GLN  16          HE22      GLN  16  55.816  -0.642 -18.484
   97    H    SER  17           HN       SER  17  59.852  -1.777 -16.048
   98    HA   SER  17           HA       SER  17  57.624  -2.779 -14.494
   99    HB2  SER  17           HB2      SER  17  56.762  -2.528 -16.881
  100    HB3  SER  17           HB1      SER  17  57.911  -3.787 -17.325
  101    HG   SER  17           HG       SER  17  55.549  -3.936 -15.913
  102    H    GLU  18           HN       GLU  18  59.871  -4.053 -16.963
  103    HA   GLU  18           HA       GLU  18  61.239  -5.919 -16.889
  104    HB2  GLU  18           HB2      GLU  18  62.420  -3.991 -15.609
  105    HB3  GLU  18           HB1      GLU  18  62.048  -4.937 -14.166
  106    HG2  GLU  18           HG2      GLU  18  63.063  -6.919 -15.596
  107    HG3  GLU  18           HG1      GLU  18  63.865  -5.604 -16.453
  108    H    CYS  19           HN       CYS  19  58.767  -6.764 -16.255
  109    HA   CYS  19           HA       CYS  19  59.304  -8.774 -14.176
  110    HB2  CYS  19           HB2      CYS  19  57.396  -8.344 -12.948
  111    HB3  CYS  19           HB1      CYS  19  57.824  -6.706 -13.443
  112    HG   CYS  19           HG       CYS  19  55.228  -7.509 -13.996
  113    H    GLU  20           HN       GLU  20  58.677  -8.236 -17.285
  114    HA   GLU  20           HA       GLU  20  56.576 -10.217 -17.683
  115    HB2  GLU  20           HB2      GLU  20  58.256  -8.957 -19.845
  116    HB3  GLU  20           HB1      GLU  20  56.613  -9.589 -19.957
  117    HG2  GLU  20           HG2      GLU  20  55.857  -7.791 -18.399
  118    HG3  GLU  20           HG1      GLU  20  57.489  -7.124 -18.425
  119    H    TYR  21           HN       TYR  21  58.183 -11.722 -16.445
  120    HA   TYR  21           HA       TYR  21  59.579 -13.297 -18.501
  121    HB2  TYR  21           HB2      TYR  21  60.846 -11.844 -16.344
  122    HB3  TYR  21           HB1      TYR  21  61.122 -13.578 -16.173
  123    HD1  TYR  21           HD1      TYR  21  61.602 -10.638 -18.351
  124    HD2  TYR  21           HD2      TYR  21  62.367 -14.834 -17.842
  125    HE1  TYR  21           HE1      TYR  21  63.274 -10.555 -20.181
  126    HE2  TYR  21           HE2      TYR  21  64.039 -14.751 -19.672
  127    HH   TYR  21           HH       TYR  21  64.675 -13.445 -21.522
  128    H    THR  22           HN       THR  22  59.122 -13.406 -14.959
  129    HA   THR  22           HA       THR  22  57.261 -15.574 -15.072
  130    HB   THR  22           HB       THR  22  59.915 -16.377 -13.917
  131    HG1  THR  22           HG1      THR  22  59.035 -16.710 -16.593
  132   HG21  THR  22          HG21      THR  22  57.579 -17.902 -15.103
  133   HG22  THR  22          HG22      THR  22  57.891 -17.684 -13.381
  134   HG23  THR  22          HG23      THR  22  59.010 -18.624 -14.368
  135    H    ASP  23           HN       ASP  23  57.377 -13.044 -13.801
  136    HA   ASP  23           HA       ASP  23  57.100 -13.909 -11.010
  137    HB2  ASP  23           HB2      ASP  23  58.446 -12.198 -10.117
  138    HB3  ASP  23           HB1      ASP  23  59.398 -12.834 -11.456
  139    H    TRP  24           HN       TRP  24  55.566 -12.798 -13.532
  140    HA   TRP  24           HA       TRP  24  54.156 -10.591 -12.183
  141    HB2  TRP  24           HB2      TRP  24  53.231 -10.060 -14.356
  142    HB3  TRP  24           HB1      TRP  24  54.977 -10.244 -14.516
  143    HD1  TRP  24           HD1      TRP  24  55.793 -12.786 -15.333
  144    HE1  TRP  24           HE1      TRP  24  54.705 -14.310 -17.107
  145    HE3  TRP  24           HE3      TRP  24  51.120 -10.734 -15.515
  146    HZ2  TRP  24           HZ2      TRP  24  52.187 -14.617 -18.427
  147    HZ3  TRP  24           HZ3      TRP  24  49.399 -11.661 -17.037
  148    HH2  TRP  24           HH2      TRP  24  49.926 -13.599 -18.492
  149    H    LYS  25           HN       LYS  25  53.971 -13.810 -12.189
  150    HA   LYS  25           HA       LYS  25  51.101 -13.782 -11.664
  151    HB2  LYS  25           HB2      LYS  25  51.022 -16.008 -13.073
  152    HB3  LYS  25           HB1      LYS  25  50.819 -14.445 -13.865
  153    HG2  LYS  25           HG2      LYS  25  52.435 -15.910 -15.067
  154    HG3  LYS  25           HG1      LYS  25  53.183 -14.418 -14.496
  155    HD2  LYS  25           HD2      LYS  25  54.269 -15.522 -12.696
  156    HD3  LYS  25           HD1      LYS  25  53.250 -16.954 -12.855
  157    HE2  LYS  25           HE2      LYS  25  55.729 -16.880 -13.858
  158    HE3  LYS  25           HE1      LYS  25  54.432 -17.768 -14.657
  159    HZ1  LYS  25           HZ1      LYS  25  55.107 -14.942 -15.256
  160    HZ2  LYS  25           HZ2      LYS  25  54.039 -15.948 -16.112
  161    HZ3  LYS  25           HZ3      LYS  25  55.709 -16.260 -16.137
  162    H    SER  26           HN       SER  26  53.889 -14.315 -10.417
  163    HA   SER  26           HA       SER  26  53.032 -16.721  -8.951
  164    HB2  SER  26           HB2      SER  26  55.688 -16.268 -10.292
  165    HB3  SER  26           HB1      SER  26  55.541 -17.334  -8.898
  166    HG   SER  26           HG       SER  26  53.699 -17.608 -10.979
  167    H    SER  27           HN       SER  27  55.117 -13.869  -9.102
  168    HA   SER  27           HA       SER  27  55.777 -13.985  -6.289
  169    HB2  SER  27           HB2      SER  27  57.158 -12.158  -6.694
  170    HB3  SER  27           HB1      SER  27  57.143 -12.947  -8.269
  171    HG   SER  27           HG       SER  27  55.272 -10.950  -7.543
  172    H    GLY  28           HN       GLY  28  52.912 -13.775  -7.239
  173    HA2  GLY  28           HA2      GLY  28  52.151 -11.620  -5.398
  174    HA3  GLY  28           HA1      GLY  28  51.504 -11.567  -7.035
  175    H    ALA  29           HN       ALA  29  52.092 -14.423  -5.022
  176    HA   ALA  29           HA       ALA  29  49.185 -14.828  -4.767
  177    HB1  ALA  29           HB1      ALA  29  50.124 -17.383  -5.167
  178    HB2  ALA  29           HB2      ALA  29  51.070 -16.446  -6.324
  179    HB3  ALA  29           HB3      ALA  29  49.308 -16.399  -6.382
  180    H    LEU  30           HN       LEU  30  52.255 -14.810  -3.407
  181    HA   LEU  30           HA       LEU  30  51.213 -16.029  -0.945
  182    HB2  LEU  30           HB2      LEU  30  53.564 -17.088  -0.693
  183    HB3  LEU  30           HB1      LEU  30  52.403 -17.884  -1.756
  184    HG   LEU  30           HG       LEU  30  54.041 -15.788  -3.048
  185   HD11  LEU  30          HD11      LEU  30  55.733 -16.787  -1.573
  186   HD12  LEU  30          HD12      LEU  30  56.012 -17.287  -3.241
  187   HD13  LEU  30          HD13      LEU  30  55.260 -18.401  -2.100
  188   HD21  LEU  30          HD21      LEU  30  54.051 -17.419  -4.852
  189   HD22  LEU  30          HD22      LEU  30  52.417 -17.328  -4.194
  190   HD23  LEU  30          HD23      LEU  30  53.466 -18.680  -3.766
  191    H    ILE  31           HN       ILE  31  52.992 -13.647  -2.569
  192    HA   ILE  31           HA       ILE  31  54.567 -12.818  -0.280
  193    HB   ILE  31           HB       ILE  31  54.161 -11.077  -2.679
  194   HG12  ILE  31          HG12      ILE  31  54.439 -13.320  -3.643
  195   HG13  ILE  31          HG11      ILE  31  55.909 -12.379  -3.875
  196   HG21  ILE  31          HG21      ILE  31  56.538 -10.602  -2.266
  197   HG22  ILE  31          HG22      ILE  31  56.560 -11.803  -0.975
  198   HG23  ILE  31          HG23      ILE  31  55.584 -10.344  -0.806
  199   HD11  ILE  31          HD11      ILE  31  56.490 -14.631  -3.122
  200   HD12  ILE  31          HD12      ILE  31  55.445 -14.461  -1.714
  201   HD13  ILE  31          HD13      ILE  31  56.895 -13.470  -1.861
  202    HA   PRO  32           HA       PRO  32  51.275  -9.415  -0.150
  203    HB2  PRO  32           HB2      PRO  32  48.990  -9.674  -1.584
  204    HB3  PRO  32           HB1      PRO  32  50.486  -9.034  -2.287
  205    HG2  PRO  32           HG2      PRO  32  49.191 -11.642  -2.687
  206    HG3  PRO  32           HG1      PRO  32  50.287 -10.748  -3.747
  207    HD2  PRO  32           HD2      PRO  32  50.941 -12.938  -2.018
  208    HD3  PRO  32           HD1      PRO  32  52.056 -11.982  -3.016
  209    H    ALA  33           HN       ALA  33  50.997 -12.529   0.601
  210    HA   ALA  33           HA       ALA  33  48.395 -12.315   1.973
  211    HB1  ALA  33           HB1      ALA  33  49.642 -14.887   2.272
  212    HB2  ALA  33           HB2      ALA  33  49.651 -14.423   0.571
  213    HB3  ALA  33           HB3      ALA  33  48.129 -14.479   1.462
  214    H    ILE  34           HN       ILE  34  51.790 -12.299   2.479
  215    HA   ILE  34           HA       ILE  34  51.450 -12.756   5.374
  216    HB   ILE  34           HB       ILE  34  53.883 -13.063   5.429
  217   HG12  ILE  34          HG12      ILE  34  53.595 -12.240   2.547
  218   HG13  ILE  34          HG11      ILE  34  54.765 -11.686   3.747
  219   HG21  ILE  34          HG21      ILE  34  52.166 -14.898   4.730
  220   HG22  ILE  34          HG22      ILE  34  53.882 -15.208   4.466
  221   HG23  ILE  34          HG23      ILE  34  52.860 -14.705   3.119
  222   HD11  ILE  34          HD11      ILE  34  54.727 -14.271   2.207
  223   HD12  ILE  34          HD12      ILE  34  55.581 -14.160   3.745
  224   HD13  ILE  34          HD13      ILE  34  56.048 -13.118   2.401
  225    H    TYR  35           HN       TYR  35  52.927 -10.537   3.024
  226    HA   TYR  35           HA       TYR  35  53.716  -8.625   5.014
  227    HB2  TYR  35           HB2      TYR  35  53.621  -8.666   2.016
  228    HB3  TYR  35           HB1      TYR  35  53.889  -7.143   2.865
  229    HD1  TYR  35           HD1      TYR  35  55.762  -7.069   4.633
  230    HD2  TYR  35           HD2      TYR  35  55.394 -10.188   1.702
  231    HE1  TYR  35           HE1      TYR  35  58.140  -7.680   4.985
  232    HE2  TYR  35           HE2      TYR  35  57.772 -10.799   2.054
  233    HH   TYR  35           HH       TYR  35  59.693 -10.218   3.034
  234    H    MET  36           HN       MET  36  50.802  -9.520   4.689
  235    HA   MET  36           HA       MET  36  49.672  -6.799   4.803
  236    HB2  MET  36           HB2      MET  36  48.277  -9.108   3.438
  237    HB3  MET  36           HB1      MET  36  47.774  -7.418   3.479
  238    HG2  MET  36           HG2      MET  36  50.311  -8.456   2.180
  239    HG3  MET  36           HG1      MET  36  48.845  -7.985   1.321
  240    HE1  MET  36           HE1      MET  36  52.220  -6.332   1.344
  241    HE2  MET  36           HE2      MET  36  51.220  -5.345   0.282
  242    HE3  MET  36           HE3      MET  36  51.019  -7.095   0.292
  243    H    LEU  37           HN       LEU  37  48.989 -10.257   5.352
  244    HA   LEU  37           HA       LEU  37  46.916  -9.880   7.224
  245    HB2  LEU  37           HB2      LEU  37  48.724 -12.128   6.467
  246    HB3  LEU  37           HB1      LEU  37  47.848 -12.256   7.994
  247    HG   LEU  37           HG       LEU  37  45.722 -11.867   6.837
  248   HD11  LEU  37          HD11      LEU  37  47.582 -11.310   4.566
  249   HD12  LEU  37          HD12      LEU  37  46.075 -10.506   5.005
  250   HD13  LEU  37          HD13      LEU  37  46.036 -12.069   4.190
  251   HD21  LEU  37          HD21      LEU  37  47.467 -14.119   6.427
  252   HD22  LEU  37          HD22      LEU  37  46.469 -13.895   4.990
  253   HD23  LEU  37          HD23      LEU  37  45.709 -14.105   6.569
  254    H    VAL  38           HN       VAL  38  50.019  -8.873   7.489
  255    HA   VAL  38           HA       VAL  38  49.885  -8.915  10.431
  256    HB   VAL  38           HB       VAL  38  52.538  -9.233   9.075
  257   HG11  VAL  38          HG11      VAL  38  51.910  -8.791  11.633
  258   HG12  VAL  38          HG12      VAL  38  53.256  -9.840  11.185
  259   HG13  VAL  38          HG13      VAL  38  51.699 -10.542  11.627
  260   HG21  VAL  38          HG21      VAL  38  50.551 -11.440   9.701
  261   HG22  VAL  38          HG22      VAL  38  52.264 -11.716   9.380
  262   HG23  VAL  38          HG23      VAL  38  51.228 -11.044   8.121
  263    H    PHE  39           HN       PHE  39  51.746  -7.626   7.669
  264    HA   PHE  39           HA       PHE  39  52.790  -5.359   8.864
  265    HB2  PHE  39           HB2      PHE  39  52.634  -6.377   6.267
  266    HB3  PHE  39           HB1      PHE  39  51.884  -4.783   6.168
  267    HD1  PHE  39           HD2      PHE  39  54.936  -6.589   7.315
  268    HD2  PHE  39           HD1      PHE  39  53.184  -2.799   6.303
  269    HE1  PHE  39           HE2      PHE  39  57.174  -5.526   7.418
  270    HE2  PHE  39           HE1      PHE  39  55.423  -1.737   6.405
  271    HZ   PHE  39           HZ       PHE  39  57.418  -3.100   6.963
  272    H    LEU  40           HN       LEU  40  49.671  -5.678   7.166
  273    HA   LEU  40           HA       LEU  40  48.864  -3.049   8.204
  274    HB2  LEU  40           HB2      LEU  40  47.815  -4.847   6.029
  275    HB3  LEU  40           HB1      LEU  40  46.840  -3.525   6.672
  276    HG   LEU  40           HG       LEU  40  49.634  -2.819   5.998
  277   HD11  LEU  40          HD11      LEU  40  49.212  -4.258   4.107
  278   HD12  LEU  40          HD12      LEU  40  49.004  -2.595   3.559
  279   HD13  LEU  40          HD13      LEU  40  47.592  -3.595   3.898
  280   HD21  LEU  40          HD21      LEU  40  48.555  -0.786   5.226
  281   HD22  LEU  40          HD22      LEU  40  47.835  -1.234   6.772
  282   HD23  LEU  40          HD23      LEU  40  46.971  -1.560   5.269
  283    H    LEU  41           HN       LEU  41  49.004  -4.624  10.296
  284    HA   LEU  41           HA       LEU  41  46.362  -4.751  11.293
  285    HB2  LEU  41           HB2      LEU  41  46.061  -6.727   9.967
  286    HB3  LEU  41           HB1      LEU  41  47.619  -7.376  10.471
  287    HG   LEU  41           HG       LEU  41  46.835  -7.726  12.723
  288   HD11  LEU  41          HD11      LEU  41  44.356  -7.140  13.194
  289   HD12  LEU  41          HD12      LEU  41  44.488  -6.066  11.801
  290   HD13  LEU  41          HD13      LEU  41  45.522  -5.817  13.208
  291   HD21  LEU  41          HD21      LEU  41  44.700  -8.533  10.724
  292   HD22  LEU  41          HD22      LEU  41  44.904  -9.238  12.328
  293   HD23  LEU  41          HD23      LEU  41  46.160  -9.446  11.107
  294    H    GLY  42           HN       GLY  42  49.297  -6.747  11.718
  295    HA2  GLY  42           HA2      GLY  42  49.318  -6.906  14.468
  296    HA3  GLY  42           HA1      GLY  42  50.777  -6.900  13.481
  297    H    THR  43           HN       THR  43  49.786  -4.120  12.530
  298    HA   THR  43           HA       THR  43  50.459  -2.565  14.939
  299    HB   THR  43           HB       THR  43  52.581  -2.698  13.902
  300    HG1  THR  43           HG1      THR  43  52.726  -0.624  13.990
  301   HG21  THR  43          HG21      THR  43  52.493  -3.559  11.800
  302   HG22  THR  43          HG22      THR  43  52.452  -1.867  11.302
  303   HG23  THR  43          HG23      THR  43  50.951  -2.781  11.444
  304    H    THR  44           HN       THR  44  50.631  -0.985  11.915
  305    HA   THR  44           HA       THR  44  49.287   0.559  10.874
  306    HB   THR  44           HB       THR  44  47.076  -0.026  10.487
  307    HG1  THR  44           HG1      THR  44  46.022  -1.403  12.201
  308   HG21  THR  44          HG21      THR  44  48.862  -2.010  10.365
  309   HG22  THR  44          HG22      THR  44  47.157  -2.274   9.998
  310   HG23  THR  44          HG23      THR  44  47.795  -2.702  11.586
  311    H    GLY  45           HN       GLY  45  49.627   0.292  14.130
  312    HA2  GLY  45           HA2      GLY  45  49.649   2.074  15.659
  313    HA3  GLY  45           HA1      GLY  45  48.630   3.002  14.561
  314    H    ASN  46           HN       ASN  46  47.803  -0.280  15.347
  315    HA   ASN  46           HA       ASN  46  45.791   0.626  17.299
  316    HB2  ASN  46           HB2      ASN  46  45.220  -1.136  14.904
  317    HB3  ASN  46           HB1      ASN  46  44.076  -0.753  16.191
  318   HD21  ASN  46          HD21      ASN  46  46.345   1.168  14.123
  319   HD22  ASN  46          HD22      ASN  46  45.196   2.352  13.727
  320    H    GLY  47           HN       GLY  47  48.342  -1.280  16.740
  321    HA2  GLY  47           HA2      GLY  47  47.293  -3.612  18.217
  322    HA3  GLY  47           HA1      GLY  47  48.770  -3.595  17.258
  323    H    LEU  48           HN       LEU  48  49.287  -0.827  18.498
  324    HA   LEU  48           HA       LEU  48  50.303  -1.791  21.107
  325    HB2  LEU  48           HB2      LEU  48  51.895   0.376  20.200
  326    HB3  LEU  48           HB1      LEU  48  52.381  -1.300  20.432
  327    HG   LEU  48           HG       LEU  48  51.047  -0.247  17.917
  328   HD11  LEU  48          HD11      LEU  48  53.493  -0.815  17.072
  329   HD12  LEU  48          HD12      LEU  48  53.914  -0.489  18.753
  330   HD13  LEU  48          HD13      LEU  48  53.133   0.758  17.781
  331   HD21  LEU  48          HD21      LEU  48  51.550  -2.885  18.937
  332   HD22  LEU  48          HD22      LEU  48  52.591  -2.619  17.540
  333   HD23  LEU  48          HD23      LEU  48  50.845  -2.431  17.386
  334    H    VAL  49           HN       VAL  49  47.889  -0.125  20.069
  335    HA   VAL  49           HA       VAL  49  48.353   2.317  21.651
  336    HB   VAL  49           HB       VAL  49  46.265   1.578  19.598
  337   HG11  VAL  49          HG11      VAL  49  45.001   2.815  21.151
  338   HG12  VAL  49          HG12      VAL  49  45.578   4.053  20.034
  339   HG13  VAL  49          HG13      VAL  49  46.372   3.833  21.594
  340   HG21  VAL  49          HG21      VAL  49  47.221   3.605  18.478
  341   HG22  VAL  49          HG22      VAL  49  48.405   2.315  18.687
  342   HG23  VAL  49          HG23      VAL  49  48.419   3.710  19.766
  343    H    LEU  50           HN       LEU  50  45.645   0.047  21.093
  344    HA   LEU  50           HA       LEU  50  44.716   0.569  23.828
  345    HB2  LEU  50           HB2      LEU  50  42.661  -0.594  23.111
  346    HB3  LEU  50           HB1      LEU  50  43.056   0.749  22.038
  347    HG   LEU  50           HG       LEU  50  44.432  -1.353  20.892
  348   HD11  LEU  50          HD11      LEU  50  43.307  -2.944  22.419
  349   HD12  LEU  50          HD12      LEU  50  42.811  -3.203  20.746
  350   HD13  LEU  50          HD13      LEU  50  41.738  -2.359  21.863
  351   HD21  LEU  50          HD21      LEU  50  43.099   0.340  19.710
  352   HD22  LEU  50          HD22      LEU  50  41.612  -0.380  20.327
  353   HD23  LEU  50          HD23      LEU  50  42.620  -1.276  19.191
  354    H    TRP  51           HN       TRP  51  45.860  -2.050  21.756
  355    HA   TRP  51           HA       TRP  51  45.351  -4.148  23.622
  356    HB2  TRP  51           HB2      TRP  51  45.614  -4.835  21.382
  357    HB3  TRP  51           HB1      TRP  51  47.098  -3.906  21.181
  358    HD1  TRP  51           HD1      TRP  51  49.335  -5.010  21.878
  359    HE1  TRP  51           HE1      TRP  51  49.981  -7.336  22.783
  360    HE3  TRP  51           HE3      TRP  51  44.697  -6.858  22.952
  361    HZ2  TRP  51           HZ2      TRP  51  48.699  -9.671  23.824
  362    HZ3  TRP  51           HZ3      TRP  51  44.439  -9.134  23.898
  363    HH2  TRP  51           HH2      TRP  51  46.432 -10.542  24.335
  364    H    THR  52           HN       THR  52  47.689  -1.677  23.478
  365    HA   THR  52           HA       THR  52  49.794  -3.093  24.856
  366    HB   THR  52           HB       THR  52  49.996  -1.019  23.301
  367    HG1  THR  52           HG1      THR  52  51.715  -1.916  24.489
  368   HG21  THR  52          HG21      THR  52  48.291   0.210  24.827
  369   HG22  THR  52          HG22      THR  52  49.700   1.105  24.262
  370   HG23  THR  52          HG23      THR  52  49.666   0.459  25.902
  371    H    VAL  53           HN       VAL  53  46.970  -1.281  25.726
  372    HA   VAL  53           HA       VAL  53  47.829  -0.819  28.461
  373    HB   VAL  53           HB       VAL  53  44.988  -0.549  27.544
  374   HG11  VAL  53          HG11      VAL  53  45.616  -0.069  29.889
  375   HG12  VAL  53          HG12      VAL  53  45.084   1.393  29.057
  376   HG13  VAL  53          HG13      VAL  53  46.803   1.108  29.324
  377   HG21  VAL  53          HG21      VAL  53  47.342   1.181  26.753
  378   HG22  VAL  53          HG22      VAL  53  45.686   1.790  26.766
  379   HG23  VAL  53          HG23      VAL  53  46.127   0.456  25.700
  380    H    PHE  54           HN       PHE  54  47.059  -3.537  26.918
  381    HA   PHE  54           HA       PHE  54  45.893  -4.742  29.338
  382    HB2  PHE  54           HB2      PHE  54  44.606  -4.500  26.741
  383    HB3  PHE  54           HB1      PHE  54  44.772  -6.185  27.235
  384    HD1  PHE  54           HD1      PHE  54  43.806  -6.971  29.384
  385    HD2  PHE  54           HD2      PHE  54  43.172  -2.975  27.940
  386    HE1  PHE  54           HE1      PHE  54  41.935  -6.688  30.988
  387    HE2  PHE  54           HE2      PHE  54  41.302  -2.692  29.544
  388    HZ   PHE  54           HZ       PHE  54  40.684  -4.548  31.068
  389    H    ARG  55           HN       ARG  55  48.398  -4.651  27.284
  390    HA   ARG  55           HA       ARG  55  48.829  -7.564  27.207
  391    HB2  ARG  55           HB2      ARG  55  49.138  -6.385  25.083
  392    HB3  ARG  55           HB1      ARG  55  50.321  -5.315  25.835
  393    HG2  ARG  55           HG2      ARG  55  50.944  -8.126  26.304
  394    HG3  ARG  55           HG1      ARG  55  50.877  -7.741  24.584
  395    HD2  ARG  55           HD2      ARG  55  52.479  -5.957  24.849
  396    HD3  ARG  55           HD1      ARG  55  52.429  -6.105  26.603
  397    HE   ARG  55           HE       ARG  55  53.203  -8.593  25.613
  398   HH11  ARG  55          HH21      ARG  55  54.310  -5.314  25.600
  399   HH12  ARG  55          HH22      ARG  55  55.988  -5.735  25.522
  400   HH21  ARG  55          HH11      ARG  55  55.403  -9.153  25.511
  401   HH22  ARG  55          HH12      ARG  55  56.607  -7.909  25.471
  402    H    LYS  56           HN       LYS  56  50.742  -4.618  27.868
  403    HA   LYS  56           HA       LYS  56  52.880  -5.840  29.158
  404    HB2  LYS  56           HB2      LYS  56  51.664  -3.106  29.286
  405    HB3  LYS  56           HB1      LYS  56  52.933  -3.538  30.434
  406    HG2  LYS  56           HG2      LYS  56  54.510  -3.945  28.712
  407    HG3  LYS  56           HG1      LYS  56  53.258  -4.018  27.471
  408    HD2  LYS  56           HD2      LYS  56  53.353  -1.481  28.983
  409    HD3  LYS  56           HD1      LYS  56  54.771  -1.801  27.983
  410    HE2  LYS  56           HE2      LYS  56  53.388  -2.094  26.012
  411    HE3  LYS  56           HE1      LYS  56  51.917  -1.977  26.978
  412    HZ1  LYS  56           HZ1      LYS  56  53.904   0.152  26.432
  413    HZ2  LYS  56           HZ2      LYS  56  52.717   0.289  27.641
  414    HZ3  LYS  56           HZ3      LYS  56  52.261   0.129  26.011
  415    H    LYS  57           HN       LYS  57  49.849  -4.599  30.545
  416    HA   LYS  57           HA       LYS  57  50.361  -5.030  33.239
  417    HB2  LYS  57           HB2      LYS  57  47.709  -5.519  31.868
  418    HB3  LYS  57           HB1      LYS  57  47.971  -5.075  33.555
  419    HG2  LYS  57           HG2      LYS  57  49.081  -2.955  32.725
  420    HG3  LYS  57           HG1      LYS  57  48.521  -3.381  31.106
  421    HD2  LYS  57           HD2      LYS  57  46.210  -3.320  31.819
  422    HD3  LYS  57           HD1      LYS  57  46.689  -3.105  33.503
  423    HE2  LYS  57           HE2      LYS  57  45.998  -1.013  32.040
  424    HE3  LYS  57           HE1      LYS  57  47.336  -0.897  33.183
  425    HZ1  LYS  57           HZ1      LYS  57  47.731  -0.077  30.825
  426    HZ2  LYS  57           HZ2      LYS  57  47.768  -1.715  30.377
  427    HZ3  LYS  57           HZ3      LYS  57  48.899  -1.110  31.491
  428    H    GLY  58           HN       GLY  58  49.583  -7.325  30.718
  429    HA2  GLY  58           HA2      GLY  58  49.390  -9.505  32.690
  430    HA3  GLY  58           HA1      GLY  58  48.898  -9.600  31.001
  431    H    HIS  59           HN       HIS  59  50.771  -9.223  29.409
  432    HA   HIS  59           HA       HIS  59  52.837  -9.814  28.578
  433    HB2  HIS  59           HB2      HIS  59  53.439  -8.858  31.063
  434    HB3  HIS  59           HB1      HIS  59  54.044 -10.512  31.174
  435    HD2  HIS  59           HD2      HIS  59  54.324  -7.895  28.163
  436    HE1  HIS  59           HE1      HIS  59  58.129  -9.545  28.953
  437    HE2  HIS  59           HE2      HIS  59  56.837  -7.951  27.457
  438    H    HIS  60           HN       HIS  60  51.628 -11.777  31.265
  439    HA   HIS  60           HA       HIS  60  52.887 -14.192  30.312
  440    HB2  HIS  60           HB2      HIS  60  52.132 -15.160  32.248
  441    HB3  HIS  60           HB1      HIS  60  52.040 -13.470  32.744
  442    HD2  HIS  60           HD2      HIS  60  49.212 -12.569  31.426
  443    HE1  HIS  60           HE1      HIS  60  47.567 -15.974  33.304
  444    HE2  HIS  60           HE2      HIS  60  47.018 -13.747  32.212
  445    H    HIS  61           HN       HIS  61  50.672 -12.494  28.835
  446    HA   HIS  61           HA       HIS  61  49.084 -12.968  27.245
  447    HB2  HIS  61           HB2      HIS  61  50.791 -15.128  27.177
  448    HB3  HIS  61           HB1      HIS  61  49.223 -15.889  27.443
  449    HD2  HIS  61           HD2      HIS  61  50.980 -13.633  24.717
  450    HE1  HIS  61           HE1      HIS  61  47.377 -15.130  23.101
  451    HE2  HIS  61           HE2      HIS  61  49.493 -13.826  22.579
  452    H    HIS  62           HN       HIS  62  46.954 -12.846  27.543
  453    HA   HIS  62           HA       HIS  62  45.777 -13.894  29.978
  454    HB2  HIS  62           HB2      HIS  62  44.410 -12.448  27.700
  455    HB3  HIS  62           HB1      HIS  62  43.816 -12.646  29.349
  456    HD2  HIS  62           HD2      HIS  62  46.664 -10.631  27.472
  457    HE1  HIS  62           HE1      HIS  62  46.140  -8.973  31.320
  458    HE2  HIS  62           HE2      HIS  62  47.343  -8.705  29.099
  459    H    HIS  63           HN       HIS  63  46.125 -16.171  29.426
  460    HA   HIS  63           HA       HIS  63  44.489 -17.258  27.266
  461    HB2  HIS  63           HB2      HIS  63  46.649 -18.270  29.037
  462    HB3  HIS  63           HB1      HIS  63  45.456 -19.448  28.487
  463    HD2  HIS  63           HD2      HIS  63  45.049 -18.963  25.434
  464    HE1  HIS  63           HE1      HIS  63  49.204 -18.333  25.036
  465    HE2  HIS  63           HE2      HIS  63  47.058 -18.829  23.772
  466    H    HIS  64           HN       HIS  64  42.413 -16.677  28.108
  467    HA   HIS  64           HA       HIS  64  40.529 -16.911  29.432
  468    HB2  HIS  64           HB2      HIS  64  40.820 -19.095  28.097
  469    HB3  HIS  64           HB1      HIS  64  41.359 -19.800  29.622
  470    HD2  HIS  64           HD2      HIS  64  38.927 -17.663  31.135
  471    HE1  HIS  64           HE1      HIS  64  36.438 -20.630  29.454
  472    HE2  HIS  64           HE2      HIS  64  36.542 -18.726  31.132
  Start of MODEL   22
    1    H1   MET   1           HT1      MET   1  40.892  11.376 -15.677
    2    H2   MET   1           HT2      MET   1  41.825  10.319 -16.624
    3    H3   MET   1           HT3      MET   1  42.404  11.874 -16.258
    4    HA   MET   1           HA       MET   1  41.773  10.008 -14.076
    5    HB2  MET   1           HB2      MET   1  44.416   9.616 -14.321
    6    HB3  MET   1           HB1      MET   1  43.240   8.567 -15.113
    7    HG2  MET   1           HG2      MET   1  45.096   9.417 -16.621
    8    HG3  MET   1           HG1      MET   1  43.462   9.750 -17.194
    9    HE1  MET   1           HE1      MET   1  46.726  12.597 -15.890
   10    HE2  MET   1           HE2      MET   1  46.829  11.194 -16.952
   11    HE3  MET   1           HE3      MET   1  46.481  10.971 -15.239
   12    H    GLU   2           HN       GLU   2  43.599  10.446 -12.380
   13    HA   GLU   2           HA       GLU   2  44.380  13.286 -12.398
   14    HB2  GLU   2           HB2      GLU   2  43.651  13.447 -10.006
   15    HB3  GLU   2           HB1      GLU   2  42.317  13.257 -11.144
   16    HG2  GLU   2           HG2      GLU   2  43.250  10.654 -10.388
   17    HG3  GLU   2           HG1      GLU   2  42.967  11.596  -8.926
   18    H    GLU   3           HN       GLU   3  45.453  10.282 -12.345
   19    HA   GLU   3           HA       GLU   3  47.754  10.965 -10.647
   20    HB2  GLU   3           HB2      GLU   3  46.090   9.484  -9.402
   21    HB3  GLU   3           HB1      GLU   3  46.497   8.223 -10.567
   22    HG2  GLU   3           HG2      GLU   3  48.954   8.696  -9.949
   23    HG3  GLU   3           HG1      GLU   3  48.307   9.568  -8.561
   24    H    GLY   4           HN       GLY   4  48.224  11.356 -13.108
   25    HA2  GLY   4           HA2      GLY   4  48.715   9.117 -14.788
   26    HA3  GLY   4           HA1      GLY   4  49.377  10.735 -15.002
   27    H    GLY   5           HN       GLY   5  50.211  10.034 -11.960
   28    HA2  GLY   5           HA2      GLY   5  52.241   8.106 -12.084
   29    HA3  GLY   5           HA1      GLY   5  52.955   9.658 -12.509
   30    H    ASP   6           HN       ASP   6  53.785   8.290 -10.251
   31    HA   ASP   6           HA       ASP   6  52.481   9.655  -7.990
   32    HB2  ASP   6           HB2      ASP   6  54.064   7.168  -8.309
   33    HB3  ASP   6           HB1      ASP   6  54.325   8.073  -6.819
   34    H    PHE   7           HN       PHE   7  55.858   8.660  -8.432
   35    HA   PHE   7           HA       PHE   7  57.830   9.790  -8.099
   36    HB2  PHE   7           HB2      PHE   7  56.686  11.067 -10.082
   37    HB3  PHE   7           HB1      PHE   7  56.473  12.345  -8.885
   38    HD1  PHE   7           HD1      PHE   7  59.026  10.140 -10.477
   39    HD2  PHE   7           HD2      PHE   7  58.284  13.727  -8.232
   40    HE1  PHE   7           HE1      PHE   7  61.394  10.813 -10.769
   41    HE2  PHE   7           HE2      PHE   7  60.653  14.400  -8.525
   42    HZ   PHE   7           HZ       PHE   7  62.209  12.943  -9.794
   43    H    ASP   8           HN       ASP   8  56.281   9.439  -5.816
   44    HA   ASP   8           HA       ASP   8  57.294  11.592  -4.166
   45    HB2  ASP   8           HB2      ASP   8  54.343  11.153  -4.572
   46    HB3  ASP   8           HB1      ASP   8  54.973  11.866  -3.089
   47    H    ASN   9           HN       ASN   9  58.193   9.082  -4.112
   48    HA   ASN   9           HA       ASN   9  57.134   8.063  -1.561
   49    HB2  ASN   9           HB2      ASN   9  56.287   6.768  -3.638
   50    HB3  ASN   9           HB1      ASN   9  57.938   6.159  -3.744
   51   HD21  ASN   9          HD21      ASN   9  54.953   5.998  -1.894
   52   HD22  ASN   9          HD22      ASN   9  55.460   4.774  -0.833
   53    H    TYR  10           HN       TYR  10  59.749   8.692  -3.706
   54    HA   TYR  10           HA       TYR  10  61.657   8.148  -1.575
   55    HB2  TYR  10           HB2      TYR  10  61.258   6.057  -3.165
   56    HB3  TYR  10           HB1      TYR  10  62.358   6.950  -4.216
   57    HD1  TYR  10           HD2      TYR  10  61.980   5.669  -0.725
   58    HD2  TYR  10           HD1      TYR  10  64.681   6.940  -3.814
   59    HE1  TYR  10           HE2      TYR  10  63.905   4.922   0.650
   60    HE2  TYR  10           HE1      TYR  10  66.605   6.194  -2.439
   61    HH   TYR  10           HH       TYR  10  66.129   4.913   0.846
   62    H    TYR  11           HN       TYR  11  60.520  10.042  -3.986
   63    HA   TYR  11           HA       TYR  11  61.405  11.688  -5.363
   64    HB2  TYR  11           HB2      TYR  11  62.955  13.207  -4.012
   65    HB3  TYR  11           HB1      TYR  11  61.351  12.916  -3.342
   66    HD1  TYR  11           HD2      TYR  11  61.038  11.398  -1.423
   67    HD2  TYR  11           HD1      TYR  11  64.945  12.290  -2.969
   68    HE1  TYR  11           HE2      TYR  11  62.064  10.477   0.638
   69    HE2  TYR  11           HE1      TYR  11  65.971  11.368  -0.908
   70    HH   TYR  11           HH       TYR  11  64.063  10.536   1.879
   71    H    GLY  12           HN       GLY  12  62.657   9.235  -5.880
   72    HA2  GLY  12           HA2      GLY  12  65.145  10.177  -7.022
   73    HA3  GLY  12           HA1      GLY  12  65.346   8.934  -5.790
   74    H    ALA  13           HN       ALA  13  63.300   7.230  -6.208
   75    HA   ALA  13           HA       ALA  13  62.668   6.555  -8.855
   76    HB1  ALA  13           HB1      ALA  13  64.634   5.780  -9.629
   77    HB2  ALA  13           HB2      ALA  13  64.411   4.421  -8.526
   78    HB3  ALA  13           HB3      ALA  13  65.365   5.818  -8.025
   79    H    ASP  14           HN       ASP  14  63.868   4.835  -5.961
   80    HA   ASP  14           HA       ASP  14  62.737   3.462  -4.481
   81    HB2  ASP  14           HB2      ASP  14  60.737   5.055  -5.276
   82    HB3  ASP  14           HB1      ASP  14  60.194   3.554  -6.023
   83    H    ASN  15           HN       ASN  15  63.533   2.930  -7.550
   84    HA   ASN  15           HA       ASN  15  63.687   1.095  -8.928
   85    HB2  ASN  15           HB2      ASN  15  63.319  -0.906  -6.840
   86    HB3  ASN  15           HB1      ASN  15  64.731  -0.572  -7.841
   87   HD21  ASN  15          HD21      ASN  15  65.609   1.881  -7.142
   88   HD22  ASN  15          HD22      ASN  15  65.893   2.004  -5.473
   89    H    GLN  16           HN       GLN  16  61.918   0.990 -10.203
   90    HA   GLN  16           HA       GLN  16  59.493  -0.311  -9.123
   91    HB2  GLN  16           HB2      GLN  16  59.906   1.626 -11.401
   92    HB3  GLN  16           HB1      GLN  16  58.409   0.717 -11.185
   93    HG2  GLN  16           HG2      GLN  16  57.772   1.939  -9.370
   94    HG3  GLN  16           HG1      GLN  16  59.420   2.076  -8.759
   95   HE21  GLN  16          HE21      GLN  16  60.869   3.513 -10.386
   96   HE22  GLN  16          HE22      GLN  16  60.131   4.960 -10.881
   97    H    SER  17           HN       SER  17  62.165  -1.269 -10.538
   98    HA   SER  17           HA       SER  17  60.780  -3.252 -12.228
   99    HB2  SER  17           HB2      SER  17  63.444  -2.052 -12.976
  100    HB3  SER  17           HB1      SER  17  62.399  -3.074 -13.958
  101    HG   SER  17           HG       SER  17  62.431  -0.477 -13.899
  102    H    GLU  18           HN       GLU  18  62.619  -2.714  -9.574
  103    HA   GLU  18           HA       GLU  18  64.720  -4.560  -9.703
  104    HB2  GLU  18           HB2      GLU  18  64.834  -4.399  -7.356
  105    HB3  GLU  18           HB1      GLU  18  64.158  -2.848  -7.858
  106    HG2  GLU  18           HG2      GLU  18  62.736  -5.205  -6.626
  107    HG3  GLU  18           HG1      GLU  18  62.750  -3.527  -6.089
  108    H    CYS  19           HN       CYS  19  61.439  -5.135  -9.982
  109    HA   CYS  19           HA       CYS  19  61.763  -7.963 -10.022
  110    HB2  CYS  19           HB2      CYS  19  61.607  -7.216  -7.485
  111    HB3  CYS  19           HB1      CYS  19  59.882  -7.157  -7.846
  112    HG   CYS  19           HG       CYS  19  61.630  -9.721  -7.861
  113    H    GLU  20           HN       GLU  20  60.815  -6.219 -11.898
  114    HA   GLU  20           HA       GLU  20  57.995  -7.040 -12.088
  115    HB2  GLU  20           HB2      GLU  20  58.822  -4.390 -11.605
  116    HB3  GLU  20           HB1      GLU  20  58.356  -4.455 -13.305
  117    HG2  GLU  20           HG2      GLU  20  56.222  -5.569 -12.629
  118    HG3  GLU  20           HG1      GLU  20  56.680  -5.341 -10.942
  119    H    TYR  21           HN       TYR  21  60.697  -7.775 -13.294
  120    HA   TYR  21           HA       TYR  21  60.171  -7.169 -16.125
  121    HB2  TYR  21           HB2      TYR  21  62.549  -7.572 -14.545
  122    HB3  TYR  21           HB1      TYR  21  62.510  -8.719 -15.884
  123    HD1  TYR  21           HD2      TYR  21  62.008  -5.091 -15.105
  124    HD2  TYR  21           HD1      TYR  21  63.097  -8.024 -18.050
  125    HE1  TYR  21           HE2      TYR  21  62.638  -3.280 -16.677
  126    HE2  TYR  21           HE1      TYR  21  63.727  -6.212 -19.621
  127    HH   TYR  21           HH       TYR  21  63.408  -2.781 -18.691
  128    H    THR  22           HN       THR  22  60.949  -9.957 -14.038
  129    HA   THR  22           HA       THR  22  59.240 -11.631 -15.748
  130    HB   THR  22           HB       THR  22  61.035 -13.449 -15.505
  131    HG1  THR  22           HG1      THR  22  62.859 -12.875 -14.658
  132   HG21  THR  22          HG21      THR  22  60.581 -12.462 -17.655
  133   HG22  THR  22          HG22      THR  22  62.332 -12.494 -17.450
  134   HG23  THR  22          HG23      THR  22  61.445 -10.988 -17.218
  135    H    ASP  23           HN       ASP  23  58.899 -10.455 -13.096
  136    HA   ASP  23           HA       ASP  23  58.466 -12.957 -11.601
  137    HB2  ASP  23           HB2      ASP  23  60.209 -10.742 -10.853
  138    HB3  ASP  23           HB1      ASP  23  58.979 -11.067  -9.634
  139    H    TRP  24           HN       TRP  24  57.101 -10.397 -13.043
  140    HA   TRP  24           HA       TRP  24  55.206  -9.613 -10.997
  141    HB2  TRP  24           HB2      TRP  24  54.260  -8.182 -12.677
  142    HB3  TRP  24           HB1      TRP  24  56.014  -8.086 -12.836
  143    HD1  TRP  24           HD1      TRP  24  57.093  -9.796 -14.754
  144    HE1  TRP  24           HE1      TRP  24  56.148 -10.377 -17.082
  145    HE3  TRP  24           HE3      TRP  24  52.212  -8.445 -14.091
  146    HZ2  TRP  24           HZ2      TRP  24  53.654 -10.282 -18.478
  147    HZ3  TRP  24           HZ3      TRP  24  50.575  -8.701 -15.934
  148    HH2  TRP  24           HH2      TRP  24  51.290  -9.617 -18.125
  149    H    LYS  25           HN       LYS  25  55.550 -12.409 -12.551
  150    HA   LYS  25           HA       LYS  25  52.677 -12.980 -12.438
  151    HB2  LYS  25           HB2      LYS  25  53.119 -14.388 -14.617
  152    HB3  LYS  25           HB1      LYS  25  52.727 -12.674 -14.734
  153    HG2  LYS  25           HG2      LYS  25  54.674 -13.286 -16.155
  154    HG3  LYS  25           HG1      LYS  25  55.105 -12.112 -14.912
  155    HD2  LYS  25           HD2      LYS  25  56.191 -13.747 -13.584
  156    HD3  LYS  25           HD1      LYS  25  55.433 -15.078 -14.460
  157    HE2  LYS  25           HE2      LYS  25  56.714 -14.514 -16.473
  158    HE3  LYS  25           HE1      LYS  25  57.438 -13.136 -15.644
  159    HZ1  LYS  25           HZ1      LYS  25  58.500 -15.604 -15.726
  160    HZ2  LYS  25           HZ2      LYS  25  57.689 -15.638 -14.233
  161    HZ3  LYS  25           HZ3      LYS  25  58.855 -14.442 -14.542
  162    H    SER  26           HN       SER  26  55.384 -13.638 -11.082
  163    HA   SER  26           HA       SER  26  54.790 -16.492 -10.764
  164    HB2  SER  26           HB2      SER  26  57.124 -17.137 -11.019
  165    HB3  SER  26           HB1      SER  26  56.572 -16.338 -12.489
  166    HG   SER  26           HG       SER  26  58.047 -14.892 -12.156
  167    H    SER  27           HN       SER  27  57.834 -15.578  -9.630
  168    HA   SER  27           HA       SER  27  57.030 -15.808  -6.893
  169    HB2  SER  27           HB2      SER  27  59.213 -16.597  -7.486
  170    HB3  SER  27           HB1      SER  27  59.643 -15.049  -8.208
  171    HG   SER  27           HG       SER  27  60.478 -15.312  -6.078
  172    H    GLY  28           HN       GLY  28  55.590 -13.725  -8.079
  173    HA2  GLY  28           HA2      GLY  28  56.074 -11.610  -6.220
  174    HA3  GLY  28           HA1      GLY  28  56.550 -11.143  -7.849
  175    H    ALA  29           HN       ALA  29  53.912 -13.350  -7.135
  176    HA   ALA  29           HA       ALA  29  51.941 -11.251  -7.737
  177    HB1  ALA  29           HB1      ALA  29  52.758 -12.909  -9.723
  178    HB2  ALA  29           HB2      ALA  29  51.135 -12.225  -9.626
  179    HB3  ALA  29           HB3      ALA  29  51.441 -13.859  -9.036
  180    H    LEU  30           HN       LEU  30  52.882 -14.119  -6.128
  181    HA   LEU  30           HA       LEU  30  50.171 -14.456  -4.993
  182    HB2  LEU  30           HB2      LEU  30  52.441 -16.453  -4.948
  183    HB3  LEU  30           HB1      LEU  30  50.759 -16.735  -4.496
  184    HG   LEU  30           HG       LEU  30  50.468 -15.753  -7.033
  185   HD11  LEU  30          HD11      LEU  30  52.919 -17.534  -7.081
  186   HD12  LEU  30          HD12      LEU  30  52.978 -15.782  -7.269
  187   HD13  LEU  30          HD13      LEU  30  52.135 -16.769  -8.462
  188   HD21  LEU  30          HD21      LEU  30  50.112 -18.126  -7.676
  189   HD22  LEU  30          HD22      LEU  30  49.388 -17.760  -6.111
  190   HD23  LEU  30          HD23      LEU  30  50.917 -18.635  -6.191
  191    H    ILE  31           HN       ILE  31  53.551 -13.901  -4.294
  192    HA   ILE  31           HA       ILE  31  53.292 -14.241  -1.454
  193    HB   ILE  31           HB       ILE  31  55.438 -13.522  -3.349
  194   HG12  ILE  31          HG12      ILE  31  56.692 -15.032  -1.898
  195   HG13  ILE  31          HG11      ILE  31  55.390 -15.006  -0.708
  196   HG21  ILE  31          HG21      ILE  31  56.861 -12.658  -1.434
  197   HG22  ILE  31          HG22      ILE  31  55.373 -12.433  -0.518
  198   HG23  ILE  31          HG23      ILE  31  55.640 -11.527  -2.012
  199   HD11  ILE  31          HD11      ILE  31  55.605 -16.912  -2.622
  200   HD12  ILE  31          HD12      ILE  31  54.600 -15.738  -3.472
  201   HD13  ILE  31          HD13      ILE  31  54.061 -16.408  -1.932
  202    HA   PRO  32           HA       PRO  32  52.981  -9.514  -1.439
  203    HB2  PRO  32           HB2      PRO  32  52.546  -8.159  -3.740
  204    HB3  PRO  32           HB1      PRO  32  54.167  -8.672  -3.236
  205    HG2  PRO  32           HG2      PRO  32  52.420  -9.760  -5.344
  206    HG3  PRO  32           HG1      PRO  32  54.185  -9.767  -5.217
  207    HD2  PRO  32           HD2      PRO  32  52.412 -11.914  -4.604
  208    HD3  PRO  32           HD1      PRO  32  54.165 -11.862  -4.331
  209    H    ALA  33           HN       ALA  33  50.843 -11.632  -1.920
  210    HA   ALA  33           HA       ALA  33  48.552  -9.773  -2.030
  211    HB1  ALA  33           HB1      ALA  33  47.943 -10.735  -3.972
  212    HB2  ALA  33           HB2      ALA  33  47.555 -12.164  -3.013
  213    HB3  ALA  33           HB3      ALA  33  49.131 -12.026  -3.794
  214    H    ILE  34           HN       ILE  34  50.262 -11.658  -0.091
  215    HA   ILE  34           HA       ILE  34  47.937 -12.321   1.563
  216    HB   ILE  34           HB       ILE  34  49.635 -14.503   1.927
  217   HG12  ILE  34          HG12      ILE  34  49.163 -14.020  -1.031
  218   HG13  ILE  34          HG11      ILE  34  50.726 -13.839  -0.233
  219   HG21  ILE  34          HG21      ILE  34  47.750 -15.757   0.937
  220   HG22  ILE  34          HG22      ILE  34  47.102 -14.257   0.273
  221   HG23  ILE  34          HG23      ILE  34  47.170 -14.493   2.020
  222   HD11  ILE  34          HD11      ILE  34  49.578 -16.221  -1.259
  223   HD12  ILE  34          HD12      ILE  34  49.581 -16.373   0.498
  224   HD13  ILE  34          HD13      ILE  34  51.088 -16.054  -0.362
  225    H    TYR  35           HN       TYR  35  51.452 -12.116   1.242
  226    HA   TYR  35           HA       TYR  35  51.894 -12.070   4.095
  227    HB2  TYR  35           HB2      TYR  35  53.643 -11.681   1.676
  228    HB3  TYR  35           HB1      TYR  35  54.245 -11.346   3.300
  229    HD1  TYR  35           HD1      TYR  35  53.960 -13.202   5.082
  230    HD2  TYR  35           HD2      TYR  35  53.615 -13.886   0.854
  231    HE1  TYR  35           HE1      TYR  35  54.345 -15.625   5.442
  232    HE2  TYR  35           HE2      TYR  35  54.001 -16.310   1.215
  233    HH   TYR  35           HH       TYR  35  54.420 -17.634   4.498
  234    H    MET  36           HN       MET  36  50.101 -10.036   2.856
  235    HA   MET  36           HA       MET  36  51.424  -7.668   4.005
  236    HB2  MET  36           HB2      MET  36  49.806  -7.581   1.451
  237    HB3  MET  36           HB1      MET  36  50.706  -6.259   2.196
  238    HG2  MET  36           HG2      MET  36  51.930  -8.816   1.117
  239    HG3  MET  36           HG1      MET  36  51.960  -7.250   0.304
  240    HE1  MET  36           HE1      MET  36  54.338  -9.297   1.315
  241    HE2  MET  36           HE2      MET  36  55.592  -8.117   1.687
  242    HE3  MET  36           HE3      MET  36  54.608  -7.919   0.240
  243    H    LEU  37           HN       LEU  37  48.317  -8.419   2.416
  244    HA   LEU  37           HA       LEU  37  46.671  -6.803   3.904
  245    HB2  LEU  37           HB2      LEU  37  46.035  -9.588   2.899
  246    HB3  LEU  37           HB1      LEU  37  44.848  -8.365   3.357
  247    HG   LEU  37           HG       LEU  37  46.848  -7.375   1.454
  248   HD11  LEU  37          HD11      LEU  37  45.699  -8.599  -0.469
  249   HD12  LEU  37          HD12      LEU  37  45.057  -9.709   0.744
  250   HD13  LEU  37          HD13      LEU  37  46.800  -9.572   0.507
  251   HD21  LEU  37          HD21      LEU  37  43.822  -7.527   1.313
  252   HD22  LEU  37          HD22      LEU  37  44.870  -6.433   0.411
  253   HD23  LEU  37          HD23      LEU  37  44.703  -6.255   2.158
  254    H    VAL  38           HN       VAL  38  48.268  -9.709   4.902
  255    HA   VAL  38           HA       VAL  38  46.631  -9.925   7.327
  256    HB   VAL  38           HB       VAL  38  48.959 -11.666   6.503
  257   HG11  VAL  38          HG11      VAL  38  46.727 -12.838   7.977
  258   HG12  VAL  38          HG12      VAL  38  47.470 -11.500   8.854
  259   HG13  VAL  38          HG13      VAL  38  48.451 -12.874   8.345
  260   HG21  VAL  38          HG21      VAL  38  47.260 -13.190   5.555
  261   HG22  VAL  38          HG22      VAL  38  47.251 -11.639   4.716
  262   HG23  VAL  38          HG23      VAL  38  46.002 -12.005   5.906
  263    H    PHE  39           HN       PHE  39  50.069  -9.634   6.419
  264    HA   PHE  39           HA       PHE  39  51.296  -9.402   8.830
  265    HB2  PHE  39           HB2      PHE  39  52.166  -9.018   6.362
  266    HB3  PHE  39           HB1      PHE  39  51.963  -7.320   6.793
  267    HD1  PHE  39           HD1      PHE  39  53.732 -10.460   7.618
  268    HD2  PHE  39           HD2      PHE  39  53.353  -6.268   8.476
  269    HE1  PHE  39           HE1      PHE  39  55.852 -10.531   8.902
  270    HE2  PHE  39           HE2      PHE  39  55.472  -6.340   9.761
  271    HZ   PHE  39           HZ       PHE  39  56.723  -8.471   9.974
  272    H    LEU  40           HN       LEU  40  49.136  -7.087   7.350
  273    HA   LEU  40           HA       LEU  40  49.474  -5.287   9.675
  274    HB2  LEU  40           HB2      LEU  40  48.406  -4.664   6.912
  275    HB3  LEU  40           HB1      LEU  40  48.566  -3.513   8.239
  276    HG   LEU  40           HG       LEU  40  51.066  -4.884   7.890
  277   HD11  LEU  40          HD11      LEU  40  51.625  -4.154   5.618
  278   HD12  LEU  40          HD12      LEU  40  49.996  -3.515   5.402
  279   HD13  LEU  40          HD13      LEU  40  50.247  -5.252   5.568
  280   HD21  LEU  40          HD21      LEU  40  50.250  -2.017   7.313
  281   HD22  LEU  40          HD22      LEU  40  51.889  -2.590   7.624
  282   HD23  LEU  40          HD23      LEU  40  50.678  -2.641   8.906
  283    H    LEU  41           HN       LEU  41  48.036  -6.705  10.887
  284    HA   LEU  41           HA       LEU  41  45.282  -5.860  10.635
  285    HB2  LEU  41           HB2      LEU  41  46.132  -8.409   9.552
  286    HB3  LEU  41           HB1      LEU  41  44.978  -8.639  10.866
  287    HG   LEU  41           HG       LEU  41  44.546  -6.723   8.558
  288   HD11  LEU  41          HD11      LEU  41  42.709  -8.872   8.481
  289   HD12  LEU  41          HD12      LEU  41  44.304  -9.597   8.679
  290   HD13  LEU  41          HD13      LEU  41  43.989  -8.518   7.320
  291   HD21  LEU  41          HD21      LEU  41  43.296  -7.024  11.089
  292   HD22  LEU  41          HD22      LEU  41  42.181  -7.688   9.896
  293   HD23  LEU  41          HD23      LEU  41  42.756  -6.028   9.739
  294    H    GLY  42           HN       GLY  42  47.131  -8.541  12.109
  295    HA2  GLY  42           HA2      GLY  42  45.763  -8.277  14.623
  296    HA3  GLY  42           HA1      GLY  42  47.134  -9.329  14.284
  297    H    THR  43           HN       THR  43  47.247  -5.908  13.603
  298    HA   THR  43           HA       THR  43  48.362  -5.036  16.060
  299    HB   THR  43           HB       THR  43  50.365  -6.125  15.765
  300    HG1  THR  43           HG1      THR  43  50.934  -4.097  13.913
  301   HG21  THR  43          HG21      THR  43  49.619  -6.037  12.864
  302   HG22  THR  43          HG22      THR  43  50.068  -7.420  13.862
  303   HG23  THR  43          HG23      THR  43  51.307  -6.296  13.304
  304    H    THR  44           HN       THR  44  49.775  -4.233  12.943
  305    HA   THR  44           HA       THR  44  49.846  -2.235  11.801
  306    HB   THR  44           HB       THR  44  47.836  -1.698  10.850
  307    HG1  THR  44           HG1      THR  44  46.452  -0.772  12.097
  308   HG21  THR  44          HG21      THR  44  48.049  -4.273  11.241
  309   HG22  THR  44          HG22      THR  44  46.513  -3.619  10.673
  310   HG23  THR  44          HG23      THR  44  46.718  -4.035  12.374
  311    H    GLY  45           HN       GLY  45  49.753  -2.305  14.959
  312    HA2  GLY  45           HA2      GLY  45  50.330  -0.681  16.513
  313    HA3  GLY  45           HA1      GLY  45  50.164   0.537  15.253
  314    H    ASN  46           HN       ASN  46  47.430  -1.327  15.188
  315    HA   ASN  46           HA       ASN  46  45.936   0.685  16.732
  316    HB2  ASN  46           HB2      ASN  46  44.202   0.392  15.281
  317    HB3  ASN  46           HB1      ASN  46  45.491  -0.174  14.220
  318   HD21  ASN  46          HD21      ASN  46  46.011  -2.725  15.313
  319   HD22  ASN  46          HD22      ASN  46  44.628  -3.695  15.146
  320    H    GLY  47           HN       GLY  47  46.891  -2.624  16.748
  321    HA2  GLY  47           HA2      GLY  47  44.818  -3.418  18.651
  322    HA3  GLY  47           HA1      GLY  47  46.048  -4.464  17.951
  323    H    LEU  48           HN       LEU  48  48.271  -2.713  18.543
  324    HA   LEU  48           HA       LEU  48  48.609  -3.417  21.358
  325    HB2  LEU  48           HB2      LEU  48  50.727  -2.079  19.713
  326    HB3  LEU  48           HB1      LEU  48  50.896  -3.286  20.989
  327    HG   LEU  48           HG       LEU  48  49.832  -3.750  18.189
  328   HD11  LEU  48          HD11      LEU  48  52.260  -4.843  19.644
  329   HD12  LEU  48          HD12      LEU  48  52.301  -3.583  18.410
  330   HD13  LEU  48          HD13      LEU  48  51.790  -5.216  17.986
  331   HD21  LEU  48          HD21      LEU  48  48.547  -5.246  19.418
  332   HD22  LEU  48          HD22      LEU  48  49.749  -5.381  20.702
  333   HD23  LEU  48          HD23      LEU  48  50.000  -6.214  19.168
  334    H    VAL  49           HN       VAL  49  50.710  -1.269  21.545
  335    HA   VAL  49           HA       VAL  49  50.906   0.855  22.395
  336    HB   VAL  49           HB       VAL  49  48.316   1.558  21.029
  337   HG11  VAL  49          HG11      VAL  49  50.751   3.248  20.917
  338   HG12  VAL  49          HG12      VAL  49  50.032   3.050  22.515
  339   HG13  VAL  49          HG13      VAL  49  49.071   3.710  21.191
  340   HG21  VAL  49          HG21      VAL  49  50.984   0.849  19.835
  341   HG22  VAL  49          HG22      VAL  49  49.993   2.094  19.074
  342   HG23  VAL  49          HG23      VAL  49  49.366   0.456  19.252
  343    H    LEU  50           HN       LEU  50  47.360   0.518  22.252
  344    HA   LEU  50           HA       LEU  50  46.886   1.637  24.781
  345    HB2  LEU  50           HB2      LEU  50  44.636   0.669  24.585
  346    HB3  LEU  50           HB1      LEU  50  45.141   1.396  23.059
  347    HG   LEU  50           HG       LEU  50  46.079  -1.255  22.967
  348   HD11  LEU  50          HD11      LEU  50  43.210  -1.102  23.945
  349   HD12  LEU  50          HD12      LEU  50  44.565  -1.793  24.838
  350   HD13  LEU  50          HD13      LEU  50  44.011  -2.556  23.348
  351   HD21  LEU  50          HD21      LEU  50  44.367  -1.455  21.170
  352   HD22  LEU  50          HD22      LEU  50  45.263   0.060  21.064
  353   HD23  LEU  50          HD23      LEU  50  43.630   0.046  21.731
  354    H    TRP  51           HN       TRP  51  48.437  -1.205  24.085
  355    HA   TRP  51           HA       TRP  51  47.383  -2.911  26.121
  356    HB2  TRP  51           HB2      TRP  51  49.348  -3.069  24.052
  357    HB3  TRP  51           HB1      TRP  51  50.093  -3.579  25.561
  358    HD1  TRP  51           HD1      TRP  51  48.823  -5.222  22.853
  359    HE1  TRP  51           HE1      TRP  51  47.488  -7.359  23.399
  360    HE3  TRP  51           HE3      TRP  51  47.805  -4.404  27.794
  361    HZ2  TRP  51           HZ2      TRP  51  46.160  -8.557  25.630
  362    HZ3  TRP  51           HZ3      TRP  51  46.507  -6.049  29.098
  363    HH2  TRP  51           HH2      TRP  51  45.684  -8.127  28.026
  364    H    THR  52           HN       THR  52  50.232  -0.800  25.876
  365    HA   THR  52           HA       THR  52  51.544  -1.307  28.219
  366    HB   THR  52           HB       THR  52  52.258   0.358  26.522
  367    HG1  THR  52           HG1      THR  52  52.111   0.944  29.255
  368   HG21  THR  52          HG21      THR  52  49.750   1.383  26.777
  369   HG22  THR  52          HG22      THR  52  51.109   2.279  26.100
  370   HG23  THR  52          HG23      THR  52  50.662   2.500  27.792
  371    H    VAL  53           HN       VAL  53  48.338  -0.236  27.951
  372    HA   VAL  53           HA       VAL  53  48.271   1.095  30.540
  373    HB   VAL  53           HB       VAL  53  46.017   0.357  28.658
  374   HG11  VAL  53          HG11      VAL  53  44.910   2.259  30.003
  375   HG12  VAL  53          HG12      VAL  53  46.197   2.006  31.181
  376   HG13  VAL  53          HG13      VAL  53  45.073   0.698  30.807
  377   HG21  VAL  53          HG21      VAL  53  47.588   2.924  29.050
  378   HG22  VAL  53          HG22      VAL  53  46.117   2.794  28.086
  379   HG23  VAL  53          HG23      VAL  53  47.569   1.917  27.603
  380    H    PHE  54           HN       PHE  54  47.456  -2.015  29.133
  381    HA   PHE  54           HA       PHE  54  46.696  -2.982  31.828
  382    HB2  PHE  54           HB2      PHE  54  45.547  -3.711  29.131
  383    HB3  PHE  54           HB1      PHE  54  45.279  -4.672  30.586
  384    HD1  PHE  54           HD2      PHE  54  44.399  -3.390  32.685
  385    HD2  PHE  54           HD1      PHE  54  44.142  -1.892  28.668
  386    HE1  PHE  54           HE2      PHE  54  42.587  -1.845  33.376
  387    HE2  PHE  54           HE1      PHE  54  42.330  -0.347  29.359
  388    HZ   PHE  54           HZ       PHE  54  41.552  -0.324  31.714
  389    H    ARG  55           HN       ARG  55  49.110  -3.040  29.674
  390    HA   ARG  55           HA       ARG  55  49.634  -5.915  29.719
  391    HB2  ARG  55           HB2      ARG  55  50.124  -4.347  27.739
  392    HB3  ARG  55           HB1      ARG  55  51.502  -3.796  28.682
  393    HG2  ARG  55           HG2      ARG  55  52.512  -5.527  27.553
  394    HG3  ARG  55           HG1      ARG  55  51.894  -6.421  28.944
  395    HD2  ARG  55           HD2      ARG  55  49.719  -6.587  27.389
  396    HD3  ARG  55           HD1      ARG  55  50.922  -6.401  26.116
  397    HE   ARG  55           HE       ARG  55  50.613  -8.666  27.907
  398   HH11  ARG  55          HH21      ARG  55  52.597  -6.933  25.667
  399   HH12  ARG  55          HH22      ARG  55  53.577  -8.302  25.262
  400   HH21  ARG  55          HH11      ARG  55  51.891 -10.471  27.378
  401   HH22  ARG  55          HH12      ARG  55  53.178 -10.304  26.231
  402    H    LYS  56           HN       LYS  56  50.972  -2.911  31.030
  403    HA   LYS  56           HA       LYS  56  53.099  -4.273  32.421
  404    HB2  LYS  56           HB2      LYS  56  52.212  -1.503  33.137
  405    HB3  LYS  56           HB1      LYS  56  53.841  -2.170  33.062
  406    HG2  LYS  56           HG2      LYS  56  52.063  -1.530  30.688
  407    HG3  LYS  56           HG1      LYS  56  53.488  -0.630  31.196
  408    HD2  LYS  56           HD2      LYS  56  54.873  -2.669  30.830
  409    HD3  LYS  56           HD1      LYS  56  53.442  -3.507  30.231
  410    HE2  LYS  56           HE2      LYS  56  53.650  -2.558  28.202
  411    HE3  LYS  56           HE1      LYS  56  53.752  -0.945  28.906
  412    HZ1  LYS  56           HZ1      LYS  56  55.901  -0.938  28.440
  413    HZ2  LYS  56           HZ2      LYS  56  55.813  -2.519  27.823
  414    HZ3  LYS  56           HZ3      LYS  56  56.139  -2.264  29.471
  415    H    LYS  57           HN       LYS  57  50.149  -2.535  33.434
  416    HA   LYS  57           HA       LYS  57  50.353  -3.168  36.177
  417    HB2  LYS  57           HB2      LYS  57  47.683  -2.840  34.866
  418    HB3  LYS  57           HB1      LYS  57  48.265  -2.194  36.401
  419    HG2  LYS  57           HG2      LYS  57  49.968  -0.901  34.832
  420    HG3  LYS  57           HG1      LYS  57  48.713  -1.171  33.622
  421    HD2  LYS  57           HD2      LYS  57  48.352   0.189  36.309
  422    HD3  LYS  57           HD1      LYS  57  48.317   0.970  34.728
  423    HE2  LYS  57           HE2      LYS  57  46.055   0.662  34.993
  424    HE3  LYS  57           HE1      LYS  57  46.447  -0.910  34.296
  425    HZ1  LYS  57           HZ1      LYS  57  46.854  -0.829  37.126
  426    HZ2  LYS  57           HZ2      LYS  57  45.964  -1.934  36.192
  427    HZ3  LYS  57           HZ3      LYS  57  45.250  -0.480  36.704
  428    H    GLY  58           HN       GLY  58  50.060  -5.259  33.681
  429    HA2  GLY  58           HA2      GLY  58  49.649  -7.555  35.143
  430    HA3  GLY  58           HA1      GLY  58  48.038  -7.049  34.643
  431    H    HIS  59           HN       HIS  59  51.032  -8.443  33.647
  432    HA   HIS  59           HA       HIS  59  51.141  -8.243  30.942
  433    HB2  HIS  59           HB2      HIS  59  52.194  -9.993  32.840
  434    HB3  HIS  59           HB1      HIS  59  51.357 -11.041  31.695
  435    HD2  HIS  59           HD2      HIS  59  54.321  -8.426  31.673
  436    HE1  HIS  59           HE1      HIS  59  54.371 -10.544  28.021
  437    HE2  HIS  59           HE2      HIS  59  55.613  -8.846  29.444
  438    H    HIS  60           HN       HIS  60  48.688  -9.869  32.810
  439    HA   HIS  60           HA       HIS  60  47.183 -10.356  30.328
  440    HB2  HIS  60           HB2      HIS  60  47.566 -12.567  30.554
  441    HB3  HIS  60           HB1      HIS  60  48.188 -12.377  32.194
  442    HD2  HIS  60           HD2      HIS  60  46.258 -12.708  34.248
  443    HE1  HIS  60           HE1      HIS  60  43.050 -13.717  31.693
  444    HE2  HIS  60           HE2      HIS  60  43.806 -13.597  34.116
  445    H    HIS  61           HN       HIS  61  46.930 -10.685  33.876
  446    HA   HIS  61           HA       HIS  61  45.152  -8.693  34.432
  447    HB2  HIS  61           HB2      HIS  61  43.393  -9.294  33.088
  448    HB3  HIS  61           HB1      HIS  61  43.823 -11.004  33.107
  449    HD2  HIS  61           HD2      HIS  61  42.926  -8.764  36.276
  450    HE1  HIS  61           HE1      HIS  61  40.310 -12.075  36.131
  451    HE2  HIS  61           HE2      HIS  61  40.983 -10.029  37.478
  452    H    HIS  62           HN       HIS  62  45.766  -8.657  36.508
  453    HA   HIS  62           HA       HIS  62  45.781 -11.170  38.043
  454    HB2  HIS  62           HB2      HIS  62  47.767  -9.494  37.964
  455    HB3  HIS  62           HB1      HIS  62  46.786  -8.529  39.068
  456    HD2  HIS  62           HD2      HIS  62  45.666 -11.564  40.486
  457    HE1  HIS  62           HE1      HIS  62  49.634 -11.510  41.925
  458    HE2  HIS  62           HE2      HIS  62  47.340 -12.555  42.228
  459    H    HIS  63           HN       HIS  63  45.677  -9.251  40.459
  460    HA   HIS  63           HA       HIS  63  42.802  -8.631  40.447
  461    HB2  HIS  63           HB2      HIS  63  44.185 -10.655  42.126
  462    HB3  HIS  63           HB1      HIS  63  43.004  -9.624  42.935
  463    HD2  HIS  63           HD2      HIS  63  42.953 -11.807  39.585
  464    HE1  HIS  63           HE1      HIS  63  39.146 -11.930  41.404
  465    HE2  HIS  63           HE2      HIS  63  40.532 -12.774  39.451
  466    H    HIS  64           HN       HIS  64  43.243  -6.435  40.501
  467    HA   HIS  64           HA       HIS  64  45.147  -5.141  42.087
  468    HB2  HIS  64           HB2      HIS  64  42.438  -3.998  41.392
  469    HB3  HIS  64           HB1      HIS  64  43.950  -3.125  41.642
  470    HD2  HIS  64           HD2      HIS  64  45.839  -5.037  39.643
  471    HE1  HIS  64           HE1      HIS  64  43.080  -3.879  36.665
  472    HE2  HIS  64           HE2      HIS  64  45.386  -4.859  37.077
  Start of MODEL   23
    1    H1   MET   1           HT1      MET   1  52.570  18.468 -13.138
    2    H2   MET   1           HT2      MET   1  51.249  18.887 -14.119
    3    H3   MET   1           HT3      MET   1  51.430  17.289 -13.570
    4    HA   MET   1           HA       MET   1  50.673  19.692 -12.024
    5    HB2  MET   1           HB2      MET   1  49.456  17.004 -12.649
    6    HB3  MET   1           HB1      MET   1  48.907  17.953 -11.268
    7    HG2  MET   1           HG2      MET   1  48.132  19.712 -12.623
    8    HG3  MET   1           HG1      MET   1  49.113  19.206 -13.998
    9    HE1  MET   1           HE1      MET   1  46.085  18.812 -11.849
   10    HE2  MET   1           HE2      MET   1  46.692  17.186 -11.543
   11    HE3  MET   1           HE3      MET   1  45.200  17.405 -12.453
   12    H    GLU   2           HN       GLU   2  50.039  18.811  -9.690
   13    HA   GLU   2           HA       GLU   2  52.124  17.003  -8.677
   14    HB2  GLU   2           HB2      GLU   2  52.446  18.685  -6.762
   15    HB3  GLU   2           HB1      GLU   2  53.197  19.073  -8.310
   16    HG2  GLU   2           HG2      GLU   2  51.866  20.879  -8.634
   17    HG3  GLU   2           HG1      GLU   2  50.428  20.027  -8.075
   18    H    GLU   3           HN       GLU   3  50.037  15.733  -8.658
   19    HA   GLU   3           HA       GLU   3  48.212  16.444  -6.484
   20    HB2  GLU   3           HB2      GLU   3  47.207  14.136  -7.326
   21    HB3  GLU   3           HB1      GLU   3  46.924  15.633  -8.214
   22    HG2  GLU   3           HG2      GLU   3  48.581  15.126  -9.827
   23    HG3  GLU   3           HG1      GLU   3  49.302  13.876  -8.814
   24    H    GLY   4           HN       GLY   4  49.632  16.147  -4.707
   25    HA2  GLY   4           HA2      GLY   4  49.973  14.718  -2.843
   26    HA3  GLY   4           HA1      GLY   4  49.911  13.330  -3.925
   27    H    GLY   5           HN       GLY   5  51.749  15.407  -5.576
   28    HA2  GLY   5           HA2      GLY   5  54.206  14.061  -4.875
   29    HA3  GLY   5           HA1      GLY   5  53.998  15.273  -6.135
   30    H    ASP   6           HN       ASP   6  55.744  16.553  -5.608
   31    HA   ASP   6           HA       ASP   6  56.767  18.341  -4.576
   32    HB2  ASP   6           HB2      ASP   6  54.207  18.783  -3.970
   33    HB3  ASP   6           HB1      ASP   6  54.790  18.407  -2.350
   34    H    PHE   7           HN       PHE   7  57.194  15.496  -3.877
   35    HA   PHE   7           HA       PHE   7  58.535  14.305  -2.443
   36    HB2  PHE   7           HB2      PHE   7  59.109  16.812  -0.893
   37    HB3  PHE   7           HB1      PHE   7  60.171  15.446  -1.228
   38    HD1  PHE   7           HD2      PHE   7  60.743  15.009  -3.743
   39    HD2  PHE   7           HD1      PHE   7  59.242  18.737  -2.225
   40    HE1  PHE   7           HE2      PHE   7  61.622  16.180  -5.746
   41    HE2  PHE   7           HE1      PHE   7  60.122  19.907  -4.227
   42    HZ   PHE   7           HZ       PHE   7  61.312  18.628  -5.987
   43    H    ASP   8           HN       ASP   8  56.045  13.889  -1.875
   44    HA   ASP   8           HA       ASP   8  55.981  13.529   0.968
   45    HB2  ASP   8           HB2      ASP   8  55.256  15.820   1.006
   46    HB3  ASP   8           HB1      ASP   8  54.108  15.532  -0.299
   47    H    ASN   9           HN       ASN   9  55.943  11.461  -0.444
   48    HA   ASN   9           HA       ASN   9  53.451  10.743  -1.670
   49    HB2  ASN   9           HB2      ASN   9  55.709   8.966  -0.723
   50    HB3  ASN   9           HB1      ASN   9  54.405   8.496  -1.809
   51   HD21  ASN   9          HD21      ASN   9  56.935   8.196  -2.838
   52   HD22  ASN   9          HD22      ASN   9  57.276   9.415  -3.969
   53    H    TYR  10           HN       TYR  10  54.901  10.333   1.511
   54    HA   TYR  10           HA       TYR  10  52.291   9.645   2.592
   55    HB2  TYR  10           HB2      TYR  10  53.638   7.508   1.874
   56    HB3  TYR  10           HB1      TYR  10  54.542   7.825   3.356
   57    HD1  TYR  10           HD1      TYR  10  53.456   7.719   5.550
   58    HD2  TYR  10           HD2      TYR  10  51.277   6.893   1.943
   59    HE1  TYR  10           HE1      TYR  10  51.620   6.725   6.888
   60    HE2  TYR  10           HE2      TYR  10  49.440   5.899   3.279
   61    HH   TYR  10           HH       TYR  10  49.704   4.862   6.275
   62    H    TYR  11           HN       TYR  11  55.764   9.890   3.347
   63    HA   TYR  11           HA       TYR  11  55.071  11.664   5.581
   64    HB2  TYR  11           HB2      TYR  11  56.173  10.444   7.201
   65    HB3  TYR  11           HB1      TYR  11  55.544   9.135   6.205
   66    HD1  TYR  11           HD2      TYR  11  57.284   9.114   3.874
   67    HD2  TYR  11           HD1      TYR  11  58.275   9.785   7.998
   68    HE1  TYR  11           HE2      TYR  11  59.597   8.335   3.443
   69    HE2  TYR  11           HE1      TYR  11  60.589   9.006   7.568
   70    HH   TYR  11           HH       TYR  11  61.501   7.556   4.515
   71    H    GLY  12           HN       GLY  12  56.141  12.073   2.929
   72    HA2  GLY  12           HA2      GLY  12  57.612  14.023   2.573
   73    HA3  GLY  12           HA1      GLY  12  58.772  13.236   3.638
   74    H    ALA  13           HN       ALA  13  56.913  11.393   1.340
   75    HA   ALA  13           HA       ALA  13  57.457  10.524  -0.748
   76    HB1  ALA  13           HB1      ALA  13  60.296  11.437  -0.610
   77    HB2  ALA  13           HB2      ALA  13  59.045  12.653  -0.858
   78    HB3  ALA  13           HB3      ALA  13  59.216  11.320  -1.998
   79    H    ASP  14           HN       ASP  14  57.251   8.490   0.082
   80    HA   ASP  14           HA       ASP  14  59.730   7.196   1.042
   81    HB2  ASP  14           HB2      ASP  14  58.568   6.288   2.731
   82    HB3  ASP  14           HB1      ASP  14  57.248   7.378   2.303
   83    H    ASN  15           HN       ASN  15  57.404   7.342  -1.418
   84    HA   ASN  15           HA       ASN  15  58.568   5.001  -2.717
   85    HB2  ASN  15           HB2      ASN  15  56.607   4.147  -1.430
   86    HB3  ASN  15           HB1      ASN  15  55.576   5.248  -2.342
   87   HD21  ASN  15          HD21      ASN  15  56.067   2.111  -2.292
   88   HD22  ASN  15          HD22      ASN  15  56.120   1.734  -3.946
   89    H    GLN  16           HN       GLN  16  59.392   6.289  -4.330
   90    HA   GLN  16           HA       GLN  16  57.835   8.311  -5.648
   91    HB2  GLN  16           HB2      GLN  16  60.507   7.031  -6.210
   92    HB3  GLN  16           HB1      GLN  16  59.788   8.214  -7.304
   93    HG2  GLN  16           HG2      GLN  16  60.131   9.951  -5.865
   94    HG3  GLN  16           HG1      GLN  16  59.790   8.970  -4.441
   95   HE21  GLN  16          HE21      GLN  16  61.598   7.326  -3.875
   96   HE22  GLN  16          HE22      GLN  16  63.199   7.823  -4.143
   97    H    SER  17           HN       SER  17  56.905   5.422  -5.589
   98    HA   SER  17           HA       SER  17  55.516   4.234  -7.015
   99    HB2  SER  17           HB2      SER  17  55.545   6.577  -8.304
  100    HB3  SER  17           HB1      SER  17  56.481   5.633  -9.459
  101    HG   SER  17           HG       SER  17  54.017   4.766  -8.358
  102    H    GLU  18           HN       GLU  18  58.029   3.373  -6.239
  103    HA   GLU  18           HA       GLU  18  59.235   2.194  -8.651
  104    HB2  GLU  18           HB2      GLU  18  60.945   3.106  -7.356
  105    HB3  GLU  18           HB1      GLU  18  60.175   2.647  -5.837
  106    HG2  GLU  18           HG2      GLU  18  60.814   0.393  -6.047
  107    HG3  GLU  18           HG1      GLU  18  61.091   0.538  -7.782
  108    H    CYS  19           HN       CYS  19  59.016   0.090  -9.125
  109    HA   CYS  19           HA       CYS  19  58.501  -2.146  -8.925
  110    HB2  CYS  19           HB2      CYS  19  59.030  -3.156  -6.970
  111    HB3  CYS  19           HB1      CYS  19  59.568  -1.550  -6.477
  112    HG   CYS  19           HG       CYS  19  57.860  -1.847  -4.688
  113    H    GLU  20           HN       GLU  20  56.542   0.407  -7.997
  114    HA   GLU  20           HA       GLU  20  54.177  -1.124  -7.335
  115    HB2  GLU  20           HB2      GLU  20  54.849   1.332  -6.642
  116    HB3  GLU  20           HB1      GLU  20  54.071   1.747  -8.169
  117    HG2  GLU  20           HG2      GLU  20  52.136   0.216  -7.322
  118    HG3  GLU  20           HG1      GLU  20  52.871   0.447  -5.736
  119    H    TYR  21           HN       TYR  21  55.169  -2.056  -9.725
  120    HA   TYR  21           HA       TYR  21  53.466  -0.855 -11.809
  121    HB2  TYR  21           HB2      TYR  21  55.583  -2.986 -12.148
  122    HB3  TYR  21           HB1      TYR  21  54.827  -2.010 -13.409
  123    HD1  TYR  21           HD1      TYR  21  55.084   0.578 -13.193
  124    HD2  TYR  21           HD2      TYR  21  57.585  -2.261 -11.159
  125    HE1  TYR  21           HE1      TYR  21  56.816   2.326 -12.885
  126    HE2  TYR  21           HE2      TYR  21  59.317  -0.514 -10.852
  127    HH   TYR  21           HH       TYR  21  59.280   2.110 -10.735
  128    H    THR  22           HN       THR  22  54.550  -4.199 -11.282
  129    HA   THR  22           HA       THR  22  51.929  -5.193 -10.692
  130    HB   THR  22           HB       THR  22  52.964  -6.085 -13.368
  131    HG1  THR  22           HG1      THR  22  51.098  -4.000 -12.939
  132   HG21  THR  22          HG21      THR  22  50.097  -5.852 -12.533
  133   HG22  THR  22          HG22      THR  22  51.074  -7.161 -11.867
  134   HG23  THR  22          HG23      THR  22  50.856  -7.023 -13.611
  135    H    ASP  23           HN       ASP  23  54.754  -5.348  -9.803
  136    HA   ASP  23           HA       ASP  23  54.910  -8.280  -9.658
  137    HB2  ASP  23           HB2      ASP  23  56.594  -6.855 -11.315
  138    HB3  ASP  23           HB1      ASP  23  57.541  -7.008  -9.837
  139    H    TRP  24           HN       TRP  24  54.066  -6.119  -7.830
  140    HA   TRP  24           HA       TRP  24  55.979  -6.663  -5.641
  141    HB2  TRP  24           HB2      TRP  24  55.555  -4.417  -4.762
  142    HB3  TRP  24           HB1      TRP  24  56.202  -4.323  -6.400
  143    HD1  TRP  24           HD1      TRP  24  54.124  -4.292  -8.363
  144    HE1  TRP  24           HE1      TRP  24  52.014  -2.811  -8.330
  145    HE3  TRP  24           HE3      TRP  24  53.934  -3.134  -3.392
  146    HZ2  TRP  24           HZ2      TRP  24  50.452  -1.331  -6.445
  147    HZ3  TRP  24           HZ3      TRP  24  52.127  -1.689  -2.506
  148    HH2  TRP  24           HH2      TRP  24  50.388  -0.786  -4.025
  149    H    LYS  25           HN       LYS  25  52.988  -7.255  -6.789
  150    HA   LYS  25           HA       LYS  25  51.970  -7.895  -4.137
  151    HB2  LYS  25           HB2      LYS  25  49.701  -6.839  -4.896
  152    HB3  LYS  25           HB1      LYS  25  50.940  -5.810  -4.180
  153    HG2  LYS  25           HG2      LYS  25  50.001  -4.779  -6.217
  154    HG3  LYS  25           HG1      LYS  25  51.709  -5.155  -6.432
  155    HD2  LYS  25           HD2      LYS  25  51.252  -7.011  -7.810
  156    HD3  LYS  25           HD1      LYS  25  49.580  -7.123  -7.257
  157    HE2  LYS  25           HE2      LYS  25  48.951  -5.155  -8.461
  158    HE3  LYS  25           HE1      LYS  25  50.633  -4.737  -8.788
  159    HZ1  LYS  25           HZ1      LYS  25  48.916  -6.674 -10.100
  160    HZ2  LYS  25           HZ2      LYS  25  50.517  -7.176  -9.836
  161    HZ3  LYS  25           HZ3      LYS  25  50.202  -5.762 -10.725
  162    H    SER  26           HN       SER  26  52.801  -9.127  -6.813
  163    HA   SER  26           HA       SER  26  50.836 -11.211  -6.812
  164    HB2  SER  26           HB2      SER  26  49.704  -9.404  -8.164
  165    HB3  SER  26           HB1      SER  26  51.010  -9.554  -9.336
  166    HG   SER  26           HG       SER  26  50.397 -11.929  -9.165
  167    H    SER  27           HN       SER  27  53.780 -10.672  -6.658
  168    HA   SER  27           HA       SER  27  54.978 -11.750  -9.027
  169    HB2  SER  27           HB2      SER  27  56.089 -11.563  -6.218
  170    HB3  SER  27           HB1      SER  27  57.020 -11.872  -7.681
  171    HG   SER  27           HG       SER  27  56.010  -9.529  -6.681
  172    H    GLY  28           HN       GLY  28  52.820 -13.219  -7.323
  173    HA2  GLY  28           HA2      GLY  28  53.075 -15.768  -8.035
  174    HA3  GLY  28           HA1      GLY  28  54.208 -15.708  -6.689
  175    H    ALA  29           HN       ALA  29  52.169 -13.481  -5.716
  176    HA   ALA  29           HA       ALA  29  50.210 -13.378  -4.486
  177    HB1  ALA  29           HB1      ALA  29  49.555 -15.405  -6.089
  178    HB2  ALA  29           HB2      ALA  29  48.589 -14.991  -4.674
  179    HB3  ALA  29           HB3      ALA  29  49.746 -16.319  -4.593
  180    H    LEU  30           HN       LEU  30  52.877 -13.815  -3.516
  181    HA   LEU  30           HA       LEU  30  52.364 -15.382  -1.062
  182    HB2  LEU  30           HB2      LEU  30  54.921 -15.245  -0.863
  183    HB3  LEU  30           HB1      LEU  30  54.269 -16.298  -2.119
  184    HG   LEU  30           HG       LEU  30  54.658 -13.504  -2.968
  185   HD11  LEU  30          HD11      LEU  30  56.618 -13.751  -1.498
  186   HD12  LEU  30          HD12      LEU  30  57.113 -13.747  -3.191
  187   HD13  LEU  30          HD13      LEU  30  57.036 -15.266  -2.300
  188   HD21  LEU  30          HD21      LEU  30  55.331 -14.548  -4.990
  189   HD22  LEU  30          HD22      LEU  30  54.069 -15.601  -4.350
  190   HD23  LEU  30          HD23      LEU  30  55.766 -16.045  -4.168
  191    H    ILE  31           HN       ILE  31  53.175 -12.264  -2.373
  192    HA   ILE  31           HA       ILE  31  53.986 -11.122   0.146
  193    HB   ILE  31           HB       ILE  31  53.882 -10.288  -2.642
  194   HG12  ILE  31          HG12      ILE  31  55.782  -8.916  -1.894
  195   HG13  ILE  31          HG11      ILE  31  55.377  -9.263  -0.212
  196   HG21  ILE  31          HG21      ILE  31  53.050  -8.269  -0.527
  197   HG22  ILE  31          HG22      ILE  31  52.115  -8.750  -1.947
  198   HG23  ILE  31          HG23      ILE  31  53.617  -7.853  -2.141
  199   HD11  ILE  31          HD11      ILE  31  56.282 -11.345  -0.297
  200   HD12  ILE  31          HD12      ILE  31  57.131 -10.740  -1.719
  201   HD13  ILE  31          HD13      ILE  31  55.637 -11.658  -1.908
  202    HA   PRO  32           HA       PRO  32  49.575  -9.399   0.136
  203    HB2  PRO  32           HB2      PRO  32  47.760 -10.305  -1.668
  204    HB3  PRO  32           HB1      PRO  32  48.902  -9.000  -2.034
  205    HG2  PRO  32           HG2      PRO  32  48.885 -11.795  -2.950
  206    HG3  PRO  32           HG1      PRO  32  49.593 -10.359  -3.703
  207    HD2  PRO  32           HD2      PRO  32  50.952 -12.366  -2.185
  208    HD3  PRO  32           HD1      PRO  32  51.637 -10.865  -2.842
  209    H    ALA  33           HN       ALA  33  50.602 -12.184   0.881
  210    HA   ALA  33           HA       ALA  33  48.024 -13.241   1.874
  211    HB1  ALA  33           HB1      ALA  33  49.989 -14.549   0.201
  212    HB2  ALA  33           HB2      ALA  33  48.399 -15.118   0.704
  213    HB3  ALA  33           HB3      ALA  33  49.803 -15.404   1.732
  214    H    ILE  34           HN       ILE  34  50.724 -11.716   2.750
  215    HA   ILE  34           HA       ILE  34  50.648 -12.846   5.450
  216    HB   ILE  34           HB       ILE  34  53.361 -12.360   5.046
  217   HG12  ILE  34          HG12      ILE  34  52.248 -14.022   2.764
  218   HG13  ILE  34          HG11      ILE  34  52.868 -12.380   2.588
  219   HG21  ILE  34          HG21      ILE  34  52.347 -14.128   6.438
  220   HG22  ILE  34          HG22      ILE  34  53.544 -14.808   5.336
  221   HG23  ILE  34          HG23      ILE  34  51.825 -14.977   4.983
  222   HD11  ILE  34          HD11      ILE  34  54.781 -13.947   4.046
  223   HD12  ILE  34          HD12      ILE  34  54.974 -13.155   2.482
  224   HD13  ILE  34          HD13      ILE  34  54.349 -14.803   2.566
  225    H    TYR  35           HN       TYR  35  52.382 -10.463   3.430
  226    HA   TYR  35           HA       TYR  35  52.851  -8.602   5.489
  227    HB2  TYR  35           HB2      TYR  35  52.824  -8.500   2.502
  228    HB3  TYR  35           HB1      TYR  35  52.852  -6.979   3.395
  229    HD1  TYR  35           HD1      TYR  35  54.648 -10.163   2.796
  230    HD2  TYR  35           HD2      TYR  35  54.786  -6.295   4.657
  231    HE1  TYR  35           HE1      TYR  35  57.073 -10.455   3.223
  232    HE2  TYR  35           HE2      TYR  35  57.212  -6.586   5.084
  233    HH   TYR  35           HH       TYR  35  59.128  -8.289   3.696
  234    H    MET  36           HN       MET  36  49.944  -9.636   4.365
  235    HA   MET  36           HA       MET  36  48.603  -7.030   4.557
  236    HB2  MET  36           HB2      MET  36  47.521  -9.762   3.825
  237    HB3  MET  36           HB1      MET  36  46.604  -8.256   3.793
  238    HG2  MET  36           HG2      MET  36  49.192  -8.476   2.274
  239    HG3  MET  36           HG1      MET  36  47.700  -9.109   1.578
  240    HE1  MET  36           HE1      MET  36  49.359  -7.029   0.158
  241    HE2  MET  36           HE2      MET  36  49.980  -6.271   1.622
  242    HE3  MET  36           HE3      MET  36  49.052  -5.314   0.468
  243    H    LEU  37           HN       LEU  37  48.398 -10.296   5.976
  244    HA   LEU  37           HA       LEU  37  46.603  -9.419   8.061
  245    HB2  LEU  37           HB2      LEU  37  48.033 -12.000   7.456
  246    HB3  LEU  37           HB1      LEU  37  47.147 -11.771   8.963
  247    HG   LEU  37           HG       LEU  37  45.112 -11.207   7.685
  248   HD11  LEU  37          HD11      LEU  37  45.856 -10.255   5.673
  249   HD12  LEU  37          HD12      LEU  37  45.293 -11.844   5.157
  250   HD13  LEU  37          HD13      LEU  37  47.017 -11.550   5.379
  251   HD21  LEU  37          HD21      LEU  37  46.474 -13.802   6.901
  252   HD22  LEU  37          HD22      LEU  37  44.757 -13.478   6.667
  253   HD23  LEU  37          HD23      LEU  37  45.429 -13.540   8.297
  254    H    VAL  38           HN       VAL  38  49.571  -8.484   7.647
  255    HA   VAL  38           HA       VAL  38  50.180  -8.481  10.522
  256    HB   VAL  38           HB       VAL  38  52.293  -9.045   8.436
  257   HG11  VAL  38          HG11      VAL  38  53.131  -8.003  10.473
  258   HG12  VAL  38          HG12      VAL  38  53.581  -9.709  10.478
  259   HG13  VAL  38          HG13      VAL  38  52.231  -9.150  11.467
  260   HG21  VAL  38          HG21      VAL  38  50.814 -10.948  10.281
  261   HG22  VAL  38          HG22      VAL  38  52.242 -11.371   9.338
  262   HG23  VAL  38          HG23      VAL  38  50.742 -10.938   8.519
  263    H    PHE  39           HN       PHE  39  51.996  -7.435   7.650
  264    HA   PHE  39           HA       PHE  39  52.909  -5.029   8.599
  265    HB2  PHE  39           HB2      PHE  39  52.946  -6.318   6.155
  266    HB3  PHE  39           HB1      PHE  39  52.057  -4.834   5.806
  267    HD1  PHE  39           HD1      PHE  39  55.206  -6.159   7.294
  268    HD2  PHE  39           HD2      PHE  39  53.159  -2.729   5.715
  269    HE1  PHE  39           HE1      PHE  39  57.330  -4.879   7.322
  270    HE2  PHE  39           HE2      PHE  39  55.282  -1.449   5.743
  271    HZ   PHE  39           HZ       PHE  39  57.368  -2.524   6.547
  272    H    LEU  40           HN       LEU  40  49.868  -5.558   6.811
  273    HA   LEU  40           HA       LEU  40  48.989  -2.856   7.570
  274    HB2  LEU  40           HB2      LEU  40  48.035  -4.849   5.519
  275    HB3  LEU  40           HB1      LEU  40  47.065  -3.448   5.976
  276    HG   LEU  40           HG       LEU  40  49.937  -2.981   5.302
  277   HD11  LEU  40          HD11      LEU  40  49.012  -2.676   2.861
  278   HD12  LEU  40          HD12      LEU  40  47.799  -3.849   3.375
  279   HD13  LEU  40          HD13      LEU  40  49.510  -4.278   3.405
  280   HD21  LEU  40          HD21      LEU  40  47.525  -1.423   4.394
  281   HD22  LEU  40          HD22      LEU  40  49.156  -0.842   4.727
  282   HD23  LEU  40          HD23      LEU  40  48.088  -1.287   6.059
  283    H    LEU  41           HN       LEU  41  49.090  -4.481   9.735
  284    HA   LEU  41           HA       LEU  41  46.440  -4.411  10.711
  285    HB2  LEU  41           HB2      LEU  41  46.003  -6.364   9.390
  286    HB3  LEU  41           HB1      LEU  41  47.506  -7.125   9.905
  287    HG   LEU  41           HG       LEU  41  46.685  -7.409  12.153
  288   HD11  LEU  41          HD11      LEU  41  45.510  -5.409  12.623
  289   HD12  LEU  41          HD12      LEU  41  44.252  -6.643  12.604
  290   HD13  LEU  41          HD13      LEU  41  44.472  -5.587  11.209
  291   HD21  LEU  41          HD21      LEU  41  44.607  -8.744  11.735
  292   HD22  LEU  41          HD22      LEU  41  45.903  -9.103  10.592
  293   HD23  LEU  41          HD23      LEU  41  44.554  -8.077  10.102
  294    H    GLY  42           HN       GLY  42  49.233  -6.596  11.156
  295    HA2  GLY  42           HA2      GLY  42  49.220  -6.755  13.909
  296    HA3  GLY  42           HA1      GLY  42  50.682  -6.853  12.932
  297    H    THR  43           HN       THR  43  49.736  -3.983  12.026
  298    HA   THR  43           HA       THR  43  50.635  -2.508  14.411
  299    HB   THR  43           HB       THR  43  52.677  -2.677  13.247
  300    HG1  THR  43           HG1      THR  43  52.990  -0.577  12.511
  301   HG21  THR  43          HG21      THR  43  52.465  -3.526  11.155
  302   HG22  THR  43          HG22      THR  43  52.378  -1.838  10.650
  303   HG23  THR  43          HG23      THR  43  50.896  -2.760  10.905
  304    H    THR  44           HN       THR  44  50.572  -1.004  11.303
  305    HA   THR  44           HA       THR  44  49.287   0.714  10.475
  306    HB   THR  44           HB       THR  44  47.126   0.103  10.002
  307    HG1  THR  44           HG1      THR  44  45.952  -1.177  11.701
  308   HG21  THR  44          HG21      THR  44  47.827  -2.551  11.215
  309   HG22  THR  44          HG22      THR  44  48.795  -1.919   9.883
  310   HG23  THR  44          HG23      THR  44  47.068  -2.203   9.661
  311    H    GLY  45           HN       GLY  45  49.924   0.437  13.582
  312    HA2  GLY  45           HA2      GLY  45  49.920   2.103  15.215
  313    HA3  GLY  45           HA1      GLY  45  48.778   3.022  14.238
  314    H    ASN  46           HN       ASN  46  48.194  -0.332  14.956
  315    HA   ASN  46           HA       ASN  46  46.240   0.406  17.040
  316    HB2  ASN  46           HB2      ASN  46  44.461  -0.405  15.907
  317    HB3  ASN  46           HB1      ASN  46  45.465  -0.169  14.478
  318   HD21  ASN  46          HD21      ASN  46  47.268  -2.256  14.579
  319   HD22  ASN  46          HD22      ASN  46  46.456  -3.747  14.564
  320    H    GLY  47           HN       GLY  47  48.890  -1.337  16.274
  321    HA2  GLY  47           HA2      GLY  47  48.126  -3.695  17.877
  322    HA3  GLY  47           HA1      GLY  47  49.507  -3.609  16.787
  323    H    LEU  48           HN       LEU  48  49.324  -0.723  18.404
  324    HA   LEU  48           HA       LEU  48  50.934  -1.644  20.694
  325    HB2  LEU  48           HB2      LEU  48  52.382   0.464  20.195
  326    HB3  LEU  48           HB1      LEU  48  52.676  -1.010  19.273
  327    HG   LEU  48           HG       LEU  48  50.613   0.809  18.164
  328   HD11  LEU  48          HD11      LEU  48  53.543   1.532  18.356
  329   HD12  LEU  48          HD12      LEU  48  52.147   2.528  18.768
  330   HD13  LEU  48          HD13      LEU  48  52.504   2.165  17.080
  331   HD21  LEU  48          HD21      LEU  48  53.020  -0.520  16.889
  332   HD22  LEU  48          HD22      LEU  48  51.568   0.068  16.079
  333   HD23  LEU  48          HD23      LEU  48  51.480  -1.344  17.132
  334    H    VAL  49           HN       VAL  49  48.283  -0.060  19.701
  335    HA   VAL  49           HA       VAL  49  48.473   2.138  21.645
  336    HB   VAL  49           HB       VAL  49  46.337   1.512  19.592
  337   HG11  VAL  49          HG11      VAL  49  46.454   3.321  21.866
  338   HG12  VAL  49          HG12      VAL  49  45.097   2.961  20.798
  339   HG13  VAL  49          HG13      VAL  49  46.262   4.209  20.356
  340   HG21  VAL  49          HG21      VAL  49  48.767   3.295  19.622
  341   HG22  VAL  49          HG22      VAL  49  47.370   3.706  18.628
  342   HG23  VAL  49          HG23      VAL  49  48.226   2.188  18.361
  343    H    LEU  50           HN       LEU  50  46.099  -0.367  20.714
  344    HA   LEU  50           HA       LEU  50  44.986  -0.273  23.427
  345    HB2  LEU  50           HB2      LEU  50  43.175  -1.659  22.487
  346    HB3  LEU  50           HB1      LEU  50  43.403  -0.178  21.557
  347    HG   LEU  50           HG       LEU  50  45.149  -1.933  20.329
  348   HD11  LEU  50          HD11      LEU  50  42.591  -3.416  21.015
  349   HD12  LEU  50          HD12      LEU  50  44.191  -3.803  21.650
  350   HD13  LEU  50          HD13      LEU  50  43.858  -3.986  19.927
  351   HD21  LEU  50          HD21      LEU  50  42.268  -1.220  19.710
  352   HD22  LEU  50          HD22      LEU  50  43.334  -2.032  18.563
  353   HD23  LEU  50          HD23      LEU  50  43.719  -0.405  19.126
  354    H    TRP  51           HN       TRP  51  46.677  -2.419  21.211
  355    HA   TRP  51           HA       TRP  51  46.395  -4.851  22.546
  356    HB2  TRP  51           HB2      TRP  51  47.488  -5.213  20.580
  357    HB3  TRP  51           HB1      TRP  51  48.354  -3.679  20.659
  358    HD1  TRP  51           HD1      TRP  51  50.651  -3.610  21.944
  359    HE1  TRP  51           HE1      TRP  51  52.237  -5.461  22.782
  360    HE3  TRP  51           HE3      TRP  51  47.561  -7.659  21.570
  361    HZ2  TRP  51           HZ2      TRP  51  52.202  -8.285  23.234
  362    HZ3  TRP  51           HZ3      TRP  51  48.362  -9.915  22.210
  363    HH2  TRP  51           HH2      TRP  51  50.678 -10.233  23.041
  364    H    THR  52           HN       THR  52  48.002  -2.005  23.534
  365    HA   THR  52           HA       THR  52  49.888  -3.304  25.307
  366    HB   THR  52           HB       THR  52  50.060  -0.956  24.154
  367    HG1  THR  52           HG1      THR  52  50.754  -1.627  26.803
  368   HG21  THR  52          HG21      THR  52  49.125   0.864  25.304
  369   HG22  THR  52          HG22      THR  52  48.830  -0.087  26.759
  370   HG23  THR  52          HG23      THR  52  47.824  -0.326  25.330
  371    H    VAL  53           HN       VAL  53  46.596  -2.382  25.405
  372    HA   VAL  53           HA       VAL  53  46.257  -1.785  28.135
  373    HB   VAL  53           HB       VAL  53  44.336  -3.117  26.212
  374   HG11  VAL  53          HG11      VAL  53  43.976  -1.836  28.931
  375   HG12  VAL  53          HG12      VAL  53  43.538  -3.474  28.444
  376   HG13  VAL  53          HG13      VAL  53  42.638  -2.096  27.811
  377   HG21  VAL  53          HG21      VAL  53  43.883  -1.047  25.385
  378   HG22  VAL  53          HG22      VAL  53  45.454  -0.604  26.054
  379   HG23  VAL  53          HG23      VAL  53  43.983  -0.294  26.977
  380    H    PHE  54           HN       PHE  54  46.919  -4.747  26.511
  381    HA   PHE  54           HA       PHE  54  46.202  -6.312  28.910
  382    HB2  PHE  54           HB2      PHE  54  46.041  -6.820  26.069
  383    HB3  PHE  54           HB1      PHE  54  47.017  -8.054  26.865
  384    HD1  PHE  54           HD2      PHE  54  43.761  -6.234  27.125
  385    HD2  PHE  54           HD1      PHE  54  45.994  -9.765  28.120
  386    HE1  PHE  54           HE2      PHE  54  41.702  -7.280  28.030
  387    HE2  PHE  54           HE1      PHE  54  43.936 -10.812  29.025
  388    HZ   PHE  54           HZ       PHE  54  41.790  -9.569  28.980
  389    H    ARG  55           HN       ARG  55  48.687  -4.583  28.176
  390    HA   ARG  55           HA       ARG  55  50.757  -6.651  28.509
  391    HB2  ARG  55           HB2      ARG  55  50.964  -4.902  26.692
  392    HB3  ARG  55           HB1      ARG  55  51.166  -3.706  27.973
  393    HG2  ARG  55           HG2      ARG  55  53.369  -4.216  27.883
  394    HG3  ARG  55           HG1      ARG  55  52.929  -5.707  28.715
  395    HD2  ARG  55           HD2      ARG  55  53.055  -5.334  25.710
  396    HD3  ARG  55           HD1      ARG  55  54.241  -6.193  26.688
  397    HE   ARG  55           HE       ARG  55  51.533  -7.190  26.961
  398   HH11  ARG  55          HH21      ARG  55  54.525  -7.312  25.228
  399   HH12  ARG  55          HH22      ARG  55  54.277  -8.921  24.638
  400   HH21  ARG  55          HH11      ARG  55  51.200  -9.300  26.190
  401   HH22  ARG  55          HH12      ARG  55  52.395 -10.047  25.183
  402    H    LYS  56           HN       LYS  56  50.464  -3.293  29.668
  403    HA   LYS  56           HA       LYS  56  52.014  -3.489  31.918
  404    HB2  LYS  56           HB2      LYS  56  50.676  -1.630  32.856
  405    HB3  LYS  56           HB1      LYS  56  51.087  -1.368  31.162
  406    HG2  LYS  56           HG2      LYS  56  48.683  -2.786  31.067
  407    HG3  LYS  56           HG1      LYS  56  48.464  -1.647  32.395
  408    HD2  LYS  56           HD2      LYS  56  49.344   0.162  30.846
  409    HD3  LYS  56           HD1      LYS  56  49.225  -1.014  29.537
  410    HE2  LYS  56           HE2      LYS  56  47.039   0.293  31.115
  411    HE3  LYS  56           HE1      LYS  56  47.141  -0.003  29.379
  412    HZ1  LYS  56           HZ1      LYS  56  46.505  -1.921  31.536
  413    HZ2  LYS  56           HZ2      LYS  56  47.021  -2.446  30.004
  414    HZ3  LYS  56           HZ3      LYS  56  45.592  -1.540  30.158
  415    H    LYS  57           HN       LYS  57  48.703  -4.581  31.489
  416    HA   LYS  57           HA       LYS  57  48.024  -5.020  34.181
  417    HB2  LYS  57           HB2      LYS  57  47.144  -6.686  31.814
  418    HB3  LYS  57           HB1      LYS  57  46.293  -6.475  33.345
  419    HG2  LYS  57           HG2      LYS  57  46.889  -4.271  31.346
  420    HG3  LYS  57           HG1      LYS  57  45.318  -5.038  31.588
  421    HD2  LYS  57           HD2      LYS  57  45.688  -4.338  34.099
  422    HD3  LYS  57           HD1      LYS  57  46.809  -3.168  33.402
  423    HE2  LYS  57           HE2      LYS  57  44.741  -2.767  31.747
  424    HE3  LYS  57           HE1      LYS  57  43.842  -3.332  33.154
  425    HZ1  LYS  57           HZ1      LYS  57  44.027  -1.028  33.413
  426    HZ2  LYS  57           HZ2      LYS  57  45.664  -1.009  32.958
  427    HZ3  LYS  57           HZ3      LYS  57  45.203  -1.668  34.454
  428    H    GLY  58           HN       GLY  58  49.942  -6.893  31.922
  429    HA2  GLY  58           HA2      GLY  58  51.575  -8.242  33.540
  430    HA3  GLY  58           HA1      GLY  58  50.097  -9.181  33.724
  431    H    HIS  59           HN       HIS  59  52.776  -8.437  31.682
  432    HA   HIS  59           HA       HIS  59  51.895  -9.442  29.217
  433    HB2  HIS  59           HB2      HIS  59  53.994  -8.944  28.600
  434    HB3  HIS  59           HB1      HIS  59  54.298  -8.472  30.272
  435    HD2  HIS  59           HD2      HIS  59  55.996 -10.195  31.672
  436    HE1  HIS  59           HE1      HIS  59  56.253 -13.207  28.724
  437    HE2  HIS  59           HE2      HIS  59  57.156 -12.425  30.965
  438    H    HIS  60           HN       HIS  60  52.505 -11.047  32.170
  439    HA   HIS  60           HA       HIS  60  53.240 -13.608  31.138
  440    HB2  HIS  60           HB2      HIS  60  52.012 -12.820  33.790
  441    HB3  HIS  60           HB1      HIS  60  52.665 -14.415  33.413
  442    HD2  HIS  60           HD2      HIS  60  55.501 -13.639  32.040
  443    HE1  HIS  60           HE1      HIS  60  56.178 -11.228  35.439
  444    HE2  HIS  60           HE2      HIS  60  57.286 -12.361  33.456
  445    H    HIS  61           HN       HIS  61  50.371 -13.226  33.132
  446    HA   HIS  61           HA       HIS  61  48.432 -13.712  31.129
  447    HB2  HIS  61           HB2      HIS  61  47.915 -16.108  31.920
  448    HB3  HIS  61           HB1      HIS  61  49.275 -15.892  30.818
  449    HD2  HIS  61           HD2      HIS  61  50.764 -18.044  31.934
  450    HE1  HIS  61           HE1      HIS  61  51.189 -16.340  35.773
  451    HE2  HIS  61           HE2      HIS  61  51.949 -18.227  34.254
  452    H    HIS  62           HN       HIS  62  47.306 -12.164  32.317
  453    HA   HIS  62           HA       HIS  62  46.083 -11.278  34.072
  454    HB2  HIS  62           HB2      HIS  62  44.202 -12.593  34.591
  455    HB3  HIS  62           HB1      HIS  62  44.697 -13.174  33.001
  456    HD2  HIS  62           HD2      HIS  62  45.589 -15.841  32.943
  457    HE1  HIS  62           HE1      HIS  62  45.226 -16.579  37.083
  458    HE2  HIS  62           HE2      HIS  62  45.683 -17.647  34.826
  459    H    HIS  63           HN       HIS  63  48.746 -12.579  34.750
  460    HA   HIS  63           HA       HIS  63  48.473 -13.765  37.333
  461    HB2  HIS  63           HB2      HIS  63  50.461 -13.910  35.688
  462    HB3  HIS  63           HB1      HIS  63  50.949 -12.356  36.365
  463    HD2  HIS  63           HD2      HIS  63  49.633 -13.691  39.431
  464    HE1  HIS  63           HE1      HIS  63  53.311 -15.746  39.149
  465    HE2  HIS  63           HE2      HIS  63  51.410 -15.113  40.712
  466    H    HIS  64           HN       HIS  64  46.879 -11.939  37.943
  467    HA   HIS  64           HA       HIS  64  48.186  -9.486  38.834
  468    HB2  HIS  64           HB2      HIS  64  45.341 -10.456  38.751
  469    HB3  HIS  64           HB1      HIS  64  45.787  -9.043  39.708
  470    HD2  HIS  64           HD2      HIS  64  46.969  -9.967  36.009
  471    HE1  HIS  64           HE1      HIS  64  45.364  -6.062  36.032
  472    HE2  HIS  64           HE2      HIS  64  46.484  -7.828  34.590
  Start of MODEL   24
    1    H1   MET   1           HT1      MET   1  37.110 -35.390 -15.302
    2    H2   MET   1           HT2      MET   1  37.086 -33.692 -15.376
    3    H3   MET   1           HT3      MET   1  36.448 -34.612 -16.655
    4    HA   MET   1           HA       MET   1  34.575 -35.235 -15.480
    5    HB2  MET   1           HB2      MET   1  36.382 -34.763 -13.162
    6    HB3  MET   1           HB1      MET   1  34.663 -34.476 -12.896
    7    HG2  MET   1           HG2      MET   1  35.699 -37.008 -14.182
    8    HG3  MET   1           HG1      MET   1  35.481 -36.855 -12.439
    9    HE1  MET   1           HE1      MET   1  33.468 -37.058 -11.208
   10    HE2  MET   1           HE2      MET   1  33.727 -38.608 -12.004
   11    HE3  MET   1           HE3      MET   1  32.099 -37.946 -11.892
   12    H    GLU   2           HN       GLU   2  36.247 -32.408 -14.064
   13    HA   GLU   2           HA       GLU   2  35.660 -30.191 -13.952
   14    HB2  GLU   2           HB2      GLU   2  35.580 -30.709 -16.513
   15    HB3  GLU   2           HB1      GLU   2  33.834 -30.583 -16.301
   16    HG2  GLU   2           HG2      GLU   2  34.503 -28.383 -16.849
   17    HG3  GLU   2           HG1      GLU   2  34.330 -28.355 -15.095
   18    H    GLU   3           HN       GLU   3  34.405 -29.502 -12.351
   19    HA   GLU   3           HA       GLU   3  31.852 -30.694 -11.781
   20    HB2  GLU   3           HB2      GLU   3  33.445 -28.443 -10.570
   21    HB3  GLU   3           HB1      GLU   3  31.799 -28.791 -10.040
   22    HG2  GLU   3           HG2      GLU   3  33.430 -29.977  -8.628
   23    HG3  GLU   3           HG1      GLU   3  32.451 -31.121  -9.544
   24    H    GLY   4           HN       GLY   4  32.340 -27.209 -11.734
   25    HA2  GLY   4           HA2      GLY   4  29.869 -26.897 -13.305
   26    HA3  GLY   4           HA1      GLY   4  30.570 -25.684 -12.238
   27    H    GLY   5           HN       GLY   5  32.985 -25.174 -12.960
   28    HA2  GLY   5           HA2      GLY   5  34.479 -24.605 -14.689
   29    HA3  GLY   5           HA1      GLY   5  33.257 -25.067 -15.870
   30    H    ASP   6           HN       ASP   6  34.714 -22.491 -14.206
   31    HA   ASP   6           HA       ASP   6  33.169 -20.553 -15.685
   32    HB2  ASP   6           HB2      ASP   6  31.851 -21.121 -13.530
   33    HB3  ASP   6           HB1      ASP   6  33.123 -20.232 -12.694
   34    H    PHE   7           HN       PHE   7  35.969 -21.471 -15.287
   35    HA   PHE   7           HA       PHE   7  37.188 -18.864 -15.178
   36    HB2  PHE   7           HB2      PHE   7  36.906 -19.768 -12.727
   37    HB3  PHE   7           HB1      PHE   7  38.285 -20.782 -13.155
   38    HD1  PHE   7           HD2      PHE   7  37.114 -17.228 -13.193
   39    HD2  PHE   7           HD1      PHE   7  40.467 -19.909 -13.083
   40    HE1  PHE   7           HE2      PHE   7  38.639 -15.305 -12.838
   41    HE2  PHE   7           HE1      PHE   7  41.993 -17.987 -12.727
   42    HZ   PHE   7           HZ       PHE   7  41.079 -15.685 -12.605
   43    H    ASP   8           HN       ASP   8  37.123 -20.523 -17.282
   44    HA   ASP   8           HA       ASP   8  39.931 -21.336 -17.528
   45    HB2  ASP   8           HB2      ASP   8  37.638 -23.130 -18.356
   46    HB3  ASP   8           HB1      ASP   8  39.359 -23.473 -18.530
   47    H    ASN   9           HN       ASN   9  39.126 -19.048 -18.568
   48    HA   ASN   9           HA       ASN   9  38.636 -19.607 -21.435
   49    HB2  ASN   9           HB2      ASN   9  37.467 -17.560 -21.631
   50    HB3  ASN   9           HB1      ASN   9  36.850 -18.299 -20.154
   51   HD21  ASN   9          HD21      ASN   9  38.178 -15.432 -21.406
   52   HD22  ASN   9          HD22      ASN   9  38.605 -14.703 -19.934
   53    H    TYR  10           HN       TYR  10  41.209 -19.782 -20.402
   54    HA   TYR  10           HA       TYR  10  43.342 -18.938 -20.593
   55    HB2  TYR  10           HB2      TYR  10  42.597 -19.236 -22.974
   56    HB3  TYR  10           HB1      TYR  10  42.174 -17.525 -22.994
   57    HD1  TYR  10           HD2      TYR  10  45.000 -19.888 -22.391
   58    HD2  TYR  10           HD1      TYR  10  43.827 -15.866 -23.340
   59    HE1  TYR  10           HE2      TYR  10  47.365 -19.309 -22.859
   60    HE2  TYR  10           HE1      TYR  10  46.193 -15.287 -23.808
   61    HH   TYR  10           HH       TYR  10  48.258 -16.273 -24.318
   62    H    TYR  11           HN       TYR  11  41.030 -17.163 -19.403
   63    HA   TYR  11           HA       TYR  11  40.757 -14.986 -18.654
   64    HB2  TYR  11           HB2      TYR  11  43.640 -14.763 -18.065
   65    HB3  TYR  11           HB1      TYR  11  42.254 -14.649 -16.981
   66    HD1  TYR  11           HD2      TYR  11  44.596 -16.953 -18.668
   67    HD2  TYR  11           HD1      TYR  11  41.323 -16.618 -15.906
   68    HE1  TYR  11           HE2      TYR  11  44.979 -19.289 -17.932
   69    HE2  TYR  11           HE1      TYR  11  41.706 -18.955 -15.169
   70    HH   TYR  11           HH       TYR  11  44.331 -20.575 -15.493
   71    H    GLY  12           HN       GLY  12  41.216 -15.095 -21.455
   72    HA2  GLY  12           HA2      GLY  12  41.985 -13.841 -23.252
   73    HA3  GLY  12           HA1      GLY  12  41.464 -12.510 -22.223
   74    H    ALA  13           HN       ALA  13  44.018 -14.544 -21.108
   75    HA   ALA  13           HA       ALA  13  46.323 -13.591 -22.188
   76    HB1  ALA  13           HB1      ALA  13  46.765 -11.749 -20.286
   77    HB2  ALA  13           HB2      ALA  13  45.025 -11.534 -20.479
   78    HB3  ALA  13           HB3      ALA  13  46.098 -11.337 -21.866
   79    H    ASP  14           HN       ASP  14  46.582 -15.785 -21.357
   80    HA   ASP  14           HA       ASP  14  46.798 -16.162 -18.493
   81    HB2  ASP  14           HB2      ASP  14  46.911 -18.396 -18.951
   82    HB3  ASP  14           HB1      ASP  14  46.194 -17.870 -20.472
   83    H    ASN  15           HN       ASN  15  48.586 -14.273 -20.126
   84    HA   ASN  15           HA       ASN  15  50.738 -13.494 -19.884
   85    HB2  ASN  15           HB2      ASN  15  51.465 -15.761 -18.076
   86    HB3  ASN  15           HB1      ASN  15  51.938 -14.065 -17.993
   87   HD21  ASN  15          HD21      ASN  15  49.865 -16.364 -16.609
   88   HD22  ASN  15          HD22      ASN  15  48.776 -15.295 -15.866
   89    H    GLN  16           HN       GLN  16  52.229 -13.721 -21.415
   90    HA   GLN  16           HA       GLN  16  53.173 -16.429 -22.110
   91    HB2  GLN  16           HB2      GLN  16  52.383 -14.287 -24.099
   92    HB3  GLN  16           HB1      GLN  16  53.079 -15.860 -24.494
   93    HG2  GLN  16           HG2      GLN  16  50.941 -16.587 -24.626
   94    HG3  GLN  16           HG1      GLN  16  50.955 -16.537 -22.865
   95   HE21  GLN  16          HE21      GLN  16  49.932 -14.680 -21.808
   96   HE22  GLN  16          HE22      GLN  16  48.887 -13.653 -22.665
   97    H    SER  17           HN       SER  17  53.694 -12.935 -22.230
   98    HA   SER  17           HA       SER  17  56.531 -13.314 -21.796
   99    HB2  SER  17           HB2      SER  17  56.347 -13.525 -24.258
  100    HB3  SER  17           HB1      SER  17  55.578 -11.942 -24.322
  101    HG   SER  17           HG       SER  17  57.532 -11.188 -24.356
  102    H    GLU  18           HN       GLU  18  54.477 -12.134 -20.261
  103    HA   GLU  18           HA       GLU  18  55.476  -9.368 -20.148
  104    HB2  GLU  18           HB2      GLU  18  53.369  -9.143 -21.289
  105    HB3  GLU  18           HB1      GLU  18  52.569 -10.200 -20.125
  106    HG2  GLU  18           HG2      GLU  18  52.669  -8.599 -18.409
  107    HG3  GLU  18           HG1      GLU  18  53.960  -7.696 -19.200
  108    H    CYS  19           HN       CYS  19  54.462 -12.256 -18.622
  109    HA   CYS  19           HA       CYS  19  55.521 -11.477 -16.100
  110    HB2  CYS  19           HB2      CYS  19  53.257 -11.790 -14.890
  111    HB3  CYS  19           HB1      CYS  19  53.574 -10.236 -15.661
  112    HG   CYS  19           HG       CYS  19  52.199 -11.361 -17.786
  113    H    GLU  20           HN       GLU  20  56.287 -13.567 -17.467
  114    HA   GLU  20           HA       GLU  20  54.778 -15.914 -16.525
  115    HB2  GLU  20           HB2      GLU  20  55.869 -15.397 -18.978
  116    HB3  GLU  20           HB1      GLU  20  57.145 -16.350 -18.219
  117    HG2  GLU  20           HG2      GLU  20  55.423 -18.058 -17.594
  118    HG3  GLU  20           HG1      GLU  20  54.234 -17.136 -18.512
  119    H    TYR  21           HN       TYR  21  56.388 -14.257 -14.736
  120    HA   TYR  21           HA       TYR  21  58.650 -16.037 -14.115
  121    HB2  TYR  21           HB2      TYR  21  57.959 -13.210 -13.364
  122    HB3  TYR  21           HB1      TYR  21  59.123 -14.133 -12.414
  123    HD1  TYR  21           HD1      TYR  21  58.331 -13.092 -15.919
  124    HD2  TYR  21           HD2      TYR  21  61.354 -14.344 -13.135
  125    HE1  TYR  21           HE1      TYR  21  60.081 -12.632 -17.614
  126    HE2  TYR  21           HE2      TYR  21  63.105 -13.884 -14.831
  127    HH   TYR  21           HH       TYR  21  63.079 -12.125 -17.068
  128    H    THR  22           HN       THR  22  56.722 -14.056 -11.910
  129    HA   THR  22           HA       THR  22  55.753 -16.480 -10.557
  130    HB   THR  22           HB       THR  22  56.645 -14.394  -8.700
  131    HG1  THR  22           HG1      THR  22  58.872 -15.408  -9.040
  132   HG21  THR  22          HG21      THR  22  57.503 -16.363  -7.511
  133   HG22  THR  22          HG22      THR  22  57.192 -17.367  -8.927
  134   HG23  THR  22          HG23      THR  22  55.846 -16.643  -8.045
  135    H    ASP  23           HN       ASP  23  54.519 -14.380 -12.222
  136    HA   ASP  23           HA       ASP  23  52.561 -13.373 -10.244
  137    HB2  ASP  23           HB2      ASP  23  54.093 -11.928 -12.297
  138    HB3  ASP  23           HB1      ASP  23  52.360 -11.602 -12.322
  139    H    TRP  24           HN       TRP  24  53.148 -15.220 -13.013
  140    HA   TRP  24           HA       TRP  24  50.784 -14.855 -14.497
  141    HB2  TRP  24           HB2      TRP  24  51.263 -17.033 -15.476
  142    HB3  TRP  24           HB1      TRP  24  52.761 -16.120 -15.307
  143    HD1  TRP  24           HD1      TRP  24  54.202 -16.695 -12.987
  144    HE1  TRP  24           HE1      TRP  24  54.584 -18.994 -11.882
  145    HE3  TRP  24           HE3      TRP  24  50.358 -19.329 -15.077
  146    HZ2  TRP  24           HZ2      TRP  24  53.414 -21.604 -11.886
  147    HZ3  TRP  24           HZ3      TRP  24  50.015 -21.716 -14.510
  148    HH2  TRP  24           HH2      TRP  24  51.538 -22.856 -12.917
  149    H    LYS  25           HN       LYS  25  51.177 -15.965 -11.367
  150    HA   LYS  25           HA       LYS  25  48.482 -17.165 -11.402
  151    HB2  LYS  25           HB2      LYS  25  49.481 -18.630  -9.451
  152    HB3  LYS  25           HB1      LYS  25  49.684 -19.124 -11.131
  153    HG2  LYS  25           HG2      LYS  25  51.814 -19.275  -9.880
  154    HG3  LYS  25           HG1      LYS  25  51.919 -18.091 -11.181
  155    HD2  LYS  25           HD2      LYS  25  51.810 -16.269  -9.696
  156    HD3  LYS  25           HD1      LYS  25  51.120 -17.246  -8.401
  157    HE2  LYS  25           HE2      LYS  25  53.940 -17.516  -9.484
  158    HE3  LYS  25           HE1      LYS  25  53.501 -16.731  -7.967
  159    HZ1  LYS  25           HZ1      LYS  25  53.856 -18.771  -7.137
  160    HZ2  LYS  25           HZ2      LYS  25  53.621 -19.551  -8.628
  161    HZ3  LYS  25           HZ3      LYS  25  52.284 -19.082  -7.691
  162    H    SER  26           HN       SER  26  50.409 -14.748 -10.308
  163    HA   SER  26           HA       SER  26  50.448 -13.388  -8.432
  164    HB2  SER  26           HB2      SER  26  48.171 -12.578  -7.851
  165    HB3  SER  26           HB1      SER  26  48.459 -12.612  -9.589
  166    HG   SER  26           HG       SER  26  46.822 -13.908  -9.710
  167    H    SER  27           HN       SER  27  51.475 -15.032  -7.084
  168    HA   SER  27           HA       SER  27  49.715 -15.798  -4.851
  169    HB2  SER  27           HB2      SER  27  50.061 -17.782  -6.323
  170    HB3  SER  27           HB1      SER  27  51.797 -17.630  -6.063
  171    HG   SER  27           HG       SER  27  51.097 -19.027  -4.526
  172    H    GLY  28           HN       GLY  28  52.957 -15.173  -6.074
  173    HA2  GLY  28           HA2      GLY  28  53.763 -14.369  -3.350
  174    HA3  GLY  28           HA1      GLY  28  54.813 -15.405  -4.313
  175    H    ALA  29           HN       ALA  29  52.867 -12.537  -5.147
  176    HA   ALA  29           HA       ALA  29  55.347 -11.115  -5.858
  177    HB1  ALA  29           HB1      ALA  29  53.913 -10.253  -7.883
  178    HB2  ALA  29           HB2      ALA  29  53.035 -11.765  -7.650
  179    HB3  ALA  29           HB3      ALA  29  54.762 -11.793  -8.001
  180    H    LEU  30           HN       LEU  30  52.196 -11.146  -4.550
  181    HA   LEU  30           HA       LEU  30  52.400  -8.260  -3.987
  182    HB2  LEU  30           HB2      LEU  30  49.790  -8.332  -4.182
  183    HB3  LEU  30           HB1      LEU  30  50.765  -8.160  -5.641
  184    HG   LEU  30           HG       LEU  30  50.213 -10.942  -4.755
  185   HD11  LEU  30          HD11      LEU  30  47.968 -10.906  -5.813
  186   HD12  LEU  30          HD12      LEU  30  48.090  -9.154  -5.982
  187   HD13  LEU  30          HD13      LEU  30  48.028  -9.882  -4.378
  188   HD21  LEU  30          HD21      LEU  30  51.455 -10.037  -6.872
  189   HD22  LEU  30          HD22      LEU  30  49.830  -9.741  -7.492
  190   HD23  LEU  30          HD23      LEU  30  50.325 -11.378  -7.062
  191    H    ILE  31           HN       ILE  31  51.662 -11.460  -2.997
  192    HA   ILE  31           HA       ILE  31  50.118 -10.854  -0.686
  193    HB   ILE  31           HB       ILE  31  51.334 -13.226  -1.901
  194   HG12  ILE  31          HG12      ILE  31  49.250 -14.227  -1.082
  195   HG13  ILE  31          HG11      ILE  31  48.926 -12.791  -0.111
  196   HG21  ILE  31          HG21      ILE  31  51.163 -13.016   1.125
  197   HG22  ILE  31          HG22      ILE  31  52.595 -13.406   0.167
  198   HG23  ILE  31          HG23      ILE  31  51.251 -14.538   0.244
  199   HD11  ILE  31          HD11      ILE  31  47.984 -13.152  -2.646
  200   HD12  ILE  31          HD12      ILE  31  49.476 -12.270  -2.970
  201   HD13  ILE  31          HD13      ILE  31  48.250 -11.570  -1.913
  202    HA   PRO  32           HA       PRO  32  54.243 -10.877   1.639
  203    HB2  PRO  32           HB2      PRO  32  56.586 -10.860   0.278
  204    HB3  PRO  32           HB1      PRO  32  55.691 -12.355   0.610
  205    HG2  PRO  32           HG2      PRO  32  55.991 -10.861  -1.910
  206    HG3  PRO  32           HG1      PRO  32  55.685 -12.583  -1.643
  207    HD2  PRO  32           HD2      PRO  32  53.772 -10.585  -2.336
  208    HD3  PRO  32           HD1      PRO  32  53.448 -12.280  -1.918
  209    H    ALA  33           HN       ALA  33  52.928  -8.678  -0.013
  210    HA   ALA  33           HA       ALA  33  54.919  -6.568   0.560
  211    HB1  ALA  33           HB1      ALA  33  53.798  -5.321  -1.379
  212    HB2  ALA  33           HB2      ALA  33  53.126  -6.884  -1.843
  213    HB3  ALA  33           HB3      ALA  33  54.873  -6.653  -1.804
  214    H    ILE  34           HN       ILE  34  51.461  -7.221  -0.019
  215    HA   ILE  34           HA       ILE  34  50.785  -4.955   1.736
  216    HB   ILE  34           HB       ILE  34  48.438  -5.416   0.850
  217   HG12  ILE  34          HG12      ILE  34  49.497  -6.726  -1.539
  218   HG13  ILE  34          HG11      ILE  34  49.671  -7.732  -0.101
  219   HG21  ILE  34          HG21      ILE  34  50.793  -4.435  -0.704
  220   HG22  ILE  34          HG22      ILE  34  49.367  -3.556  -0.154
  221   HG23  ILE  34          HG23      ILE  34  49.263  -4.613  -1.562
  222   HD11  ILE  34          HD11      ILE  34  47.100  -6.410  -1.019
  223   HD12  ILE  34          HD12      ILE  34  47.280  -7.422   0.415
  224   HD13  ILE  34          HD13      ILE  34  47.490  -8.122  -1.190
  225    H    TYR  35           HN       TYR  35  50.494  -8.437   1.411
  226    HA   TYR  35           HA       TYR  35  48.715  -8.727   3.667
  227    HB2  TYR  35           HB2      TYR  35  49.403 -10.330   1.533
  228    HB3  TYR  35           HB1      TYR  35  50.248 -11.096   2.879
  229    HD1  TYR  35           HD1      TYR  35  46.911  -9.677   1.940
  230    HD2  TYR  35           HD2      TYR  35  49.075 -12.495   4.353
  231    HE1  TYR  35           HE1      TYR  35  44.769 -10.638   2.738
  232    HE2  TYR  35           HE2      TYR  35  46.934 -13.456   5.152
  233    HH   TYR  35           HH       TYR  35  44.248 -13.320   3.817
  234    H    MET  36           HN       MET  36  51.252  -7.288   4.081
  235    HA   MET  36           HA       MET  36  52.361  -8.993   6.230
  236    HB2  MET  36           HB2      MET  36  53.953  -6.985   4.628
  237    HB3  MET  36           HB1      MET  36  54.563  -8.165   5.789
  238    HG2  MET  36           HG2      MET  36  53.202  -9.782   4.050
  239    HG3  MET  36           HG1      MET  36  53.801  -8.531   2.961
  240    HE1  MET  36           HE1      MET  36  54.610 -11.073   5.713
  241    HE2  MET  36           HE2      MET  36  56.007 -11.878   5.001
  242    HE3  MET  36           HE3      MET  36  54.473 -11.862   4.135
  243    H    LEU  37           HN       LEU  37  52.447  -5.605   5.095
  244    HA   LEU  37           HA       LEU  37  52.555  -4.618   7.810
  245    HB2  LEU  37           HB2      LEU  37  52.032  -2.945   5.361
  246    HB3  LEU  37           HB1      LEU  37  52.842  -2.483   6.859
  247    HG   LEU  37           HG       LEU  37  53.885  -4.431   4.783
  248   HD11  LEU  37          HD11      LEU  37  53.961  -1.852   4.426
  249   HD12  LEU  37          HD12      LEU  37  55.450  -2.773   4.205
  250   HD13  LEU  37          HD13      LEU  37  55.183  -1.871   5.698
  251   HD21  LEU  37          HD21      LEU  37  54.823  -3.662   7.545
  252   HD22  LEU  37          HD22      LEU  37  55.971  -4.209   6.323
  253   HD23  LEU  37          HD23      LEU  37  54.665  -5.273   6.845
  254    H    VAL  38           HN       VAL  38  50.144  -6.110   6.559
  255    HA   VAL  38           HA       VAL  38  48.130  -4.270   7.666
  256    HB   VAL  38           HB       VAL  38  47.826  -5.788   5.064
  257   HG11  VAL  38          HG11      VAL  38  45.621  -5.620   5.502
  258   HG12  VAL  38          HG12      VAL  38  45.800  -3.869   5.390
  259   HG13  VAL  38          HG13      VAL  38  45.928  -4.670   6.956
  260   HG21  VAL  38          HG21      VAL  38  49.223  -3.859   4.704
  261   HG22  VAL  38          HG22      VAL  38  48.190  -2.850   5.717
  262   HG23  VAL  38          HG23      VAL  38  47.604  -3.426   4.156
  263    H    PHE  39           HN       PHE  39  49.165  -7.517   6.865
  264    HA   PHE  39           HA       PHE  39  46.858  -8.808   8.016
  265    HB2  PHE  39           HB2      PHE  39  48.401  -9.750   6.198
  266    HB3  PHE  39           HB1      PHE  39  49.537 -10.094   7.503
  267    HD1  PHE  39           HD2      PHE  39  45.976 -10.628   6.480
  268    HD2  PHE  39           HD1      PHE  39  49.308 -12.044   8.792
  269    HE1  PHE  39           HE2      PHE  39  44.710 -12.683   7.045
  270    HE2  PHE  39           HE1      PHE  39  48.041 -14.100   9.358
  271    HZ   PHE  39           HZ       PHE  39  45.741 -14.419   8.485
  272    H    LEU  40           HN       LEU  40  50.093  -7.920   9.078
  273    HA   LEU  40           HA       LEU  40  49.527  -9.063  11.742
  274    HB2  LEU  40           HB2      LEU  40  52.175  -8.164  10.581
  275    HB3  LEU  40           HB1      LEU  40  51.928  -8.983  12.125
  276    HG   LEU  40           HG       LEU  40  50.639 -10.495  10.049
  277   HD11  LEU  40          HD11      LEU  40  53.587  -9.941   9.594
  278   HD12  LEU  40          HD12      LEU  40  52.280  -9.364   8.560
  279   HD13  LEU  40          HD13      LEU  40  52.596 -11.093   8.700
  280   HD21  LEU  40          HD21      LEU  40  53.076 -11.014  11.784
  281   HD22  LEU  40          HD22      LEU  40  52.190 -12.248  10.887
  282   HD23  LEU  40          HD23      LEU  40  51.404 -11.383  12.209
  283    H    LEU  41           HN       LEU  41  48.513  -6.487  10.620
  284    HA   LEU  41           HA       LEU  41  49.440  -4.784  12.827
  285    HB2  LEU  41           HB2      LEU  41  50.735  -3.966  10.980
  286    HB3  LEU  41           HB1      LEU  41  49.339  -4.002   9.906
  287    HG   LEU  41           HG       LEU  41  48.284  -2.185  11.086
  288   HD11  LEU  41          HD11      LEU  41  50.462  -2.691  13.114
  289   HD12  LEU  41          HD12      LEU  41  48.718  -2.616  13.372
  290   HD13  LEU  41          HD13      LEU  41  49.625  -1.140  13.042
  291   HD21  LEU  41          HD21      LEU  41  51.251  -1.652  10.746
  292   HD22  LEU  41          HD22      LEU  41  50.007  -0.407  10.861
  293   HD23  LEU  41          HD23      LEU  41  50.020  -1.516   9.491
  294    H    GLY  42           HN       GLY  42  47.223  -4.692  10.025
  295    HA2  GLY  42           HA2      GLY  42  45.201  -3.271  11.483
  296    HA3  GLY  42           HA1      GLY  42  45.035  -3.962   9.872
  297    H    THR  43           HN       THR  43  46.188  -6.449  11.586
  298    HA   THR  43           HA       THR  43  43.595  -7.282  12.706
  299    HB   THR  43           HB       THR  43  43.251  -8.814  11.111
  300    HG1  THR  43           HG1      THR  43  44.659 -10.124  12.384
  301   HG21  THR  43          HG21      THR  43  44.664  -8.816   9.093
  302   HG22  THR  43          HG22      THR  43  45.898  -7.895   9.954
  303   HG23  THR  43          HG23      THR  43  44.325  -7.169   9.621
  304    H    THR  44           HN       THR  44  46.873  -8.557  12.133
  305    HA   THR  44           HA       THR  44  48.140  -9.967  13.479
  306    HB   THR  44           HB       THR  44  49.341  -8.163  14.147
  307    HG1  THR  44           HG1      THR  44  48.907  -9.507  16.042
  308   HG21  THR  44          HG21      THR  44  48.362  -6.117  15.120
  309   HG22  THR  44          HG22      THR  44  46.779  -6.890  15.156
  310   HG23  THR  44          HG23      THR  44  47.561  -6.549  13.611
  311    H    GLY  45           HN       GLY  45  46.563  -8.401  16.197
  312    HA2  GLY  45           HA2      GLY  45  45.138 -10.882  16.865
  313    HA3  GLY  45           HA1      GLY  45  46.318 -10.263  18.018
  314    H    ASN  46           HN       ASN  46  44.677  -7.893  16.171
  315    HA   ASN  46           HA       ASN  46  43.363  -6.133  16.903
  316    HB2  ASN  46           HB2      ASN  46  41.489  -7.966  18.257
  317    HB3  ASN  46           HB1      ASN  46  41.196  -6.807  16.962
  318   HD21  ASN  46          HD21      ASN  46  42.435 -10.098  17.604
  319   HD22  ASN  46          HD22      ASN  46  42.211 -10.660  16.018
  320    H    GLY  47           HN       GLY  47  45.394  -7.302  18.827
  321    HA2  GLY  47           HA2      GLY  47  44.426  -5.862  21.186
  322    HA3  GLY  47           HA1      GLY  47  44.905  -7.542  21.401
  323    H    LEU  48           HN       LEU  48  47.122  -7.891  20.017
  324    HA   LEU  48           HA       LEU  48  49.178  -6.836  21.521
  325    HB2  LEU  48           HB2      LEU  48  49.849  -7.287  18.671
  326    HB3  LEU  48           HB1      LEU  48  50.598  -7.944  20.123
  327    HG   LEU  48           HG       LEU  48  48.010  -8.863  18.837
  328   HD11  LEU  48          HD11      LEU  48  49.963  -9.722  17.708
  329   HD12  LEU  48          HD12      LEU  48  49.301 -11.019  18.703
  330   HD13  LEU  48          HD13      LEU  48  50.727 -10.134  19.243
  331   HD21  LEU  48          HD21      LEU  48  48.632 -10.686  20.799
  332   HD22  LEU  48          HD22      LEU  48  47.433  -9.408  20.980
  333   HD23  LEU  48          HD23      LEU  48  49.076  -9.168  21.576
  334    H    VAL  49           HN       VAL  49  47.253  -5.232  19.256
  335    HA   VAL  49           HA       VAL  49  49.210  -3.244  18.475
  336    HB   VAL  49           HB       VAL  49  46.206  -3.334  18.117
  337   HG11  VAL  49          HG11      VAL  49  47.232  -1.730  16.146
  338   HG12  VAL  49          HG12      VAL  49  48.279  -1.321  17.506
  339   HG13  VAL  49          HG13      VAL  49  46.532  -1.130  17.648
  340   HG21  VAL  49          HG21      VAL  49  46.957  -3.843  15.719
  341   HG22  VAL  49          HG22      VAL  49  47.183  -5.138  16.895
  342   HG23  VAL  49          HG23      VAL  49  48.557  -4.151  16.395
  343    H    LEU  50           HN       LEU  50  46.122  -3.073  20.273
  344    HA   LEU  50           HA       LEU  50  47.111  -0.639  21.603
  345    HB2  LEU  50           HB2      LEU  50  44.754  -0.288  22.244
  346    HB3  LEU  50           HB1      LEU  50  44.937  -0.443  20.497
  347    HG   LEU  50           HG       LEU  50  44.576  -3.061  21.286
  348   HD11  LEU  50          HD11      LEU  50  42.813  -3.160  22.885
  349   HD12  LEU  50          HD12      LEU  50  42.556  -1.416  22.821
  350   HD13  LEU  50          HD13      LEU  50  44.007  -2.066  23.584
  351   HD21  LEU  50          HD21      LEU  50  42.601  -0.960  20.356
  352   HD22  LEU  50          HD22      LEU  50  42.215  -2.678  20.425
  353   HD23  LEU  50          HD23      LEU  50  43.498  -2.105  19.359
  354    H    TRP  51           HN       TRP  51  45.874  -3.880  22.242
  355    HA   TRP  51           HA       TRP  51  45.639  -3.699  25.038
  356    HB2  TRP  51           HB2      TRP  51  44.862  -5.588  23.489
  357    HB3  TRP  51           HB1      TRP  51  46.519  -6.185  23.574
  358    HD1  TRP  51           HD1      TRP  51  46.917  -7.853  25.432
  359    HE1  TRP  51           HE1      TRP  51  45.861  -8.358  27.729
  360    HE3  TRP  51           HE3      TRP  51  43.410  -4.145  25.627
  361    HZ2  TRP  51           HZ2      TRP  51  43.802  -7.327  29.426
  362    HZ3  TRP  51           HZ3      TRP  51  41.917  -3.930  27.592
  363    HH2  TRP  51           HH2      TRP  51  42.108  -5.514  29.490
  364    H    THR  52           HN       THR  52  48.334  -3.197  23.219
  365    HA   THR  52           HA       THR  52  50.221  -4.434  25.087
  366    HB   THR  52           HB       THR  52  50.472  -4.397  22.508
  367    HG1  THR  52           HG1      THR  52  52.107  -4.711  24.337
  368   HG21  THR  52          HG21      THR  52  51.716  -1.711  23.058
  369   HG22  THR  52          HG22      THR  52  50.032  -1.840  22.550
  370   HG23  THR  52          HG23      THR  52  51.316  -2.444  21.504
  371    H    VAL  53           HN       VAL  53  48.956  -1.306  24.148
  372    HA   VAL  53           HA       VAL  53  50.914   0.251  25.544
  373    HB   VAL  53           HB       VAL  53  48.150   0.901  24.506
  374   HG11  VAL  53          HG11      VAL  53  49.269   3.310  24.808
  375   HG12  VAL  53          HG12      VAL  53  50.104   2.480  26.123
  376   HG13  VAL  53          HG13      VAL  53  48.342   2.555  26.104
  377   HG21  VAL  53          HG21      VAL  53  49.204   1.572  22.588
  378   HG22  VAL  53          HG22      VAL  53  50.453   0.447  23.124
  379   HG23  VAL  53          HG23      VAL  53  50.616   2.172  23.456
  380    H    PHE  54           HN       PHE  54  47.454  -0.332  26.230
  381    HA   PHE  54           HA       PHE  54  47.418   0.758  28.796
  382    HB2  PHE  54           HB2      PHE  54  45.257   0.267  28.478
  383    HB3  PHE  54           HB1      PHE  54  45.663  -0.819  27.150
  384    HD1  PHE  54           HD2      PHE  54  46.377  -3.201  27.688
  385    HD2  PHE  54           HD1      PHE  54  44.620  -0.579  30.601
  386    HE1  PHE  54           HE2      PHE  54  45.833  -5.154  29.116
  387    HE2  PHE  54           HE1      PHE  54  44.074  -2.532  32.030
  388    HZ   PHE  54           HZ       PHE  54  44.681  -4.819  31.288
  389    H    ARG  55           HN       ARG  55  48.962  -2.060  27.687
  390    HA   ARG  55           HA       ARG  55  49.012  -3.290  30.356
  391    HB2  ARG  55           HB2      ARG  55  48.550  -4.751  28.419
  392    HB3  ARG  55           HB1      ARG  55  50.106  -4.302  27.721
  393    HG2  ARG  55           HG2      ARG  55  51.182  -5.805  29.006
  394    HG3  ARG  55           HG1      ARG  55  50.451  -5.142  30.467
  395    HD2  ARG  55           HD2      ARG  55  49.028  -7.045  28.592
  396    HD3  ARG  55           HD1      ARG  55  49.886  -7.560  30.041
  397    HE   ARG  55           HE       ARG  55  47.910  -5.500  30.523
  398   HH11  ARG  55          HH21      ARG  55  48.562  -8.884  30.207
  399   HH12  ARG  55          HH22      ARG  55  47.207  -9.375  31.168
  400   HH21  ARG  55          HH11      ARG  55  46.132  -6.137  31.784
  401   HH22  ARG  55          HH12      ARG  55  45.832  -7.819  32.061
  402    H    LYS  56           HN       LYS  56  51.132  -1.867  27.911
  403    HA   LYS  56           HA       LYS  56  53.617  -2.414  29.037
  404    HB2  LYS  56           HB2      LYS  56  52.523  -0.339  27.225
  405    HB3  LYS  56           HB1      LYS  56  54.049   0.049  28.020
  406    HG2  LYS  56           HG2      LYS  56  55.054  -2.016  27.194
  407    HG3  LYS  56           HG1      LYS  56  53.517  -2.509  26.481
  408    HD2  LYS  56           HD2      LYS  56  53.610  -0.324  25.143
  409    HD3  LYS  56           HD1      LYS  56  55.293  -0.208  25.658
  410    HE2  LYS  56           HE2      LYS  56  54.048  -2.499  24.111
  411    HE3  LYS  56           HE1      LYS  56  55.187  -1.309  23.479
  412    HZ1  LYS  56           HZ1      LYS  56  55.747  -3.702  24.815
  413    HZ2  LYS  56           HZ2      LYS  56  56.275  -2.424  25.803
  414    HZ3  LYS  56           HZ3      LYS  56  56.842  -2.559  24.206
  415    H    LYS  57           HN       LYS  57  51.091  -0.736  30.437
  416    HA   LYS  57           HA       LYS  57  52.628   1.231  31.887
  417    HB2  LYS  57           HB2      LYS  57  49.840   0.223  32.485
  418    HB3  LYS  57           HB1      LYS  57  50.562   1.741  33.016
  419    HG2  LYS  57           HG2      LYS  57  50.016   0.962  30.134
  420    HG3  LYS  57           HG1      LYS  57  49.071   2.110  31.085
  421    HD2  LYS  57           HD2      LYS  57  51.404   3.278  31.453
  422    HD3  LYS  57           HD1      LYS  57  51.853   2.395  29.994
  423    HE2  LYS  57           HE2      LYS  57  49.496   4.285  30.268
  424    HE3  LYS  57           HE1      LYS  57  51.000   4.627  29.413
  425    HZ1  LYS  57           HZ1      LYS  57  50.342   3.455  27.656
  426    HZ2  LYS  57           HZ2      LYS  57  48.780   3.516  28.322
  427    HZ3  LYS  57           HZ3      LYS  57  49.773   2.166  28.599
  428    H    GLY  58           HN       GLY  58  51.512  -2.049  32.411
  429    HA2  GLY  58           HA2      GLY  58  53.388  -2.626  34.414
  430    HA3  GLY  58           HA1      GLY  58  51.873  -2.199  35.206
  431    H    HIS  59           HN       HIS  59  53.425  -4.459  33.005
  432    HA   HIS  59           HA       HIS  59  51.221  -6.135  32.492
  433    HB2  HIS  59           HB2      HIS  59  52.784  -7.034  31.164
  434    HB3  HIS  59           HB1      HIS  59  54.055  -6.158  32.014
  435    HD2  HIS  59           HD2      HIS  59  55.560  -7.716  33.790
  436    HE1  HIS  59           HE1      HIS  59  53.291 -11.259  33.429
  437    HE2  HIS  59           HE2      HIS  59  55.405 -10.248  34.410
  438    H    HIS  60           HN       HIS  60  52.890  -5.538  35.371
  439    HA   HIS  60           HA       HIS  60  52.222  -8.157  36.524
  440    HB2  HIS  60           HB2      HIS  60  54.094  -5.958  37.222
  441    HB3  HIS  60           HB1      HIS  60  53.391  -6.862  38.563
  442    HD2  HIS  60           HD2      HIS  60  56.325  -7.218  36.206
  443    HE1  HIS  60           HE1      HIS  60  55.417 -11.155  37.432
  444    HE2  HIS  60           HE2      HIS  60  57.143  -9.697  36.271
  445    H    HIS  61           HN       HIS  61  50.996  -5.004  36.258
  446    HA   HIS  61           HA       HIS  61  49.297  -3.862  37.310
  447    HB2  HIS  61           HB2      HIS  61  48.358  -6.671  37.940
  448    HB3  HIS  61           HB1      HIS  61  47.363  -5.215  37.918
  449    HD2  HIS  61           HD2      HIS  61  46.232  -4.728  35.445
  450    HE1  HIS  61           HE1      HIS  61  48.832  -7.110  33.122
  451    HE2  HIS  61           HE2      HIS  61  46.762  -5.640  33.056
  452    H    HIS  62           HN       HIS  62  51.605  -4.121  38.876
  453    HA   HIS  62           HA       HIS  62  50.629  -4.752  41.578
  454    HB2  HIS  62           HB2      HIS  62  53.192  -4.892  40.251
  455    HB3  HIS  62           HB1      HIS  62  53.306  -3.906  41.709
  456    HD2  HIS  62           HD2      HIS  62  53.939  -7.423  41.079
  457    HE1  HIS  62           HE1      HIS  62  51.695  -7.565  44.652
  458    HE2  HIS  62           HE2      HIS  62  53.225  -8.889  43.118
  459    H    HIS  63           HN       HIS  63  50.879  -2.143  39.503
  460    HA   HIS  63           HA       HIS  63  50.508  -0.273  41.722
  461    HB2  HIS  63           HB2      HIS  63  52.650   0.028  39.609
  462    HB3  HIS  63           HB1      HIS  63  52.109   1.342  40.654
  463    HD2  HIS  63           HD2      HIS  63  54.988  -0.909  40.736
  464    HE1  HIS  63           HE1      HIS  63  53.797  -0.799  44.785
  465    HE2  HIS  63           HE2      HIS  63  55.675  -1.438  43.198
  466    H    HIS  64           HN       HIS  64  48.433   0.198  41.151
  467    HA   HIS  64           HA       HIS  64  47.590   0.604  38.448
  468    HB2  HIS  64           HB2      HIS  64  45.484   1.374  39.458
  469    HB3  HIS  64           HB1      HIS  64  46.029  -0.131  40.199
  470    HD2  HIS  64           HD2      HIS  64  44.421   1.039  42.469
  471    HE1  HIS  64           HE1      HIS  64  47.652   3.482  43.658
  472    HE2  HIS  64           HE2      HIS  64  45.406   2.536  44.369
  Start of MODEL   25
    1    H1   MET   1           HT1      MET   1  64.608 -17.664 -19.656
    2    H2   MET   1           HT2      MET   1  65.042 -16.359 -20.655
    3    H3   MET   1           HT3      MET   1  64.181 -17.675 -21.297
    4    HA   MET   1           HA       MET   1  62.618 -16.818 -19.224
    5    HB2  MET   1           HB2      MET   1  62.345 -14.367 -19.930
    6    HB3  MET   1           HB1      MET   1  63.774 -14.749 -18.967
    7    HG2  MET   1           HG2      MET   1  65.211 -14.370 -20.704
    8    HG3  MET   1           HG1      MET   1  64.091 -15.011 -21.905
    9    HE1  MET   1           HE1      MET   1  63.076 -12.064 -23.704
   10    HE2  MET   1           HE2      MET   1  62.717 -13.759 -23.384
   11    HE3  MET   1           HE3      MET   1  64.378 -13.262 -23.692
   12    H    GLU   2           HN       GLU   2  60.499 -16.217 -20.053
   13    HA   GLU   2           HA       GLU   2  60.128 -17.159 -22.819
   14    HB2  GLU   2           HB2      GLU   2  58.089 -16.839 -20.602
   15    HB3  GLU   2           HB1      GLU   2  57.814 -17.585 -22.177
   16    HG2  GLU   2           HG2      GLU   2  59.400 -19.352 -21.682
   17    HG3  GLU   2           HG1      GLU   2  59.864 -18.566 -20.174
   18    H    GLU   3           HN       GLU   3  59.642 -14.423 -20.703
   19    HA   GLU   3           HA       GLU   3  58.834 -12.821 -23.034
   20    HB2  GLU   3           HB2      GLU   3  57.338 -13.110 -20.443
   21    HB3  GLU   3           HB1      GLU   3  57.247 -11.608 -21.365
   22    HG2  GLU   3           HG2      GLU   3  56.732 -14.313 -22.615
   23    HG3  GLU   3           HG1      GLU   3  55.449 -13.346 -21.889
   24    H    GLY   4           HN       GLY   4  58.528 -11.493 -19.879
   25    HA2  GLY   4           HA2      GLY   4  60.753 -10.680 -18.809
   26    HA3  GLY   4           HA1      GLY   4  60.923  -9.848 -20.351
   27    H    GLY   5           HN       GLY   5  58.877  -8.553 -20.981
   28    HA2  GLY   5           HA2      GLY   5  57.008  -7.231 -20.258
   29    HA3  GLY   5           HA1      GLY   5  57.632  -7.312 -18.614
   30    H    ASP   6           HN       ASP   6  59.758  -6.221 -18.239
   31    HA   ASP   6           HA       ASP   6  59.664  -3.552 -19.321
   32    HB2  ASP   6           HB2      ASP   6  61.875  -3.442 -17.887
   33    HB3  ASP   6           HB1      ASP   6  60.299  -3.503 -17.100
   34    H    PHE   7           HN       PHE   7  62.406  -5.819 -19.059
   35    HA   PHE   7           HA       PHE   7  64.066  -6.365 -20.556
   36    HB2  PHE   7           HB2      PHE   7  61.867  -6.075 -22.156
   37    HB3  PHE   7           HB1      PHE   7  62.960  -4.878 -22.848
   38    HD1  PHE   7           HD2      PHE   7  65.606  -6.063 -22.405
   39    HD2  PHE   7           HD1      PHE   7  61.923  -7.932 -23.588
   40    HE1  PHE   7           HE2      PHE   7  66.883  -7.877 -23.510
   41    HE2  PHE   7           HE1      PHE   7  63.202  -9.748 -24.694
   42    HZ   PHE   7           HZ       PHE   7  65.681  -9.720 -24.655
   43    H    ASP   8           HN       ASP   8  64.235  -4.071 -18.914
   44    HA   ASP   8           HA       ASP   8  65.494  -2.176 -18.611
   45    HB2  ASP   8           HB2      ASP   8  67.131  -3.895 -19.706
   46    HB3  ASP   8           HB1      ASP   8  67.008  -2.838 -21.111
   47    H    ASN   9           HN       ASN   9  63.133  -1.613 -19.757
   48    HA   ASN   9           HA       ASN   9  63.783   0.344 -21.885
   49    HB2  ASN   9           HB2      ASN   9  62.227  -1.587 -22.487
   50    HB3  ASN   9           HB1      ASN   9  61.060  -0.856 -21.386
   51   HD21  ASN   9          HD21      ASN   9  59.831  -0.673 -23.590
   52   HD22  ASN   9          HD22      ASN   9  60.110   0.738 -24.492
   53    H    TYR  10           HN       TYR  10  64.265   1.145 -19.347
   54    HA   TYR  10           HA       TYR  10  63.706   2.671 -17.714
   55    HB2  TYR  10           HB2      TYR  10  63.586   3.893 -20.067
   56    HB3  TYR  10           HB1      TYR  10  61.879   4.028 -19.642
   57    HD1  TYR  10           HD2      TYR  10  65.322   4.677 -18.341
   58    HD2  TYR  10           HD1      TYR  10  61.145   5.648 -18.089
   59    HE1  TYR  10           HE2      TYR  10  65.850   6.547 -16.801
   60    HE2  TYR  10           HE1      TYR  10  61.673   7.520 -16.549
   61    HH   TYR  10           HH       TYR  10  64.033   9.014 -16.216
   62    H    TYR  11           HN       TYR  11  61.934   0.300 -18.061
   63    HA   TYR  11           HA       TYR  11  59.353   1.391 -17.177
   64    HB2  TYR  11           HB2      TYR  11  60.163  -0.910 -18.712
   65    HB3  TYR  11           HB1      TYR  11  59.222  -1.430 -17.319
   66    HD1  TYR  11           HD2      TYR  11  59.144   1.509 -19.655
   67    HD2  TYR  11           HD1      TYR  11  56.951  -1.678 -17.789
   68    HE1  TYR  11           HE2      TYR  11  57.073   2.275 -20.781
   69    HE2  TYR  11           HE1      TYR  11  54.880  -0.912 -18.915
   70    HH   TYR  11           HH       TYR  11  53.940   0.825 -20.048
   71    H    GLY  12           HN       GLY  12  61.660   1.542 -15.492
   72    HA2  GLY  12           HA2      GLY  12  62.403   1.012 -13.365
   73    HA3  GLY  12           HA1      GLY  12  60.678   0.952 -13.014
   74    H    ALA  13           HN       ALA  13  63.191  -1.070 -14.548
   75    HA   ALA  13           HA       ALA  13  63.099  -3.220 -12.826
   76    HB1  ALA  13           HB1      ALA  13  60.840  -3.195 -14.769
   77    HB2  ALA  13           HB2      ALA  13  60.914  -3.852 -13.134
   78    HB3  ALA  13           HB3      ALA  13  61.645  -4.735 -14.474
   79    H    ASP  14           HN       ASP  14  65.027  -4.036 -13.305
   80    HA   ASP  14           HA       ASP  14  65.585  -5.214 -15.847
   81    HB2  ASP  14           HB2      ASP  14  65.944  -2.790 -16.367
   82    HB3  ASP  14           HB1      ASP  14  67.213  -2.763 -15.143
   83    H    ASN  15           HN       ASN  15  65.572  -6.251 -13.301
   84    HA   ASN  15           HA       ASN  15  66.828  -7.485 -11.826
   85    HB2  ASN  15           HB2      ASN  15  68.953  -7.305 -13.973
   86    HB3  ASN  15           HB1      ASN  15  68.833  -8.520 -12.702
   87   HD21  ASN  15          HD21      ASN  15  67.414 -10.298 -13.048
   88   HD22  ASN  15          HD22      ASN  15  66.482 -10.483 -14.454
   89    H    GLN  16           HN       GLN  16  67.383  -4.376 -12.429
   90    HA   GLN  16           HA       GLN  16  69.941  -3.765 -11.500
   91    HB2  GLN  16           HB2      GLN  16  69.147  -1.562 -11.125
   92    HB3  GLN  16           HB1      GLN  16  68.187  -2.180 -12.469
   93    HG2  GLN  16           HG2      GLN  16  67.362  -1.893  -9.573
   94    HG3  GLN  16           HG1      GLN  16  66.628  -1.149 -10.991
   95   HE21  GLN  16          HE21      GLN  16  65.850  -3.384  -8.798
   96   HE22  GLN  16          HE22      GLN  16  65.030  -4.515  -9.762
   97    H    SER  17           HN       SER  17  67.190  -4.979  -9.804
   98    HA   SER  17           HA       SER  17  68.643  -5.548  -7.456
   99    HB2  SER  17           HB2      SER  17  68.626  -3.229  -6.913
  100    HB3  SER  17           HB1      SER  17  66.939  -3.055  -7.389
  101    HG   SER  17           HG       SER  17  68.033  -3.913  -5.037
  102    H    GLU  18           HN       GLU  18  66.701  -6.691  -9.330
  103    HA   GLU  18           HA       GLU  18  64.978  -7.948  -7.376
  104    HB2  GLU  18           HB2      GLU  18  63.988  -5.748  -8.936
  105    HB3  GLU  18           HB1      GLU  18  63.168  -7.229  -9.429
  106    HG2  GLU  18           HG2      GLU  18  62.662  -7.724  -7.054
  107    HG3  GLU  18           HG1      GLU  18  63.438  -6.213  -6.586
  108    H    CYS  19           HN       CYS  19  65.420 -10.003  -7.875
  109    HA   CYS  19           HA       CYS  19  64.610 -11.100 -10.390
  110    HB2  CYS  19           HB2      CYS  19  67.117 -12.060 -10.609
  111    HB3  CYS  19           HB1      CYS  19  66.572 -10.608 -11.448
  112    HG   CYS  19           HG       CYS  19  68.488 -10.673  -9.035
  113    H    GLU  20           HN       GLU  20  67.211 -11.999  -8.126
  114    HA   GLU  20           HA       GLU  20  66.029 -14.623  -7.767
  115    HB2  GLU  20           HB2      GLU  20  68.464 -13.377  -6.467
  116    HB3  GLU  20           HB1      GLU  20  68.011 -15.081  -6.402
  117    HG2  GLU  20           HG2      GLU  20  69.225 -15.359  -8.282
  118    HG3  GLU  20           HG1      GLU  20  67.954 -14.473  -9.122
  119    H    TYR  21           HN       TYR  21  64.169 -12.909  -6.890
  120    HA   TYR  21           HA       TYR  21  64.082 -13.491  -4.033
  121    HB2  TYR  21           HB2      TYR  21  64.014 -10.692  -5.160
  122    HB3  TYR  21           HB1      TYR  21  63.334 -11.093  -3.583
  123    HD1  TYR  21           HD1      TYR  21  64.814 -12.094  -1.808
  124    HD2  TYR  21           HD2      TYR  21  66.374 -10.511  -5.485
  125    HE1  TYR  21           HE1      TYR  21  67.078 -11.990  -0.803
  126    HE2  TYR  21           HE2      TYR  21  68.638 -10.407  -4.479
  127    HH   TYR  21           HH       TYR  21  69.494 -12.014  -1.711
  128    H    THR  22           HN       THR  22  62.595 -14.818  -5.768
  129    HA   THR  22           HA       THR  22  60.438 -15.401  -6.297
  130    HB   THR  22           HB       THR  22  58.770 -14.868  -4.750
  131    HG1  THR  22           HG1      THR  22  59.255 -12.499  -5.218
  132   HG21  THR  22          HG21      THR  22  61.064 -15.710  -3.781
  133   HG22  THR  22          HG22      THR  22  59.784 -15.202  -2.680
  134   HG23  THR  22          HG23      THR  22  61.118 -14.108  -3.044
  135    H    ASP  23           HN       ASP  23  61.687 -13.580  -7.994
  136    HA   ASP  23           HA       ASP  23  59.406 -11.897  -8.853
  137    HB2  ASP  23           HB2      ASP  23  60.968 -10.287  -8.236
  138    HB3  ASP  23           HB1      ASP  23  62.338 -11.284  -8.721
  139    H    TRP  24           HN       TRP  24  61.741 -14.295  -9.642
  140    HA   TRP  24           HA       TRP  24  61.982 -14.059 -12.402
  141    HB2  TRP  24           HB2      TRP  24  62.444 -16.456 -12.422
  142    HB3  TRP  24           HB1      TRP  24  63.222 -15.706 -11.030
  143    HD1  TRP  24           HD1      TRP  24  61.687 -15.828  -8.679
  144    HE1  TRP  24           HE1      TRP  24  60.335 -17.835  -7.790
  145    HE3  TRP  24           HE3      TRP  24  61.171 -18.522 -12.986
  146    HZ2  TRP  24           HZ2      TRP  24  59.187 -20.262  -8.775
  147    HZ3  TRP  24           HZ3      TRP  24  59.945 -20.676 -12.982
  148    HH2  TRP  24           HH2      TRP  24  58.953 -21.548 -10.883
  149    H    LYS  25           HN       LYS  25  59.172 -14.441 -10.630
  150    HA   LYS  25           HA       LYS  25  57.704 -15.259 -13.052
  151    HB2  LYS  25           HB2      LYS  25  56.098 -16.402 -11.311
  152    HB3  LYS  25           HB1      LYS  25  57.518 -17.263 -11.902
  153    HG2  LYS  25           HG2      LYS  25  57.323 -17.426  -9.440
  154    HG3  LYS  25           HG1      LYS  25  58.788 -16.565  -9.911
  155    HD2  LYS  25           HD2      LYS  25  57.900 -14.470  -9.302
  156    HD3  LYS  25           HD1      LYS  25  56.238 -15.064  -9.335
  157    HE2  LYS  25           HE2      LYS  25  56.678 -16.459  -7.362
  158    HE3  LYS  25           HE1      LYS  25  58.356 -15.914  -7.338
  159    HZ1  LYS  25           HZ1      LYS  25  56.006 -14.600  -6.376
  160    HZ2  LYS  25           HZ2      LYS  25  56.908 -13.608  -7.419
  161    HZ3  LYS  25           HZ3      LYS  25  57.637 -14.279  -6.039
  162    H    SER  26           HN       SER  26  58.241 -12.929 -10.832
  163    HA   SER  26           HA       SER  26  56.999 -11.209  -9.900
  164    HB2  SER  26           HB2      SER  26  55.644 -10.032 -11.622
  165    HB3  SER  26           HB1      SER  26  57.249 -10.469 -12.198
  166    HG   SER  26           HG       SER  26  55.460 -10.986 -13.639
  167    H    SER  27           HN       SER  27  55.989 -13.160  -8.609
  168    HA   SER  27           HA       SER  27  53.119 -12.669  -8.588
  169    HB2  SER  27           HB2      SER  27  52.405 -14.855  -8.953
  170    HB3  SER  27           HB1      SER  27  53.715 -14.704 -10.119
  171    HG   SER  27           HG       SER  27  54.163 -16.539  -9.036
  172    H    GLY  28           HN       GLY  28  55.501 -12.205  -6.869
  173    HA2  GLY  28           HA2      GLY  28  54.315 -13.126  -4.383
  174    HA3  GLY  28           HA1      GLY  28  55.919 -13.771  -4.717
  175    H    ALA  29           HN       ALA  29  54.804 -10.565  -5.650
  176    HA   ALA  29           HA       ALA  29  56.432  -9.348  -3.523
  177    HB1  ALA  29           HB1      ALA  29  56.679  -8.086  -6.186
  178    HB2  ALA  29           HB2      ALA  29  57.495  -9.639  -6.000
  179    HB3  ALA  29           HB3      ALA  29  57.889  -8.302  -4.920
  180    H    LEU  30           HN       LEU  30  53.598  -9.492  -5.264
  181    HA   LEU  30           HA       LEU  30  52.892  -6.688  -4.626
  182    HB2  LEU  30           HB2      LEU  30  51.678  -8.571  -6.663
  183    HB3  LEU  30           HB1      LEU  30  51.117  -6.932  -6.329
  184    HG   LEU  30           HG       LEU  30  53.997  -7.040  -6.813
  185   HD11  LEU  30          HD11      LEU  30  53.789  -7.462  -9.254
  186   HD12  LEU  30          HD12      LEU  30  52.099  -7.907  -9.016
  187   HD13  LEU  30          HD13      LEU  30  53.379  -8.889  -8.301
  188   HD21  LEU  30          HD21      LEU  30  53.434  -5.174  -8.305
  189   HD22  LEU  30          HD22      LEU  30  52.581  -4.992  -6.770
  190   HD23  LEU  30          HD23      LEU  30  51.720  -5.581  -8.193
  191    H    ILE  31           HN       ILE  31  52.108 -10.047  -4.152
  192    HA   ILE  31           HA       ILE  31  49.567  -9.452  -2.876
  193    HB   ILE  31           HB       ILE  31  51.041 -11.939  -3.622
  194   HG12  ILE  31          HG12      ILE  31  48.875 -12.481  -4.603
  195   HG13  ILE  31          HG11      ILE  31  48.138 -11.086  -3.815
  196   HG21  ILE  31          HG21      ILE  31  50.548 -12.541  -1.375
  197   HG22  ILE  31          HG22      ILE  31  49.201 -13.181  -2.315
  198   HG23  ILE  31          HG23      ILE  31  49.004 -11.685  -1.403
  199   HD11  ILE  31          HD11      ILE  31  49.196  -9.562  -5.219
  200   HD12  ILE  31          HD12      ILE  31  48.941 -10.913  -6.324
  201   HD13  ILE  31          HD13      ILE  31  50.523 -10.665  -5.585
  202    HA   PRO  32           HA       PRO  32  52.091 -10.549   0.978
  203    HB2  PRO  32           HB2      PRO  32  54.795 -10.613   0.868
  204    HB3  PRO  32           HB1      PRO  32  53.794 -11.999   0.397
  205    HG2  PRO  32           HG2      PRO  32  55.308 -10.113  -1.285
  206    HG3  PRO  32           HG1      PRO  32  54.846 -11.792  -1.598
  207    HD2  PRO  32           HD2      PRO  32  53.563  -9.441  -2.585
  208    HD3  PRO  32           HD1      PRO  32  53.024 -11.120  -2.779
  209    H    ALA  33           HN       ALA  33  51.801  -7.917  -0.543
  210    HA   ALA  33           HA       ALA  33  53.279  -6.258   1.398
  211    HB1  ALA  33           HB1      ALA  33  54.583  -5.857  -0.490
  212    HB2  ALA  33           HB2      ALA  33  53.387  -4.565  -0.592
  213    HB3  ALA  33           HB3      ALA  33  53.213  -6.009  -1.591
  214    H    ILE  34           HN       ILE  34  50.388  -7.280   0.641
  215    HA   ILE  34           HA       ILE  34  49.088  -4.805   1.470
  216    HB   ILE  34           HB       ILE  34  47.341  -5.583  -0.478
  217   HG12  ILE  34          HG12      ILE  34  50.130  -5.846  -1.641
  218   HG13  ILE  34          HG11      ILE  34  49.071  -7.216  -1.303
  219   HG21  ILE  34          HG21      ILE  34  48.065  -3.287  -0.002
  220   HG22  ILE  34          HG22      ILE  34  48.213  -3.621  -1.726
  221   HG23  ILE  34          HG23      ILE  34  49.648  -3.625  -0.701
  222   HD11  ILE  34          HD11      ILE  34  47.940  -6.878  -3.218
  223   HD12  ILE  34          HD12      ILE  34  49.108  -5.623  -3.635
  224   HD13  ILE  34          HD13      ILE  34  47.626  -5.199  -2.778
  225    H    TYR  35           HN       TYR  35  48.577  -8.156   0.379
  226    HA   TYR  35           HA       TYR  35  46.186  -8.505   1.921
  227    HB2  TYR  35           HB2      TYR  35  47.997 -10.320   0.360
  228    HB3  TYR  35           HB1      TYR  35  46.755 -11.001   1.411
  229    HD1  TYR  35           HD2      TYR  35  44.341 -10.274   1.092
  230    HD2  TYR  35           HD1      TYR  35  47.437  -9.378  -1.748
  231    HE1  TYR  35           HE2      TYR  35  42.623  -9.811  -0.635
  232    HE2  TYR  35           HE1      TYR  35  45.719  -8.916  -3.475
  233    HH   TYR  35           HH       TYR  35  43.547  -8.713  -3.898
  234    H    MET  36           HN       MET  36  49.023  -7.825   3.092
  235    HA   MET  36           HA       MET  36  48.785  -9.696   5.371
  236    HB2  MET  36           HB2      MET  36  51.415  -8.591   4.385
  237    HB3  MET  36           HB1      MET  36  51.145  -9.891   5.546
  238    HG2  MET  36           HG2      MET  36  50.459  -9.967   2.593
  239    HG3  MET  36           HG1      MET  36  51.780 -10.835   3.375
  240    HE1  MET  36           HE1      MET  36  50.570 -12.422   1.782
  241    HE2  MET  36           HE2      MET  36  48.845 -12.084   1.668
  242    HE3  MET  36           HE3      MET  36  49.393 -13.611   2.357
  243    H    LEU  37           HN       LEU  37  49.776  -6.514   4.200
  244    HA   LEU  37           HA       LEU  37  50.522  -5.326   6.609
  245    HB2  LEU  37           HB2      LEU  37  49.333  -4.271   4.063
  246    HB3  LEU  37           HB1      LEU  37  49.564  -3.195   5.441
  247    HG   LEU  37           HG       LEU  37  51.947  -3.801   5.531
  248   HD11  LEU  37          HD11      LEU  37  52.002  -6.035   4.738
  249   HD12  LEU  37          HD12      LEU  37  52.809  -5.103   3.477
  250   HD13  LEU  37          HD13      LEU  37  51.137  -5.618   3.259
  251   HD21  LEU  37          HD21      LEU  37  52.536  -2.933   3.149
  252   HD22  LEU  37          HD22      LEU  37  51.580  -1.887   4.199
  253   HD23  LEU  37          HD23      LEU  37  50.791  -2.817   2.924
  254    H    VAL  38           HN       VAL  38  47.568  -6.671   5.842
  255    HA   VAL  38           HA       VAL  38  46.261  -5.192   8.035
  256    HB   VAL  38           HB       VAL  38  44.418  -6.075   5.942
  257   HG11  VAL  38          HG11      VAL  38  44.893  -3.321   7.103
  258   HG12  VAL  38          HG12      VAL  38  43.992  -4.571   7.960
  259   HG13  VAL  38          HG13      VAL  38  43.400  -3.960   6.415
  260   HG21  VAL  38          HG21      VAL  38  45.013  -4.180   4.412
  261   HG22  VAL  38          HG22      VAL  38  46.241  -5.445   4.452
  262   HG23  VAL  38          HG23      VAL  38  46.493  -3.944   5.342
  263    H    PHE  39           HN       PHE  39  45.898  -7.992   5.849
  264    HA   PHE  39           HA       PHE  39  44.221  -9.526   7.464
  265    HB2  PHE  39           HB2      PHE  39  45.424  -9.872   5.024
  266    HB3  PHE  39           HB1      PHE  39  46.257 -11.070   6.014
  267    HD1  PHE  39           HD1      PHE  39  42.949  -9.929   4.798
  268    HD2  PHE  39           HD2      PHE  39  45.106 -12.993   6.898
  269    HE1  PHE  39           HE1      PHE  39  40.960 -11.407   4.685
  270    HE2  PHE  39           HE2      PHE  39  43.118 -14.471   6.785
  271    HZ   PHE  39           HZ       PHE  39  41.045 -13.678   5.678
  272    H    LEU  40           HN       LEU  40  47.561  -8.766   7.835
  273    HA   LEU  40           HA       LEU  40  47.670 -10.505  10.212
  274    HB2  LEU  40           HB2      LEU  40  49.665 -10.362   7.961
  275    HB3  LEU  40           HB1      LEU  40  50.146 -10.861   9.584
  276    HG   LEU  40           HG       LEU  40  47.718 -12.143   8.419
  277   HD11  LEU  40          HD11      LEU  40  50.562 -12.683   7.529
  278   HD12  LEU  40          HD12      LEU  40  49.168 -12.309   6.515
  279   HD13  LEU  40          HD13      LEU  40  49.261 -13.860   7.348
  280   HD21  LEU  40          HD21      LEU  40  48.552 -12.629  10.714
  281   HD22  LEU  40          HD22      LEU  40  50.078 -13.180  10.023
  282   HD23  LEU  40          HD23      LEU  40  48.588 -14.059   9.683
  283    H    LEU  41           HN       LEU  41  47.023  -7.969  10.568
  284    HA   LEU  41           HA       LEU  41  49.499  -6.754  11.610
  285    HB2  LEU  41           HB2      LEU  41  48.064  -5.738   9.439
  286    HB3  LEU  41           HB1      LEU  41  47.525  -4.769  10.808
  287    HG   LEU  41           HG       LEU  41  49.475  -3.709   9.811
  288   HD11  LEU  41          HD11      LEU  41  50.429  -3.215  11.812
  289   HD12  LEU  41          HD12      LEU  41  50.826  -4.899  12.148
  290   HD13  LEU  41          HD13      LEU  41  49.202  -4.294  12.472
  291   HD21  LEU  41          HD21      LEU  41  51.523  -5.618  10.445
  292   HD22  LEU  41          HD22      LEU  41  51.108  -4.939   8.872
  293   HD23  LEU  41          HD23      LEU  41  50.311  -6.407   9.435
  294    H    GLY  42           HN       GLY  42  45.943  -6.712  11.660
  295    HA2  GLY  42           HA2      GLY  42  45.992  -5.695  14.416
  296    HA3  GLY  42           HA1      GLY  42  44.577  -5.789  13.374
  297    H    THR  43           HN       THR  43  46.890  -8.397  13.872
  298    HA   THR  43           HA       THR  43  45.350  -9.781  15.845
  299    HB   THR  43           HB       THR  43  44.003 -10.000  13.646
  300    HG1  THR  43           HG1      THR  43  44.645 -12.536  14.526
  301   HG21  THR  43          HG21      THR  43  44.786 -11.483  12.001
  302   HG22  THR  43          HG22      THR  43  46.011 -12.168  13.070
  303   HG23  THR  43          HG23      THR  43  46.224 -10.547  12.409
  304    H    THR  44           HN       THR  44  47.807  -9.771  13.353
  305    HA   THR  44           HA       THR  44  49.140 -12.121  13.643
  306    HB   THR  44           HB       THR  44  50.099 -10.599  12.140
  307    HG1  THR  44           HG1      THR  44  51.635 -10.874  14.483
  308   HG21  THR  44          HG21      THR  44  49.141  -8.556  13.069
  309   HG22  THR  44          HG22      THR  44  50.876  -8.338  12.845
  310   HG23  THR  44          HG23      THR  44  50.228  -8.648  14.456
  311    H    GLY  45           HN       GLY  45  48.705  -9.694  16.062
  312    HA2  GLY  45           HA2      GLY  45  49.205 -11.093  18.295
  313    HA3  GLY  45           HA1      GLY  45  50.838 -10.681  17.777
  314    H    ASN  46           HN       ASN  46  48.946  -8.252  16.660
  315    HA   ASN  46           HA       ASN  46  49.924  -6.346  18.528
  316    HB2  ASN  46           HB2      ASN  46  49.311  -4.903  16.929
  317    HB3  ASN  46           HB1      ASN  46  48.733  -6.281  15.994
  318   HD21  ASN  46          HD21      ASN  46  46.412  -7.073  16.967
  319   HD22  ASN  46          HD22      ASN  46  45.299  -5.808  17.174
  320    H    GLY  47           HN       GLY  47  47.570  -8.602  18.925
  321    HA2  GLY  47           HA2      GLY  47  45.698  -6.933  20.423
  322    HA3  GLY  47           HA1      GLY  47  45.539  -8.659  20.110
  323    H    LEU  48           HN       LEU  48  48.492  -8.855  20.973
  324    HA   LEU  48           HA       LEU  48  48.159  -8.496  23.874
  325    HB2  LEU  48           HB2      LEU  48  49.274 -10.829  24.075
  326    HB3  LEU  48           HB1      LEU  48  47.546 -10.754  23.721
  327    HG   LEU  48           HG       LEU  48  49.347 -10.695  21.365
  328   HD11  LEU  48          HD11      LEU  48  50.488 -12.364  22.756
  329   HD12  LEU  48          HD12      LEU  48  49.645 -13.161  21.428
  330   HD13  LEU  48          HD13      LEU  48  48.956 -13.186  23.052
  331   HD21  LEU  48          HD21      LEU  48  46.985 -12.495  21.894
  332   HD22  LEU  48          HD22      LEU  48  47.558 -11.852  20.355
  333   HD23  LEU  48          HD23      LEU  48  46.750 -10.790  21.507
  334    H    VAL  49           HN       VAL  49  49.768  -7.265  21.636
  335    HA   VAL  49           HA       VAL  49  52.382  -7.508  22.971
  336    HB   VAL  49           HB       VAL  49  51.933  -7.572  19.978
  337   HG11  VAL  49          HG11      VAL  49  53.961  -6.565  19.921
  338   HG12  VAL  49          HG12      VAL  49  54.598  -8.104  20.499
  339   HG13  VAL  49          HG13      VAL  49  54.225  -6.818  21.647
  340   HG21  VAL  49          HG21      VAL  49  51.537  -9.735  21.057
  341   HG22  VAL  49          HG22      VAL  49  53.059  -9.598  21.938
  342   HG23  VAL  49          HG23      VAL  49  53.069  -9.784  20.185
  343    H    LEU  50           HN       LEU  50  50.245  -5.686  20.825
  344    HA   LEU  50           HA       LEU  50  51.826  -3.250  21.316
  345    HB2  LEU  50           HB2      LEU  50  51.304  -3.734  18.972
  346    HB3  LEU  50           HB1      LEU  50  49.582  -3.781  19.353
  347    HG   LEU  50           HG       LEU  50  50.853  -1.340  20.326
  348   HD11  LEU  50          HD11      LEU  50  50.964  -2.006  17.373
  349   HD12  LEU  50          HD12      LEU  50  52.308  -1.536  18.413
  350   HD13  LEU  50          HD13      LEU  50  51.060  -0.361  17.999
  351   HD21  LEU  50          HD21      LEU  50  48.631  -1.762  18.307
  352   HD22  LEU  50          HD22      LEU  50  48.908  -0.333  19.303
  353   HD23  LEU  50          HD23      LEU  50  48.388  -1.843  20.052
  354    H    TRP  51           HN       TRP  51  48.426  -4.337  21.300
  355    HA   TRP  51           HA       TRP  51  47.174  -2.145  22.361
  356    HB2  TRP  51           HB2      TRP  51  45.492  -3.617  22.199
  357    HB3  TRP  51           HB1      TRP  51  46.621  -4.972  22.186
  358    HD1  TRP  51           HD1      TRP  51  46.915  -6.334  24.363
  359    HE1  TRP  51           HE1      TRP  51  45.838  -6.233  26.704
  360    HE3  TRP  51           HE3      TRP  51  44.476  -1.861  24.021
  361    HZ2  TRP  51           HZ2      TRP  51  44.166  -4.485  28.229
  362    HZ3  TRP  51           HZ3      TRP  51  43.151  -1.002  25.930
  363    HH2  TRP  51           HH2      TRP  51  42.992  -2.308  28.033
  364    H    THR  52           HN       THR  52  49.565  -4.070  23.859
  365    HA   THR  52           HA       THR  52  48.890  -3.778  26.582
  366    HB   THR  52           HB       THR  52  50.626  -5.333  25.811
  367    HG1  THR  52           HG1      THR  52  52.238  -3.718  27.273
  368   HG21  THR  52          HG21      THR  52  52.674  -4.620  24.870
  369   HG22  THR  52          HG22      THR  52  52.415  -2.946  25.362
  370   HG23  THR  52          HG23      THR  52  51.459  -3.639  24.051
  371    H    VAL  53           HN       VAL  53  50.568  -1.662  24.318
  372    HA   VAL  53           HA       VAL  53  51.707   0.190  26.028
  373    HB   VAL  53           HB       VAL  53  50.266   0.868  23.457
  374   HG11  VAL  53          HG11      VAL  53  52.123   2.571  23.340
  375   HG12  VAL  53          HG12      VAL  53  52.570   2.112  24.983
  376   HG13  VAL  53          HG13      VAL  53  50.991   2.833  24.666
  377   HG21  VAL  53          HG21      VAL  53  51.739  -0.479  22.408
  378   HG22  VAL  53          HG22      VAL  53  52.492  -0.901  23.945
  379   HG23  VAL  53          HG23      VAL  53  53.047   0.513  23.049
  380    H    PHE  54           HN       PHE  54  48.339  -0.237  25.145
  381    HA   PHE  54           HA       PHE  54  47.527   2.219  26.485
  382    HB2  PHE  54           HB2      PHE  54  46.351   0.353  24.592
  383    HB3  PHE  54           HB1      PHE  54  45.241   0.728  25.910
  384    HD1  PHE  54           HD2      PHE  54  47.569   2.363  23.475
  385    HD2  PHE  54           HD1      PHE  54  44.046   2.749  25.904
  386    HE1  PHE  54           HE2      PHE  54  47.112   4.581  22.462
  387    HE2  PHE  54           HE1      PHE  54  43.589   4.966  24.890
  388    HZ   PHE  54           HZ       PHE  54  45.122   5.882  23.170
  389    H    ARG  55           HN       ARG  55  48.720  -0.342  27.787
  390    HA   ARG  55           HA       ARG  55  46.773  -0.408  30.002
  391    HB2  ARG  55           HB2      ARG  55  46.397  -2.457  28.775
  392    HB3  ARG  55           HB1      ARG  55  48.127  -2.799  28.737
  393    HG2  ARG  55           HG2      ARG  55  48.203  -3.400  30.964
  394    HG3  ARG  55           HG1      ARG  55  46.851  -2.355  31.401
  395    HD2  ARG  55           HD2      ARG  55  45.308  -3.900  30.202
  396    HD3  ARG  55           HD1      ARG  55  46.670  -4.965  29.868
  397    HE   ARG  55           HE       ARG  55  45.348  -4.571  32.428
  398   HH11  ARG  55          HH21      ARG  55  48.080  -5.760  30.672
  399   HH12  ARG  55          HH22      ARG  55  48.561  -6.875  31.906
  400   HH21  ARG  55          HH11      ARG  55  45.971  -6.034  34.051
  401   HH22  ARG  55          HH12      ARG  55  47.368  -7.030  33.818
  402    H    LYS  56           HN       LYS  56  50.078  -0.878  28.870
  403    HA   LYS  56           HA       LYS  56  51.379  -1.493  31.236
  404    HB2  LYS  56           HB2      LYS  56  52.400   0.397  29.104
  405    HB3  LYS  56           HB1      LYS  56  53.373  -0.539  30.239
  406    HG2  LYS  56           HG2      LYS  56  51.746  -2.455  29.056
  407    HG3  LYS  56           HG1      LYS  56  52.148  -1.376  27.720
  408    HD2  LYS  56           HD2      LYS  56  54.131  -2.688  29.602
  409    HD3  LYS  56           HD1      LYS  56  53.843  -3.143  27.922
  410    HE2  LYS  56           HE2      LYS  56  54.315  -0.473  27.647
  411    HE3  LYS  56           HE1      LYS  56  55.357  -0.851  29.019
  412    HZ1  LYS  56           HZ1      LYS  56  56.752  -1.402  27.343
  413    HZ2  LYS  56           HZ2      LYS  56  55.502  -1.786  26.258
  414    HZ3  LYS  56           HZ3      LYS  56  55.945  -2.889  27.473
  415    H    LYS  57           HN       LYS  57  50.401   1.689  30.008
  416    HA   LYS  57           HA       LYS  57  51.599   3.316  31.921
  417    HB2  LYS  57           HB2      LYS  57  48.844   3.775  30.767
  418    HB3  LYS  57           HB1      LYS  57  49.998   4.990  31.316
  419    HG2  LYS  57           HG2      LYS  57  51.583   4.189  29.534
  420    HG3  LYS  57           HG1      LYS  57  50.293   3.150  28.926
  421    HD2  LYS  57           HD2      LYS  57  48.867   5.096  28.528
  422    HD3  LYS  57           HD1      LYS  57  50.092   6.161  29.218
  423    HE2  LYS  57           HE2      LYS  57  51.681   5.422  27.441
  424    HE3  LYS  57           HE1      LYS  57  50.387   4.465  26.721
  425    HZ1  LYS  57           HZ1      LYS  57  50.137   7.373  27.228
  426    HZ2  LYS  57           HZ2      LYS  57  49.142   6.390  26.262
  427    HZ3  LYS  57           HZ3      LYS  57  50.728   6.747  25.767
  428    H    GLY  58           HN       GLY  58  49.273   0.923  32.388
  429    HA2  GLY  58           HA2      GLY  58  49.070   1.428  35.184
  430    HA3  GLY  58           HA1      GLY  58  47.582   1.892  34.362
  431    H    HIS  59           HN       HIS  59  49.220  -0.631  35.824
  432    HA   HIS  59           HA       HIS  59  47.138  -2.500  35.347
  433    HB2  HIS  59           HB2      HIS  59  48.227  -4.114  33.973
  434    HB3  HIS  59           HB1      HIS  59  48.416  -2.567  33.148
  435    HD2  HIS  59           HD2      HIS  59  51.061  -1.316  34.344
  436    HE1  HIS  59           HE1      HIS  59  52.869  -5.113  33.975
  437    HE2  HIS  59           HE2      HIS  59  53.315  -2.633  34.290
  438    H    HIS  60           HN       HIS  60  50.551  -2.062  36.194
  439    HA   HIS  60           HA       HIS  60  50.106  -3.345  38.755
  440    HB2  HIS  60           HB2      HIS  60  51.826  -4.600  36.620
  441    HB3  HIS  60           HB1      HIS  60  52.091  -4.914  38.335
  442    HD2  HIS  60           HD2      HIS  60  49.502  -5.802  35.536
  443    HE1  HIS  60           HE1      HIS  60  48.294  -7.755  39.079
  444    HE2  HIS  60           HE2      HIS  60  47.859  -7.539  36.587
  445    H    HIS  61           HN       HIS  61  50.754  -0.721  38.162
  446    HA   HIS  61           HA       HIS  61  52.348   0.932  38.453
  447    HB2  HIS  61           HB2      HIS  61  51.848   0.099  40.762
  448    HB3  HIS  61           HB1      HIS  61  53.251  -0.961  40.634
  449    HD2  HIS  61           HD2      HIS  61  52.653   2.976  40.326
  450    HE1  HIS  61           HE1      HIS  61  56.511   2.260  41.882
  451    HE2  HIS  61           HE2      HIS  61  54.838   4.063  41.253
  452    H    HIS  62           HN       HIS  62  53.380   0.348  36.380
  453    HA   HIS  62           HA       HIS  62  56.205  -0.195  36.798
  454    HB2  HIS  62           HB2      HIS  62  54.752  -2.387  36.263
  455    HB3  HIS  62           HB1      HIS  62  55.001  -1.812  34.614
  456    HD2  HIS  62           HD2      HIS  62  58.144  -0.650  35.264
  457    HE1  HIS  62           HE1      HIS  62  58.913  -4.735  35.999
  458    HE2  HIS  62           HE2      HIS  62  59.985  -2.485  35.515
  459    H    HIS  63           HN       HIS  63  57.138   1.450  35.776
  460    HA   HIS  63           HA       HIS  63  56.215   2.144  33.066
  461    HB2  HIS  63           HB2      HIS  63  55.455   3.745  34.987
  462    HB3  HIS  63           HB1      HIS  63  57.137   4.280  34.958
  463    HD2  HIS  63           HD2      HIS  63  57.029   3.740  31.451
  464    HE1  HIS  63           HE1      HIS  63  54.692   7.243  31.748
  465    HE2  HIS  63           HE2      HIS  63  55.998   5.758  30.155
  466    H    HIS  64           HN       HIS  64  58.128   4.383  33.143
  467    HA   HIS  64           HA       HIS  64  60.507   2.842  32.426
  468    HB2  HIS  64           HB2      HIS  64  59.305   5.341  31.575
  469    HB3  HIS  64           HB1      HIS  64  61.013   5.552  31.963
  470    HD2  HIS  64           HD2      HIS  64  59.387   2.385  30.176
  471    HE1  HIS  64           HE1      HIS  64  62.395   3.992  27.687
  472    HE2  HIS  64           HE2      HIS  64  60.722   2.100  27.950
  Start of MODEL   26
    1    H1   MET   1           HT1      MET   1  51.327 -11.107 -12.297
    2    H2   MET   1           HT2      MET   1  52.415  -9.807 -12.416
    3    H3   MET   1           HT3      MET   1  50.942  -9.612 -11.593
    4    HA   MET   1           HA       MET   1  51.634 -11.168  -9.896
    5    HB2  MET   1           HB2      MET   1  53.879 -11.507 -11.836
    6    HB3  MET   1           HB1      MET   1  54.259 -11.630 -10.118
    7    HG2  MET   1           HG2      MET   1  52.560 -13.359  -9.826
    8    HG3  MET   1           HG1      MET   1  52.069 -13.195 -11.512
    9    HE1  MET   1           HE1      MET   1  54.850 -13.688  -9.098
   10    HE2  MET   1           HE2      MET   1  55.863 -14.978  -9.741
   11    HE3  MET   1           HE3      MET   1  54.244 -15.349  -9.153
   12    H    GLU   2           HN       GLU   2  53.026  -8.480 -11.565
   13    HA   GLU   2           HA       GLU   2  54.084  -6.562 -10.853
   14    HB2  GLU   2           HB2      GLU   2  52.138  -7.221  -8.667
   15    HB3  GLU   2           HB1      GLU   2  53.229  -5.848  -8.483
   16    HG2  GLU   2           HG2      GLU   2  52.403  -4.829 -10.509
   17    HG3  GLU   2           HG1      GLU   2  51.463  -6.266 -10.908
   18    H    GLU   3           HN       GLU   3  56.021  -8.141 -10.800
   19    HA   GLU   3           HA       GLU   3  57.062  -8.464  -8.065
   20    HB2  GLU   3           HB2      GLU   3  58.851  -9.820  -9.266
   21    HB3  GLU   3           HB1      GLU   3  57.221 -10.493  -9.302
   22    HG2  GLU   3           HG2      GLU   3  56.899  -9.954 -11.544
   23    HG3  GLU   3           HG1      GLU   3  58.092  -8.657 -11.509
   24    H    GLY   4           HN       GLY   4  57.032  -6.135 -10.313
   25    HA2  GLY   4           HA2      GLY   4  59.877  -5.418 -10.102
   26    HA3  GLY   4           HA1      GLY   4  58.701  -4.675 -11.183
   27    H    GLY   5           HN       GLY   5  58.478  -5.291  -7.691
   28    HA2  GLY   5           HA2      GLY   5  58.364  -3.836  -5.895
   29    HA3  GLY   5           HA1      GLY   5  58.917  -2.548  -6.961
   30    H    ASP   6           HN       ASP   6  57.006  -1.939  -5.136
   31    HA   ASP   6           HA       ASP   6  54.375  -2.158  -6.367
   32    HB2  ASP   6           HB2      ASP   6  55.351  -1.761  -3.736
   33    HB3  ASP   6           HB1      ASP   6  54.437  -0.318  -4.170
   34    H    PHE   7           HN       PHE   7  57.022  -0.231  -6.819
   35    HA   PHE   7           HA       PHE   7  57.262   1.618  -8.183
   36    HB2  PHE   7           HB2      PHE   7  54.839   0.866  -8.957
   37    HB3  PHE   7           HB1      PHE   7  54.356   2.310  -8.069
   38    HD1  PHE   7           HD2      PHE   7  56.730   1.103 -10.690
   39    HD2  PHE   7           HD1      PHE   7  54.613   4.448  -9.026
   40    HE1  PHE   7           HE2      PHE   7  57.474   2.518 -12.587
   41    HE2  PHE   7           HE1      PHE   7  55.357   5.863 -10.923
   42    HZ   PHE   7           HZ       PHE   7  56.788   4.898 -12.702
   43    H    ASP   8           HN       ASP   8  58.245   2.199  -6.056
   44    HA   ASP   8           HA       ASP   8  58.713   3.817  -4.504
   45    HB2  ASP   8           HB2      ASP   8  57.882   5.236  -6.515
   46    HB3  ASP   8           HB1      ASP   8  56.428   5.458  -5.542
   47    H    ASN   9           HN       ASN   9  57.552   1.883  -3.320
   48    HA   ASN   9           HA       ASN   9  55.016   2.647  -2.105
   49    HB2  ASN   9           HB2      ASN   9  56.166   0.219  -2.681
   50    HB3  ASN   9           HB1      ASN   9  56.452   0.366  -0.948
   51   HD21  ASN   9          HD21      ASN   9  53.689   1.393  -3.038
   52   HD22  ASN   9          HD22      ASN   9  52.513   0.593  -2.112
   53    H    TYR  10           HN       TYR  10  58.381   2.110  -1.085
   54    HA   TYR  10           HA       TYR  10  57.885   3.886   1.212
   55    HB2  TYR  10           HB2      TYR  10  58.965   1.093   1.258
   56    HB3  TYR  10           HB1      TYR  10  59.558   2.268   2.430
   57    HD1  TYR  10           HD2      TYR  10  57.980   3.387   4.000
   58    HD2  TYR  10           HD1      TYR  10  56.724   0.223   1.380
   59    HE1  TYR  10           HE2      TYR  10  55.920   3.085   5.350
   60    HE2  TYR  10           HE1      TYR  10  54.665  -0.079   2.730
   61    HH   TYR  10           HH       TYR  10  53.261   1.375   4.286
   62    H    TYR  11           HN       TYR  11  60.698   1.961   0.205
   63    HA   TYR  11           HA       TYR  11  62.233   4.466   0.027
   64    HB2  TYR  11           HB2      TYR  11  64.087   3.331   0.769
   65    HB3  TYR  11           HB1      TYR  11  62.838   2.345   1.526
   66    HD1  TYR  11           HD2      TYR  11  61.743   0.747  -0.622
   67    HD2  TYR  11           HD1      TYR  11  65.817   1.927   0.063
   68    HE1  TYR  11           HE2      TYR  11  62.533  -1.225  -1.902
   69    HE2  TYR  11           HE1      TYR  11  66.605  -0.044  -1.217
   70    HH   TYR  11           HH       TYR  11  65.967  -1.700  -2.615
   71    H    GLY  12           HN       GLY  12  60.459   3.393  -2.030
   72    HA2  GLY  12           HA2      GLY  12  61.044   4.051  -4.370
   73    HA3  GLY  12           HA1      GLY  12  62.426   2.975  -4.204
   74    H    ALA  13           HN       ALA  13  60.192   1.405  -2.514
   75    HA   ALA  13           HA       ALA  13  58.222   0.401  -4.114
   76    HB1  ALA  13           HB1      ALA  13  59.624  -1.770  -4.862
   77    HB2  ALA  13           HB2      ALA  13  60.897  -0.554  -4.968
   78    HB3  ALA  13           HB3      ALA  13  59.414  -0.363  -5.902
   79    H    ASP  14           HN       ASP  14  60.890  -0.500  -2.000
   80    HA   ASP  14           HA       ASP  14  60.826  -1.580   0.043
   81    HB2  ASP  14           HB2      ASP  14  58.318  -0.730  -0.057
   82    HB3  ASP  14           HB1      ASP  14  57.983  -2.439  -0.309
   83    H    ASN  15           HN       ASN  15  62.176  -2.941  -1.482
   84    HA   ASN  15           HA       ASN  15  61.446  -5.166  -2.861
   85    HB2  ASN  15           HB2      ASN  15  63.592  -6.220  -1.827
   86    HB3  ASN  15           HB1      ASN  15  63.743  -4.766  -2.814
   87   HD21  ASN  15          HD21      ASN  15  64.848  -6.056   0.027
   88   HD22  ASN  15          HD22      ASN  15  65.114  -4.627   0.904
   89    H    GLN  16           HN       GLN  16  59.738  -6.385  -2.216
   90    HA   GLN  16           HA       GLN  16  59.408  -7.267   0.507
   91    HB2  GLN  16           HB2      GLN  16  57.493  -8.527  -0.380
   92    HB3  GLN  16           HB1      GLN  16  57.466  -6.857  -0.946
   93    HG2  GLN  16           HG2      GLN  16  59.010  -8.240  -2.837
   94    HG3  GLN  16           HG1      GLN  16  57.649  -9.305  -2.490
   95   HE21  GLN  16          HE21      GLN  16  58.281  -5.818  -3.193
   96   HE22  GLN  16          HE22      GLN  16  56.864  -5.601  -4.102
   97    H    SER  17           HN       SER  17  61.922  -8.001  -0.690
   98    HA   SER  17           HA       SER  17  63.319  -9.835  -0.456
   99    HB2  SER  17           HB2      SER  17  61.075 -11.778  -0.255
  100    HB3  SER  17           HB1      SER  17  62.600 -11.726   0.622
  101    HG   SER  17           HG       SER  17  60.171 -10.579   1.200
  102    H    GLU  18           HN       GLU  18  62.387  -8.813  -2.919
  103    HA   GLU  18           HA       GLU  18  61.617 -10.969  -4.659
  104    HB2  GLU  18           HB2      GLU  18  61.567  -8.217  -4.826
  105    HB3  GLU  18           HB1      GLU  18  62.880  -8.650  -5.923
  106    HG2  GLU  18           HG2      GLU  18  60.897  -8.707  -7.246
  107    HG3  GLU  18           HG1      GLU  18  61.295 -10.391  -6.912
  108    H    CYS  19           HN       CYS  19  64.174 -11.090  -3.004
  109    HA   CYS  19           HA       CYS  19  65.810 -12.255  -5.098
  110    HB2  CYS  19           HB2      CYS  19  66.374  -9.728  -4.880
  111    HB3  CYS  19           HB1      CYS  19  67.141 -10.193  -3.362
  112    HG   CYS  19           HG       CYS  19  69.069 -10.799  -4.805
  113    H    GLU  20           HN       GLU  20  64.647 -13.740  -3.284
  114    HA   GLU  20           HA       GLU  20  66.263 -14.021  -0.887
  115    HB2  GLU  20           HB2      GLU  20  63.921 -15.582  -1.990
  116    HB3  GLU  20           HB1      GLU  20  64.750 -16.005  -0.492
  117    HG2  GLU  20           HG2      GLU  20  64.095 -13.170  -0.589
  118    HG3  GLU  20           HG1      GLU  20  62.657 -14.175  -0.759
  119    H    TYR  21           HN       TYR  21  67.379 -14.443  -3.660
  120    HA   TYR  21           HA       TYR  21  68.832 -15.866  -4.726
  121    HB2  TYR  21           HB2      TYR  21  69.131 -16.602  -1.831
  122    HB3  TYR  21           HB1      TYR  21  69.987 -17.524  -3.067
  123    HD1  TYR  21           HD2      TYR  21  69.444 -14.080  -1.748
  124    HD2  TYR  21           HD1      TYR  21  71.926 -16.655  -4.125
  125    HE1  TYR  21           HE2      TYR  21  71.154 -12.291  -1.900
  126    HE2  TYR  21           HE1      TYR  21  73.636 -14.865  -4.278
  127    HH   TYR  21           HH       TYR  21  73.590 -12.108  -2.303
  128    H    THR  22           HN       THR  22  67.135 -16.842  -5.952
  129    HA   THR  22           HA       THR  22  66.110 -18.692  -6.854
  130    HB   THR  22           HB       THR  22  67.076 -20.575  -4.789
  131    HG1  THR  22           HG1      THR  22  69.137 -20.148  -6.334
  132   HG21  THR  22          HG21      THR  22  66.022 -21.257  -6.930
  133   HG22  THR  22          HG22      THR  22  67.674 -21.860  -6.786
  134   HG23  THR  22          HG23      THR  22  67.331 -20.463  -7.808
  135    H    ASP  23           HN       ASP  23  64.976 -17.078  -4.632
  136    HA   ASP  23           HA       ASP  23  62.788 -18.902  -3.977
  137    HB2  ASP  23           HB2      ASP  23  64.710 -17.797  -2.009
  138    HB3  ASP  23           HB1      ASP  23  63.006 -17.704  -1.570
  139    H    TRP  24           HN       TRP  24  63.577 -16.238  -5.427
  140    HA   TRP  24           HA       TRP  24  61.734 -14.365  -4.167
  141    HB2  TRP  24           HB2      TRP  24  62.450 -12.816  -5.920
  142    HB3  TRP  24           HB1      TRP  24  63.854 -13.554  -5.148
  143    HD1  TRP  24           HD1      TRP  24  65.051 -15.590  -6.497
  144    HE1  TRP  24           HE1      TRP  24  65.246 -16.009  -9.034
  145    HE3  TRP  24           HE3      TRP  24  61.327 -12.531  -8.186
  146    HZ2  TRP  24           HZ2      TRP  24  63.989 -15.158 -11.458
  147    HZ3  TRP  24           HZ3      TRP  24  60.848 -12.355 -10.610
  148    HH2  TRP  24           HH2      TRP  24  62.173 -13.664 -12.247
  149    H    LYS  25           HN       LYS  25  61.656 -16.817  -6.537
  150    HA   LYS  25           HA       LYS  25  59.244 -15.702  -7.803
  151    HB2  LYS  25           HB2      LYS  25  59.610 -17.876  -9.246
  152    HB3  LYS  25           HB1      LYS  25  60.596 -16.443  -9.530
  153    HG2  LYS  25           HG2      LYS  25  61.965 -18.519  -9.397
  154    HG3  LYS  25           HG1      LYS  25  62.389 -17.357  -8.141
  155    HD2  LYS  25           HD2      LYS  25  61.244 -18.586  -6.463
  156    HD3  LYS  25           HD1      LYS  25  60.369 -19.549  -7.654
  157    HE2  LYS  25           HE2      LYS  25  62.360 -20.729  -8.288
  158    HE3  LYS  25           HE1      LYS  25  63.382 -19.624  -7.369
  159    HZ1  LYS  25           HZ1      LYS  25  62.570 -20.451  -5.351
  160    HZ2  LYS  25           HZ2      LYS  25  62.847 -21.833  -6.299
  161    HZ3  LYS  25           HZ3      LYS  25  61.266 -21.247  -6.087
  162    H    SER  26           HN       SER  26  59.761 -17.230  -5.087
  163    HA   SER  26           HA       SER  26  57.317 -18.854  -5.322
  164    HB2  SER  26           HB2      SER  26  58.429 -20.562  -3.817
  165    HB3  SER  26           HB1      SER  26  59.035 -20.506  -5.469
  166    HG   SER  26           HG       SER  26  60.210 -19.626  -3.078
  167    H    SER  27           HN       SER  27  59.764 -18.045  -2.848
  168    HA   SER  27           HA       SER  27  57.732 -17.663  -0.838
  169    HB2  SER  27           HB2      SER  27  59.777 -18.531  -0.026
  170    HB3  SER  27           HB1      SER  27  60.727 -17.326  -0.890
  171    HG   SER  27           HG       SER  27  59.874 -17.190   1.568
  172    H    GLY  28           HN       GLY  28  58.110 -15.874  -3.358
  173    HA2  GLY  28           HA2      GLY  28  57.618 -13.360  -1.919
  174    HA3  GLY  28           HA1      GLY  28  58.867 -13.376  -3.160
  175    H    ALA  29           HN       ALA  29  55.685 -14.967  -3.062
  176    HA   ALA  29           HA       ALA  29  54.810 -13.280  -5.313
  177    HB1  ALA  29           HB1      ALA  29  53.840 -15.951  -5.694
  178    HB2  ALA  29           HB2      ALA  29  55.598 -15.994  -5.548
  179    HB3  ALA  29           HB3      ALA  29  54.838 -14.977  -6.773
  180    H    LEU  30           HN       LEU  30  54.025 -15.471  -2.679
  181    HA   LEU  30           HA       LEU  30  51.203 -14.609  -2.801
  182    HB2  LEU  30           HB2      LEU  30  50.991 -16.540  -1.067
  183    HB3  LEU  30           HB1      LEU  30  51.199 -16.944  -2.772
  184    HG   LEU  30           HG       LEU  30  53.703 -16.560  -1.234
  185   HD11  LEU  30          HD11      LEU  30  53.512 -18.941  -0.369
  186   HD12  LEU  30          HD12      LEU  30  51.788 -18.851  -0.731
  187   HD13  LEU  30          HD13      LEU  30  52.498 -17.762   0.462
  188   HD21  LEU  30          HD21      LEU  30  53.566 -17.274  -3.631
  189   HD22  LEU  30          HD22      LEU  30  52.737 -18.741  -3.111
  190   HD23  LEU  30          HD23      LEU  30  54.403 -18.446  -2.615
  191    H    ILE  31           HN       ILE  31  54.095 -14.022  -1.188
  192    HA   ILE  31           HA       ILE  31  53.038 -13.554   1.437
  193    HB   ILE  31           HB       ILE  31  55.645 -13.398   0.114
  194   HG12  ILE  31          HG12      ILE  31  56.372 -14.166   2.325
  195   HG13  ILE  31          HG11      ILE  31  54.779 -13.803   2.990
  196   HG21  ILE  31          HG21      ILE  31  55.550 -11.024   0.624
  197   HG22  ILE  31          HG22      ILE  31  56.576 -11.805   1.822
  198   HG23  ILE  31          HG23      ILE  31  54.927 -11.355   2.244
  199   HD11  ILE  31          HD11      ILE  31  53.837 -15.667   2.085
  200   HD12  ILE  31          HD12      ILE  31  55.500 -16.248   2.008
  201   HD13  ILE  31          HD13      ILE  31  54.755 -15.520   0.586
  202    HA   PRO  32           HA       PRO  32  52.903  -9.032   0.042
  203    HB2  PRO  32           HB2      PRO  32  53.273  -8.384  -2.560
  204    HB3  PRO  32           HB1      PRO  32  54.629  -8.654  -1.448
  205    HG2  PRO  32           HG2      PRO  32  53.600 -10.365  -3.614
  206    HG3  PRO  32           HG1      PRO  32  55.230 -10.250  -2.939
  207    HD2  PRO  32           HD2      PRO  32  53.264 -12.233  -2.352
  208    HD3  PRO  32           HD1      PRO  32  54.842 -12.022  -1.565
  209    H    ALA  33           HN       ALA  33  50.947 -11.309  -0.488
  210    HA   ALA  33           HA       ALA  33  48.894  -9.689  -1.869
  211    HB1  ALA  33           HB1      ALA  33  47.948 -11.888  -2.685
  212    HB2  ALA  33           HB2      ALA  33  49.453 -12.644  -2.163
  213    HB3  ALA  33           HB3      ALA  33  49.477 -11.413  -3.425
  214    H    ILE  34           HN       ILE  34  49.844 -10.915   0.987
  215    HA   ILE  34           HA       ILE  34  47.092 -10.999   1.993
  216    HB   ILE  34           HB       ILE  34  48.371 -12.991   3.458
  217   HG12  ILE  34          HG12      ILE  34  48.850 -13.416   0.492
  218   HG13  ILE  34          HG11      ILE  34  50.116 -13.021   1.657
  219   HG21  ILE  34          HG21      ILE  34  46.744 -14.466   2.313
  220   HG22  ILE  34          HG22      ILE  34  46.477 -13.216   1.098
  221   HG23  ILE  34          HG23      ILE  34  46.005 -12.932   2.773
  222   HD11  ILE  34          HD11      ILE  34  50.264 -15.176   2.277
  223   HD12  ILE  34          HD12      ILE  34  49.082 -15.588   1.035
  224   HD13  ILE  34          HD13      ILE  34  48.546 -15.206   2.671
  225    H    TYR  35           HN       TYR  35  50.436 -11.551   3.128
  226    HA   TYR  35           HA       TYR  35  50.273 -10.669   5.694
  227    HB2  TYR  35           HB2      TYR  35  52.357 -11.052   3.812
  228    HB3  TYR  35           HB1      TYR  35  52.624  -9.477   4.561
  229    HD1  TYR  35           HD1      TYR  35  52.890  -9.272   7.011
  230    HD2  TYR  35           HD2      TYR  35  52.485 -13.098   5.101
  231    HE1  TYR  35           HE1      TYR  35  53.710 -10.385   9.069
  232    HE2  TYR  35           HE2      TYR  35  53.305 -14.212   7.159
  233    HH   TYR  35           HH       TYR  35  53.947 -13.940   9.264
  234    H    MET  36           HN       MET  36  50.058  -8.728   2.804
  235    HA   MET  36           HA       MET  36  50.431  -6.197   4.110
  236    HB2  MET  36           HB2      MET  36  48.915  -6.417   1.550
  237    HB3  MET  36           HB1      MET  36  50.163  -5.263   2.024
  238    HG2  MET  36           HG2      MET  36  50.518  -8.131   1.140
  239    HG3  MET  36           HG1      MET  36  51.206  -6.676   0.417
  240    HE1  MET  36           HE1      MET  36  54.373  -6.030   2.056
  241    HE2  MET  36           HE2      MET  36  52.934  -5.123   1.598
  242    HE3  MET  36           HE3      MET  36  53.547  -6.385   0.533
  243    H    LEU  37           HN       LEU  37  47.604  -8.008   2.925
  244    HA   LEU  37           HA       LEU  37  45.613  -6.172   3.574
  245    HB2  LEU  37           HB2      LEU  37  45.693  -9.156   3.334
  246    HB3  LEU  37           HB1      LEU  37  44.239  -8.381   3.964
  247    HG   LEU  37           HG       LEU  37  45.465  -7.250   1.483
  248   HD11  LEU  37          HD11      LEU  37  44.086  -9.912   1.722
  249   HD12  LEU  37          HD12      LEU  37  45.476  -9.466   0.731
  250   HD13  LEU  37          HD13      LEU  37  43.858  -8.935   0.273
  251   HD21  LEU  37          HD21      LEU  37  42.563  -7.785   2.129
  252   HD22  LEU  37          HD22      LEU  37  43.239  -6.565   1.049
  253   HD23  LEU  37          HD23      LEU  37  43.405  -6.386   2.795
  254    H    VAL  38           HN       VAL  38  47.777  -7.648   5.647
  255    HA   VAL  38           HA       VAL  38  45.988  -7.241   7.973
  256    HB   VAL  38           HB       VAL  38  48.404  -8.966   8.210
  257   HG11  VAL  38          HG11      VAL  38  46.643  -8.302  10.016
  258   HG12  VAL  38          HG12      VAL  38  47.145  -9.989   9.912
  259   HG13  VAL  38          HG13      VAL  38  45.609  -9.482   9.210
  260   HG21  VAL  38          HG21      VAL  38  47.637  -9.996   6.253
  261   HG22  VAL  38          HG22      VAL  38  45.952  -9.600   6.589
  262   HG23  VAL  38          HG23      VAL  38  46.752 -10.882   7.496
  263    H    PHE  39           HN       PHE  39  49.411  -7.219   6.964
  264    HA   PHE  39           HA       PHE  39  50.574  -5.947   9.094
  265    HB2  PHE  39           HB2      PHE  39  51.791  -6.743   7.082
  266    HB3  PHE  39           HB1      PHE  39  51.163  -5.362   6.183
  267    HD1  PHE  39           HD1      PHE  39  53.086  -6.234   9.273
  268    HD2  PHE  39           HD2      PHE  39  52.298  -3.305   6.232
  269    HE1  PHE  39           HE1      PHE  39  54.925  -4.822  10.155
  270    HE2  PHE  39           HE2      PHE  39  54.137  -1.894   7.114
  271    HZ   PHE  39           HZ       PHE  39  55.450  -2.653   9.076
  272    H    LEU  40           HN       LEU  40  48.181  -4.691   7.005
  273    HA   LEU  40           HA       LEU  40  48.446  -2.053   8.291
  274    HB2  LEU  40           HB2      LEU  40  48.222  -2.634   5.345
  275    HB3  LEU  40           HB1      LEU  40  47.675  -1.099   6.020
  276    HG   LEU  40           HG       LEU  40  50.385  -2.069   6.814
  277   HD11  LEU  40          HD11      LEU  40  49.608  -1.082   4.072
  278   HD12  LEU  40          HD12      LEU  40  50.644  -2.445   4.498
  279   HD13  LEU  40          HD13      LEU  40  51.224  -0.794   4.718
  280   HD21  LEU  40          HD21      LEU  40  49.137   0.080   7.568
  281   HD22  LEU  40          HD22      LEU  40  49.511   0.691   5.956
  282   HD23  LEU  40          HD23      LEU  40  50.817   0.244   7.054
  283    H    LEU  41           HN       LEU  41  46.742  -3.824   9.317
  284    HA   LEU  41           HA       LEU  41  44.201  -2.583   8.967
  285    HB2  LEU  41           HB2      LEU  41  44.009  -3.921   6.982
  286    HB3  LEU  41           HB1      LEU  41  44.598  -5.354   7.820
  287    HG   LEU  41           HG       LEU  41  42.595  -5.486   9.161
  288   HD11  LEU  41          HD11      LEU  41  42.073  -3.246   9.703
  289   HD12  LEU  41          HD12      LEU  41  40.749  -3.737   8.645
  290   HD13  LEU  41          HD13      LEU  41  42.064  -2.747   8.012
  291   HD21  LEU  41          HD21      LEU  41  42.505  -6.293   6.771
  292   HD22  LEU  41          HD22      LEU  41  41.739  -4.763   6.346
  293   HD23  LEU  41          HD23      LEU  41  40.933  -5.875   7.452
  294    H    GLY  42           HN       GLY  42  45.490  -5.798   9.846
  295    HA2  GLY  42           HA2      GLY  42  43.999  -5.666  12.375
  296    HA3  GLY  42           HA1      GLY  42  44.733  -7.108  11.681
  297    H    THR  43           HN       THR  43  46.204  -3.919  12.157
  298    HA   THR  43           HA       THR  43  47.648  -4.603  14.510
  299    HB   THR  43           HB       THR  43  48.719  -6.008  12.571
  300    HG1  THR  43           HG1      THR  43  50.142  -4.340  14.364
  301   HG21  THR  43          HG21      THR  43  48.843  -3.811  11.182
  302   HG22  THR  43          HG22      THR  43  50.234  -4.894  11.165
  303   HG23  THR  43          HG23      THR  43  50.253  -3.449  12.176
  304    H    THR  44           HN       THR  44  47.072  -2.608  11.743
  305    HA   THR  44           HA       THR  44  48.766  -0.494  11.935
  306    HB   THR  44           HB       THR  44  47.195  -0.122  10.306
  307    HG1  THR  44           HG1      THR  44  46.140   1.680  10.871
  308   HG21  THR  44          HG21      THR  44  45.243  -1.235  12.315
  309   HG22  THR  44          HG22      THR  44  45.662  -1.864  10.720
  310   HG23  THR  44          HG23      THR  44  44.680  -0.405  10.864
  311    H    GLY  45           HN       GLY  45  46.122  -1.261  14.140
  312    HA2  GLY  45           HA2      GLY  45  47.332   0.329  16.228
  313    HA3  GLY  45           HA1      GLY  45  45.805   0.982  15.640
  314    H    ASN  46           HN       ASN  46  45.519  -2.217  15.137
  315    HA   ASN  46           HA       ASN  46  44.098  -2.607  17.687
  316    HB2  ASN  46           HB2      ASN  46  42.889  -4.393  16.511
  317    HB3  ASN  46           HB1      ASN  46  42.764  -2.866  15.639
  318   HD21  ASN  46          HD21      ASN  46  44.042  -2.636  13.641
  319   HD22  ASN  46          HD22      ASN  46  44.651  -4.005  12.843
  320    H    GLY  47           HN       GLY  47  47.073  -2.989  17.015
  321    HA2  GLY  47           HA2      GLY  47  47.279  -5.661  18.248
  322    HA3  GLY  47           HA1      GLY  47  48.251  -5.281  16.829
  323    H    LEU  48           HN       LEU  48  47.858  -2.482  18.563
  324    HA   LEU  48           HA       LEU  48  49.826  -2.849  20.614
  325    HB2  LEU  48           HB2      LEU  48  51.509  -1.293  19.552
  326    HB3  LEU  48           HB1      LEU  48  51.405  -2.890  18.810
  327    HG   LEU  48           HG       LEU  48  49.482  -1.107  17.595
  328   HD11  LEU  48          HD11      LEU  48  51.063   0.663  18.282
  329   HD12  LEU  48          HD12      LEU  48  51.082   0.444  16.533
  330   HD13  LEU  48          HD13      LEU  48  52.383  -0.221  17.518
  331   HD21  LEU  48          HD21      LEU  48  50.707  -1.808  15.553
  332   HD22  LEU  48          HD22      LEU  48  50.344  -3.183  16.594
  333   HD23  LEU  48          HD23      LEU  48  51.972  -2.506  16.564
  334    H    VAL  49           HN       VAL  49  47.409  -1.876  20.996
  335    HA   VAL  49           HA       VAL  49  47.892   0.973  21.513
  336    HB   VAL  49           HB       VAL  49  45.452  -0.141  20.115
  337   HG11  VAL  49          HG11      VAL  49  44.959   2.475  20.185
  338   HG12  VAL  49          HG12      VAL  49  45.928   2.379  21.656
  339   HG13  VAL  49          HG13      VAL  49  44.456   1.418  21.506
  340   HG21  VAL  49          HG21      VAL  49  46.088   1.550  18.403
  341   HG22  VAL  49          HG22      VAL  49  47.355   0.347  18.641
  342   HG23  VAL  49          HG23      VAL  49  47.517   1.951  19.356
  343    H    LEU  50           HN       LEU  50  45.230  -1.390  21.833
  344    HA   LEU  50           HA       LEU  50  44.888  -0.541  24.625
  345    HB2  LEU  50           HB2      LEU  50  42.747  -1.755  24.502
  346    HB3  LEU  50           HB1      LEU  50  42.881  -0.560  23.211
  347    HG   LEU  50           HG       LEU  50  44.038  -2.871  22.142
  348   HD11  LEU  50          HD11      LEU  50  41.449  -3.543  23.574
  349   HD12  LEU  50          HD12      LEU  50  43.042  -4.143  24.033
  350   HD13  LEU  50          HD13      LEU  50  42.338  -4.605  22.482
  351   HD21  LEU  50          HD21      LEU  50  41.277  -1.651  21.858
  352   HD22  LEU  50          HD22      LEU  50  41.907  -2.893  20.777
  353   HD23  LEU  50          HD23      LEU  50  42.696  -1.318  20.865
  354    H    TRP  51           HN       TRP  51  45.920  -3.227  22.673
  355    HA   TRP  51           HA       TRP  51  45.774  -5.171  24.807
  356    HB2  TRP  51           HB2      TRP  51  45.821  -6.508  23.007
  357    HB3  TRP  51           HB1      TRP  51  46.320  -5.175  21.965
  358    HD1  TRP  51           HD1      TRP  51  48.918  -4.796  21.590
  359    HE1  TRP  51           HE1      TRP  51  50.957  -6.335  21.941
  360    HE3  TRP  51           HE3      TRP  51  46.799  -8.417  24.501
  361    HZ2  TRP  51           HZ2      TRP  51  51.603  -8.778  23.279
  362    HZ3  TRP  51           HZ3      TRP  51  48.147 -10.337  25.298
  363    HH2  TRP  51           HH2      TRP  51  50.544 -10.521  24.692
  364    H    THR  52           HN       THR  52  47.931  -2.704  23.892
  365    HA   THR  52           HA       THR  52  50.333  -3.948  24.917
  366    HB   THR  52           HB       THR  52  50.366  -2.224  23.111
  367    HG1  THR  52           HG1      THR  52  52.283  -1.839  23.831
  368   HG21  THR  52          HG21      THR  52  48.592  -0.879  24.710
  369   HG22  THR  52          HG22      THR  52  49.498  -0.145  23.387
  370   HG23  THR  52          HG23      THR  52  50.094  -0.015  25.042
  371    H    VAL  53           HN       VAL  53  47.673  -2.195  26.205
  372    HA   VAL  53           HA       VAL  53  48.928  -1.009  28.458
  373    HB   VAL  53           HB       VAL  53  46.073  -1.868  27.957
  374   HG11  VAL  53          HG11      VAL  53  46.175  -1.831  30.300
  375   HG12  VAL  53          HG12      VAL  53  45.721  -0.171  29.916
  376   HG13  VAL  53          HG13      VAL  53  47.394  -0.556  30.322
  377   HG21  VAL  53          HG21      VAL  53  46.969   0.963  28.241
  378   HG22  VAL  53          HG22      VAL  53  45.728   0.278  27.192
  379   HG23  VAL  53          HG23      VAL  53  47.431   0.121  26.762
  380    H    PHE  54           HN       PHE  54  46.785  -3.868  28.371
  381    HA   PHE  54           HA       PHE  54  47.306  -4.789  30.940
  382    HB2  PHE  54           HB2      PHE  54  45.692  -6.164  30.201
  383    HB3  PHE  54           HB1      PHE  54  46.102  -5.845  28.517
  384    HD1  PHE  54           HD2      PHE  54  47.979  -7.119  27.428
  385    HD2  PHE  54           HD1      PHE  54  46.456  -8.137  31.313
  386    HE1  PHE  54           HE2      PHE  54  49.049  -9.351  27.263
  387    HE2  PHE  54           HE1      PHE  54  47.525 -10.369  31.148
  388    HZ   PHE  54           HZ       PHE  54  48.822 -10.974  29.123
  389    H    ARG  55           HN       ARG  55  49.378  -4.724  28.228
  390    HA   ARG  55           HA       ARG  55  51.067  -6.920  29.106
  391    HB2  ARG  55           HB2      ARG  55  50.802  -6.433  26.703
  392    HB3  ARG  55           HB1      ARG  55  51.514  -4.838  26.953
  393    HG2  ARG  55           HG2      ARG  55  53.599  -5.687  26.891
  394    HG3  ARG  55           HG1      ARG  55  53.194  -6.894  28.112
  395    HD2  ARG  55           HD2      ARG  55  52.284  -8.379  26.430
  396    HD3  ARG  55           HD1      ARG  55  52.468  -7.149  25.183
  397    HE   ARG  55           HE       ARG  55  55.004  -7.515  26.198
  398   HH11  ARG  55          HH21      ARG  55  52.529  -9.491  24.804
  399   HH12  ARG  55          HH22      ARG  55  53.636 -10.622  24.100
  400   HH21  ARG  55          HH11      ARG  55  56.462  -8.995  25.278
  401   HH22  ARG  55          HH12      ARG  55  55.862 -10.342  24.369
  402    H    LYS  56           HN       LYS  56  51.268  -3.372  28.927
  403    HA   LYS  56           HA       LYS  56  53.820  -2.937  29.852
  404    HB2  LYS  56           HB2      LYS  56  51.248  -1.437  30.256
  405    HB3  LYS  56           HB1      LYS  56  52.738  -0.876  31.018
  406    HG2  LYS  56           HG2      LYS  56  53.854  -0.821  28.823
  407    HG3  LYS  56           HG1      LYS  56  52.377  -1.400  28.052
  408    HD2  LYS  56           HD2      LYS  56  51.535   0.786  29.571
  409    HD3  LYS  56           HD1      LYS  56  53.079   1.302  28.891
  410    HE2  LYS  56           HE2      LYS  56  50.709   0.207  27.350
  411    HE3  LYS  56           HE1      LYS  56  51.303   1.868  27.325
  412    HZ1  LYS  56           HZ1      LYS  56  52.540   1.216  25.612
  413    HZ2  LYS  56           HZ2      LYS  56  52.258  -0.433  25.911
  414    HZ3  LYS  56           HZ3      LYS  56  53.501   0.383  26.734
  415    H    LYS  57           HN       LYS  57  51.045  -4.088  31.626
  416    HA   LYS  57           HA       LYS  57  51.806  -3.555  34.253
  417    HB2  LYS  57           HB2      LYS  57  50.466  -6.096  33.308
  418    HB3  LYS  57           HB1      LYS  57  50.338  -5.346  34.899
  419    HG2  LYS  57           HG2      LYS  57  49.302  -3.343  33.837
  420    HG3  LYS  57           HG1      LYS  57  49.352  -4.173  32.282
  421    HD2  LYS  57           HD2      LYS  57  47.811  -5.835  32.995
  422    HD3  LYS  57           HD1      LYS  57  47.999  -5.391  34.692
  423    HE2  LYS  57           HE2      LYS  57  46.687  -3.483  34.482
  424    HE3  LYS  57           HE1      LYS  57  47.012  -3.325  32.757
  425    HZ1  LYS  57           HZ1      LYS  57  45.642  -5.751  33.557
  426    HZ2  LYS  57           HZ2      LYS  57  45.367  -4.735  32.225
  427    HZ3  LYS  57           HZ3      LYS  57  44.752  -4.321  33.753
  428    H    GLY  58           HN       GLY  58  53.340  -5.511  31.943
  429    HA2  GLY  58           HA2      GLY  58  55.652  -6.073  33.161
  430    HA3  GLY  58           HA1      GLY  58  54.603  -7.297  33.872
  431    H    HIS  59           HN       HIS  59  56.150  -6.180  30.943
  432    HA   HIS  59           HA       HIS  59  55.057  -7.955  29.076
  433    HB2  HIS  59           HB2      HIS  59  56.471  -6.842  27.747
  434    HB3  HIS  59           HB1      HIS  59  57.202  -6.094  29.167
  435    HD2  HIS  59           HD2      HIS  59  59.312  -7.880  30.354
  436    HE1  HIS  59           HE1      HIS  59  60.164  -9.602  26.596
  437    HE2  HIS  59           HE2      HIS  59  61.001  -9.318  28.977
  438    H    HIS  60           HN       HIS  60  57.264  -8.498  31.683
  439    HA   HIS  60           HA       HIS  60  58.120 -11.091  30.635
  440    HB2  HIS  60           HB2      HIS  60  59.424 -11.170  32.800
  441    HB3  HIS  60           HB1      HIS  60  59.849  -9.839  31.723
  442    HD2  HIS  60           HD2      HIS  60  59.744  -7.384  32.981
  443    HE1  HIS  60           HE1      HIS  60  57.225  -8.462  36.193
  444    HE2  HIS  60           HE2      HIS  60  58.599  -6.579  35.185
  445    H    HIS  61           HN       HIS  61  56.107  -9.718  33.186
  446    HA   HIS  61           HA       HIS  61  55.430 -12.367  34.212
  447    HB2  HIS  61           HB2      HIS  61  55.774 -10.390  35.725
  448    HB3  HIS  61           HB1      HIS  61  54.312  -9.682  35.040
  449    HD2  HIS  61           HD2      HIS  61  54.747 -13.474  36.172
  450    HE1  HIS  61           HE1      HIS  61  51.542 -11.749  38.311
  451    HE2  HIS  61           HE2      HIS  61  52.825 -13.900  37.887
  452    H    HIS  62           HN       HIS  62  54.705 -12.007  31.530
  453    HA   HIS  62           HA       HIS  62  52.112 -11.094  31.046
  454    HB2  HIS  62           HB2      HIS  62  53.836 -11.887  29.348
  455    HB3  HIS  62           HB1      HIS  62  53.324 -13.530  29.735
  456    HD2  HIS  62           HD2      HIS  62  51.972 -10.388  27.831
  457    HE1  HIS  62           HE1      HIS  62  49.109 -13.465  27.440
  458    HE2  HIS  62           HE2      HIS  62  49.763 -11.139  26.659
  459    H    HIS  63           HN       HIS  63  53.046 -13.495  33.150
  460    HA   HIS  63           HA       HIS  63  51.989 -15.309  34.124
  461    HB2  HIS  63           HB2      HIS  63  50.769 -13.256  34.967
  462    HB3  HIS  63           HB1      HIS  63  49.533 -13.587  33.754
  463    HD2  HIS  63           HD2      HIS  63  51.273 -16.093  36.338
  464    HE1  HIS  63           HE1      HIS  63  47.081 -16.535  36.554
  465    HE2  HIS  63           HE2      HIS  63  49.298 -17.389  37.449
  466    H    HIS  64           HN       HIS  64  52.346 -16.639  32.191
  467    HA   HIS  64           HA       HIS  64  50.372 -16.928  30.170
  468    HB2  HIS  64           HB2      HIS  64  51.700 -18.621  29.341
  469    HB3  HIS  64           HB1      HIS  64  52.884 -17.766  30.329
  470    HD2  HIS  64           HD2      HIS  64  53.591 -19.102  32.765
  471    HE1  HIS  64           HE1      HIS  64  51.563 -22.691  31.853
  472    HE2  HIS  64           HE2      HIS  64  53.213 -21.596  33.442
  Start of MODEL   27
    1    H1   MET   1           HT1      MET   1  72.927 -57.711   1.627
    2    H2   MET   1           HT2      MET   1  73.320 -59.330   1.289
    3    H3   MET   1           HT3      MET   1  72.047 -58.965   2.355
    4    HA   MET   1           HA       MET   1  71.619 -59.620  -0.151
    5    HB2  MET   1           HB2      MET   1  70.165 -57.502   1.461
    6    HB3  MET   1           HB1      MET   1  69.494 -58.297   0.036
    7    HG2  MET   1           HG2      MET   1  69.108 -60.250   1.146
    8    HG3  MET   1           HG1      MET   1  70.594 -60.122   2.088
    9    HE1  MET   1           HE1      MET   1  67.461 -58.573   1.185
   10    HE2  MET   1           HE2      MET   1  67.539 -57.145   2.214
   11    HE3  MET   1           HE3      MET   1  66.482 -58.483   2.656
   12    H    GLU   2           HN       GLU   2  72.578 -58.937  -1.972
   13    HA   GLU   2           HA       GLU   2  73.655 -56.371  -2.406
   14    HB2  GLU   2           HB2      GLU   2  74.410 -58.252  -3.723
   15    HB3  GLU   2           HB1      GLU   2  72.788 -58.502  -4.370
   16    HG2  GLU   2           HG2      GLU   2  72.904 -56.655  -5.760
   17    HG3  GLU   2           HG1      GLU   2  74.047 -55.812  -4.715
   18    H    GLU   3           HN       GLU   3  72.359 -54.625  -2.189
   19    HA   GLU   3           HA       GLU   3  69.679 -54.618  -3.339
   20    HB2  GLU   3           HB2      GLU   3  71.244 -52.710  -1.616
   21    HB3  GLU   3           HB1      GLU   3  69.746 -52.208  -2.402
   22    HG2  GLU   3           HG2      GLU   3  68.449 -53.755  -1.206
   23    HG3  GLU   3           HG1      GLU   3  69.842 -54.762  -0.814
   24    H    GLY   4           HN       GLY   4  71.528 -51.696  -3.354
   25    HA2  GLY   4           HA2      GLY   4  72.585 -51.691  -5.944
   26    HA3  GLY   4           HA1      GLY   4  70.926 -51.108  -6.056
   27    H    GLY   5           HN       GLY   5  70.369 -49.379  -4.364
   28    HA2  GLY   5           HA2      GLY   5  70.709 -47.256  -3.546
   29    HA3  GLY   5           HA1      GLY   5  72.357 -47.763  -3.190
   30    H    ASP   6           HN       ASP   6  72.321 -45.273  -3.860
   31    HA   ASP   6           HA       ASP   6  73.348 -45.221  -6.613
   32    HB2  ASP   6           HB2      ASP   6  71.575 -43.009  -5.590
   33    HB3  ASP   6           HB1      ASP   6  72.097 -43.320  -7.245
   34    H    PHE   7           HN       PHE   7  72.724 -42.929  -3.944
   35    HA   PHE   7           HA       PHE   7  74.097 -41.415  -2.894
   36    HB2  PHE   7           HB2      PHE   7  76.341 -43.327  -3.553
   37    HB3  PHE   7           HB1      PHE   7  76.235 -42.208  -2.193
   38    HD1  PHE   7           HD1      PHE   7  74.250 -42.539  -0.548
   39    HD2  PHE   7           HD2      PHE   7  75.586 -45.539  -3.318
   40    HE1  PHE   7           HE1      PHE   7  73.129 -44.288   0.806
   41    HE2  PHE   7           HE2      PHE   7  74.464 -47.288  -1.964
   42    HZ   PHE   7           HZ       PHE   7  73.236 -46.663   0.098
   43    H    ASP   8           HN       ASP   8  73.565 -40.878  -5.588
   44    HA   ASP   8           HA       ASP   8  75.995 -39.384  -6.298
   45    HB2  ASP   8           HB2      ASP   8  75.553 -41.654  -7.620
   46    HB3  ASP   8           HB1      ASP   8  74.456 -40.617  -8.532
   47    H    ASN   9           HN       ASN   9  73.728 -38.388  -5.018
   48    HA   ASN   9           HA       ASN   9  72.863 -36.418  -6.977
   49    HB2  ASN   9           HB2      ASN   9  71.178 -38.197  -7.222
   50    HB3  ASN   9           HB1      ASN   9  70.853 -38.126  -5.492
   51   HD21  ASN   9          HD21      ASN   9  68.616 -37.429  -5.897
   52   HD22  ASN   9          HD22      ASN   9  68.281 -35.849  -6.418
   53    H    TYR  10           HN       TYR  10  74.166 -35.108  -5.553
   54    HA   TYR  10           HA       TYR  10  74.573 -33.786  -3.699
   55    HB2  TYR  10           HB2      TYR  10  72.234 -33.073  -4.899
   56    HB3  TYR  10           HB1      TYR  10  71.692 -33.351  -3.243
   57    HD1  TYR  10           HD2      TYR  10  74.010 -31.406  -5.378
   58    HD2  TYR  10           HD1      TYR  10  72.402 -31.929  -1.429
   59    HE1  TYR  10           HE2      TYR  10  74.990 -29.234  -4.691
   60    HE2  TYR  10           HE1      TYR  10  73.382 -29.757  -0.743
   61    HH   TYR  10           HH       TYR  10  75.697 -28.306  -2.002
   62    H    TYR  11           HN       TYR  11  73.847 -36.712  -3.241
   63    HA   TYR  11           HA       TYR  11  73.225 -38.121  -1.506
   64    HB2  TYR  11           HB2      TYR  11  74.415 -37.429   0.648
   65    HB3  TYR  11           HB1      TYR  11  75.424 -37.632  -0.784
   66    HD1  TYR  11           HD1      TYR  11  76.320 -35.678  -1.988
   67    HD2  TYR  11           HD2      TYR  11  74.001 -35.233   1.600
   68    HE1  TYR  11           HE1      TYR  11  77.088 -33.328  -1.783
   69    HE2  TYR  11           HE2      TYR  11  74.769 -32.884   1.805
   70    HH   TYR  11           HH       TYR  11  76.743 -31.522   1.029
   71    H    GLY  12           HN       GLY  12  71.147 -36.328  -2.086
   72    HA2  GLY  12           HA2      GLY  12  69.639 -36.480   0.339
   73    HA3  GLY  12           HA1      GLY  12  70.082 -34.818  -0.036
   74    H    ALA  13           HN       ALA  13  69.786 -34.440  -2.595
   75    HA   ALA  13           HA       ALA  13  67.849 -35.658  -4.108
   76    HB1  ALA  13           HB1      ALA  13  65.938 -33.895  -3.479
   77    HB2  ALA  13           HB2      ALA  13  66.695 -34.039  -1.893
   78    HB3  ALA  13           HB3      ALA  13  66.051 -35.472  -2.698
   79    H    ASP  14           HN       ASP  14  69.357 -32.743  -3.004
   80    HA   ASP  14           HA       ASP  14  70.274 -31.018  -4.248
   81    HB2  ASP  14           HB2      ASP  14  70.095 -32.914  -6.133
   82    HB3  ASP  14           HB1      ASP  14  68.878 -31.799  -6.755
   83    H    ASN  15           HN       ASN  15  67.118 -31.658  -3.618
   84    HA   ASN  15           HA       ASN  15  65.992 -29.306  -4.933
   85    HB2  ASN  15           HB2      ASN  15  63.879 -30.046  -3.839
   86    HB3  ASN  15           HB1      ASN  15  64.600 -31.288  -4.861
   87   HD21  ASN  15          HD21      ASN  15  66.417 -30.852  -2.001
   88   HD22  ASN  15          HD22      ASN  15  65.780 -32.155  -1.120
   89    H    GLN  16           HN       GLN  16  67.859 -28.261  -3.466
   90    HA   GLN  16           HA       GLN  16  66.770 -27.585  -0.820
   91    HB2  GLN  16           HB2      GLN  16  69.480 -27.342  -2.096
   92    HB3  GLN  16           HB1      GLN  16  69.070 -26.374  -0.680
   93    HG2  GLN  16           HG2      GLN  16  70.163 -28.725  -0.333
   94    HG3  GLN  16           HG1      GLN  16  68.808 -28.251   0.691
   95   HE21  GLN  16          HE21      GLN  16  69.628 -30.171  -2.221
   96   HE22  GLN  16          HE22      GLN  16  68.270 -31.183  -2.123
   97    H    SER  17           HN       SER  17  65.107 -26.472  -2.435
   98    HA   SER  17           HA       SER  17  64.119 -24.404  -2.766
   99    HB2  SER  17           HB2      SER  17  66.670 -22.911  -2.357
  100    HB3  SER  17           HB1      SER  17  65.031 -22.493  -1.872
  101    HG   SER  17           HG       SER  17  65.758 -24.761  -0.667
  102    H    GLU  18           HN       GLU  18  64.726 -25.843  -4.875
  103    HA   GLU  18           HA       GLU  18  65.644 -23.854  -6.827
  104    HB2  GLU  18           HB2      GLU  18  67.246 -26.011  -6.022
  105    HB3  GLU  18           HB1      GLU  18  66.560 -26.494  -7.576
  106    HG2  GLU  18           HG2      GLU  18  67.246 -24.255  -8.494
  107    HG3  GLU  18           HG1      GLU  18  68.088 -23.951  -6.974
  108    H    CYS  19           HN       CYS  19  63.836 -23.591  -7.993
  109    HA   CYS  19           HA       CYS  19  62.088 -24.072  -9.401
  110    HB2  CYS  19           HB2      CYS  19  63.929 -25.652 -10.350
  111    HB3  CYS  19           HB1      CYS  19  63.012 -26.930  -9.554
  112    HG   CYS  19           HG       CYS  19  61.707 -26.841 -11.686
  113    H    GLU  20           HN       GLU  20  61.146 -23.834  -7.104
  114    HA   GLU  20           HA       GLU  20  60.150 -26.145  -5.777
  115    HB2  GLU  20           HB2      GLU  20  60.468 -23.833  -4.775
  116    HB3  GLU  20           HB1      GLU  20  58.996 -23.359  -5.625
  117    HG2  GLU  20           HG2      GLU  20  57.944 -24.088  -3.747
  118    HG3  GLU  20           HG1      GLU  20  58.190 -25.687  -4.444
  119    H    TYR  21           HN       TYR  21  59.498 -26.873  -8.161
  120    HA   TYR  21           HA       TYR  21  57.817 -27.563  -9.542
  121    HB2  TYR  21           HB2      TYR  21  56.211 -26.872  -7.077
  122    HB3  TYR  21           HB1      TYR  21  55.514 -27.634  -8.504
  123    HD1  TYR  21           HD2      TYR  21  58.468 -28.020  -6.208
  124    HD2  TYR  21           HD1      TYR  21  55.468 -29.963  -8.596
  125    HE1  TYR  21           HE2      TYR  21  59.276 -30.229  -5.429
  126    HE2  TYR  21           HE1      TYR  21  56.278 -32.170  -7.816
  127    HH   TYR  21           HH       TYR  21  57.524 -33.159  -6.072
  128    H    THR  22           HN       THR  22  56.216 -24.869  -7.828
  129    HA   THR  22           HA       THR  22  56.292 -23.196 -10.189
  130    HB   THR  22           HB       THR  22  53.775 -22.986 -10.255
  131    HG1  THR  22           HG1      THR  22  53.890 -25.432  -8.834
  132   HG21  THR  22          HG21      THR  22  54.656 -25.808 -10.867
  133   HG22  THR  22          HG22      THR  22  55.208 -24.436 -11.826
  134   HG23  THR  22          HG23      THR  22  53.490 -24.815 -11.737
  135    H    ASP  23           HN       ASP  23  57.478 -22.514  -7.967
  136    HA   ASP  23           HA       ASP  23  55.769 -20.392  -6.886
  137    HB2  ASP  23           HB2      ASP  23  56.312 -22.746  -5.431
  138    HB3  ASP  23           HB1      ASP  23  57.337 -21.491  -4.738
  139    H    TRP  24           HN       TRP  24  58.953 -21.852  -7.231
  140    HA   TRP  24           HA       TRP  24  60.488 -19.744  -6.159
  141    HB2  TRP  24           HB2      TRP  24  62.360 -20.756  -7.235
  142    HB3  TRP  24           HB1      TRP  24  61.285 -22.075  -6.773
  143    HD1  TRP  24           HD1      TRP  24  59.309 -22.474  -8.907
  144    HE1  TRP  24           HE1      TRP  24  59.898 -22.905 -11.381
  145    HE3  TRP  24           HE3      TRP  24  64.047 -20.572  -9.030
  146    HZ2  TRP  24           HZ2      TRP  24  62.089 -22.497 -13.173
  147    HZ3  TRP  24           HZ3      TRP  24  65.360 -20.605 -11.132
  148    HH2  TRP  24           HH2      TRP  24  64.388 -21.565 -13.201
  149    H    LYS  25           HN       LYS  25  58.982 -20.183  -9.295
  150    HA   LYS  25           HA       LYS  25  60.431 -18.112 -10.623
  151    HB2  LYS  25           HB2      LYS  25  58.992 -18.460 -12.447
  152    HB3  LYS  25           HB1      LYS  25  59.100 -20.041 -11.683
  153    HG2  LYS  25           HG2      LYS  25  56.827 -18.044 -11.416
  154    HG3  LYS  25           HG1      LYS  25  56.778 -19.609 -12.215
  155    HD2  LYS  25           HD2      LYS  25  57.346 -20.672  -9.995
  156    HD3  LYS  25           HD1      LYS  25  57.112 -19.091  -9.250
  157    HE2  LYS  25           HE2      LYS  25  55.103 -20.945 -10.430
  158    HE3  LYS  25           HE1      LYS  25  54.965 -19.879  -9.031
  159    HZ1  LYS  25           HZ1      LYS  25  54.823 -17.990 -10.502
  160    HZ2  LYS  25           HZ2      LYS  25  53.620 -19.120 -10.906
  161    HZ3  LYS  25           HZ3      LYS  25  55.019 -18.984 -11.862
  162    H    SER  26           HN       SER  26  58.519 -17.833  -8.039
  163    HA   SER  26           HA       SER  26  57.714 -15.098  -8.777
  164    HB2  SER  26           HB2      SER  26  55.955 -17.321  -7.996
  165    HB3  SER  26           HB1      SER  26  55.709 -15.845  -7.068
  166    HG   SER  26           HG       SER  26  54.475 -15.876  -8.998
  167    H    SER  27           HN       SER  27  57.124 -17.049  -5.873
  168    HA   SER  27           HA       SER  27  57.657 -16.672  -3.668
  169    HB2  SER  27           HB2      SER  27  59.890 -16.786  -3.296
  170    HB3  SER  27           HB1      SER  27  59.995 -16.941  -5.048
  171    HG   SER  27           HG       SER  27  60.003 -14.530  -4.982
  172    H    GLY  28           HN       GLY  28  56.850 -14.307  -5.658
  173    HA2  GLY  28           HA2      GLY  28  56.676 -12.338  -3.526
  174    HA3  GLY  28           HA1      GLY  28  57.648 -11.852  -4.913
  175    H    ALA  29           HN       ALA  29  54.838 -13.936  -5.166
  176    HA   ALA  29           HA       ALA  29  53.245 -11.708  -6.250
  177    HB1  ALA  29           HB1      ALA  29  54.535 -13.338  -7.961
  178    HB2  ALA  29           HB2      ALA  29  52.954 -12.643  -8.313
  179    HB3  ALA  29           HB3      ALA  29  53.075 -14.291  -7.700
  180    H    LEU  30           HN       LEU  30  53.439 -13.991  -3.995
  181    HA   LEU  30           HA       LEU  30  50.533 -14.212  -3.768
  182    HB2  LEU  30           HB2      LEU  30  50.840 -16.698  -3.203
  183    HB3  LEU  30           HB1      LEU  30  50.907 -16.249  -4.907
  184    HG   LEU  30           HG       LEU  30  53.512 -16.074  -3.570
  185   HD11  LEU  30          HD11      LEU  30  52.131 -18.764  -3.831
  186   HD12  LEU  30          HD12      LEU  30  52.610 -17.990  -2.321
  187   HD13  LEU  30          HD13      LEU  30  53.840 -18.529  -3.464
  188   HD21  LEU  30          HD21      LEU  30  54.218 -17.226  -5.601
  189   HD22  LEU  30          HD22      LEU  30  53.076 -15.953  -6.034
  190   HD23  LEU  30          HD23      LEU  30  52.546 -17.635  -5.987
  191    H    ILE  31           HN       ILE  31  53.727 -14.320  -2.433
  192    HA   ILE  31           HA       ILE  31  52.943 -15.016   0.235
  193    HB   ILE  31           HB       ILE  31  55.417 -14.432  -1.188
  194   HG12  ILE  31          HG12      ILE  31  56.288 -16.013   0.482
  195   HG13  ILE  31          HG11      ILE  31  54.790 -15.877   1.403
  196   HG21  ILE  31          HG21      ILE  31  55.114 -13.357   1.639
  197   HG22  ILE  31          HG22      ILE  31  55.549 -12.427   0.198
  198   HG23  ILE  31          HG23      ILE  31  56.655 -13.639   0.835
  199   HD11  ILE  31          HD11      ILE  31  53.660 -17.250  -0.008
  200   HD12  ILE  31          HD12      ILE  31  55.261 -17.764  -0.540
  201   HD13  ILE  31          HD13      ILE  31  54.389 -16.525  -1.442
  202    HA   PRO  32           HA       PRO  32  53.041 -10.338   0.966
  203    HB2  PRO  32           HB2      PRO  32  53.247  -8.631  -1.133
  204    HB3  PRO  32           HB1      PRO  32  54.661  -9.382  -0.369
  205    HG2  PRO  32           HG2      PRO  32  53.402  -9.953  -2.965
  206    HG3  PRO  32           HG1      PRO  32  55.069 -10.213  -2.431
  207    HD2  PRO  32           HD2      PRO  32  52.984 -12.163  -2.605
  208    HD3  PRO  32           HD1      PRO  32  54.622 -12.393  -1.959
  209    H    ALA  33           HN       ALA  33  50.984 -12.044  -0.830
  210    HA   ALA  33           HA       ALA  33  48.986  -9.917  -1.209
  211    HB1  ALA  33           HB1      ALA  33  49.627 -11.813  -2.946
  212    HB2  ALA  33           HB2      ALA  33  47.959 -11.266  -2.774
  213    HB3  ALA  33           HB3      ALA  33  48.483 -12.756  -1.989
  214    H    ILE  34           HN       ILE  34  49.960 -11.812   1.229
  215    HA   ILE  34           HA       ILE  34  47.253 -11.928   2.381
  216    HB   ILE  34           HB       ILE  34  48.700 -14.138   3.407
  217   HG12  ILE  34          HG12      ILE  34  48.623 -14.069   0.372
  218   HG13  ILE  34          HG11      ILE  34  50.090 -13.958   1.347
  219   HG21  ILE  34          HG21      ILE  34  46.819 -15.394   2.460
  220   HG22  ILE  34          HG22      ILE  34  46.410 -14.031   1.419
  221   HG23  ILE  34          HG23      ILE  34  46.237 -13.888   3.168
  222   HD11  ILE  34          HD11      ILE  34  50.179 -16.201   1.443
  223   HD12  ILE  34          HD12      ILE  34  48.678 -16.314   0.522
  224   HD13  ILE  34          HD13      ILE  34  48.627 -16.211   2.282
  225    H    TYR  35           HN       TYR  35  50.751 -12.084   2.926
  226    HA   TYR  35           HA       TYR  35  50.636 -11.721   5.744
  227    HB2  TYR  35           HB2      TYR  35  52.741 -11.593   3.644
  228    HB3  TYR  35           HB1      TYR  35  53.078 -10.787   5.177
  229    HD1  TYR  35           HD1      TYR  35  52.745 -12.122   7.343
  230    HD2  TYR  35           HD2      TYR  35  52.899 -13.943   3.456
  231    HE1  TYR  35           HE1      TYR  35  53.236 -14.316   8.390
  232    HE2  TYR  35           HE2      TYR  35  53.388 -16.137   4.503
  233    HH   TYR  35           HH       TYR  35  54.569 -16.682   7.157
  234    H    MET  36           HN       MET  36  49.509  -9.713   3.481
  235    HA   MET  36           HA       MET  36  50.509  -7.239   4.725
  236    HB2  MET  36           HB2      MET  36  48.954  -7.738   2.178
  237    HB3  MET  36           HB1      MET  36  49.336  -6.131   2.799
  238    HG2  MET  36           HG2      MET  36  51.439  -8.241   2.258
  239    HG3  MET  36           HG1      MET  36  50.973  -7.015   1.079
  240    HE1  MET  36           HE1      MET  36  54.405  -5.997   2.139
  241    HE2  MET  36           HE2      MET  36  53.535  -7.399   1.521
  242    HE3  MET  36           HE3      MET  36  54.114  -7.394   3.185
  243    H    LEU  37           HN       LEU  37  47.355  -8.154   3.344
  244    HA   LEU  37           HA       LEU  37  45.793  -6.470   4.894
  245    HB2  LEU  37           HB2      LEU  37  45.109  -9.188   3.752
  246    HB3  LEU  37           HB1      LEU  37  43.925  -8.053   4.400
  247    HG   LEU  37           HG       LEU  37  45.809  -6.917   2.419
  248   HD11  LEU  37          HD11      LEU  37  43.689  -8.949   1.655
  249   HD12  LEU  37          HD12      LEU  37  45.426  -9.096   1.387
  250   HD13  LEU  37          HD13      LEU  37  44.501  -7.873   0.518
  251   HD21  LEU  37          HD21      LEU  37  43.759  -5.831   3.544
  252   HD22  LEU  37          HD22      LEU  37  42.786  -6.850   2.483
  253   HD23  LEU  37          HD23      LEU  37  43.889  -5.659   1.793
  254    H    VAL  38           HN       VAL  38  47.637  -9.070   5.949
  255    HA   VAL  38           HA       VAL  38  45.923  -9.582   8.287
  256    HB   VAL  38           HB       VAL  38  48.355 -11.020   7.208
  257   HG11  VAL  38          HG11      VAL  38  47.370 -12.671   9.103
  258   HG12  VAL  38          HG12      VAL  38  46.967 -11.120   9.839
  259   HG13  VAL  38          HG13      VAL  38  48.642 -11.496   9.436
  260   HG21  VAL  38          HG21      VAL  38  45.421 -11.754   7.463
  261   HG22  VAL  38          HG22      VAL  38  46.687 -12.867   6.943
  262   HG23  VAL  38          HG23      VAL  38  46.298 -11.454   5.963
  263    H    PHE  39           HN       PHE  39  49.106  -8.396   7.342
  264    HA   PHE  39           HA       PHE  39  49.818  -7.872  10.133
  265    HB2  PHE  39           HB2      PHE  39  51.384  -8.752   8.191
  266    HB3  PHE  39           HB1      PHE  39  51.533  -7.031   7.833
  267    HD1  PHE  39           HD1      PHE  39  51.789  -9.502  10.630
  268    HD2  PHE  39           HD2      PHE  39  52.977  -5.668   9.098
  269    HE1  PHE  39           HE1      PHE  39  53.391  -9.248  12.507
  270    HE2  PHE  39           HE2      PHE  39  54.579  -5.415  10.975
  271    HZ   PHE  39           HZ       PHE  39  54.785  -7.205  12.679
  272    H    LEU  40           HN       LEU  40  47.599  -6.431   8.957
  273    HA   LEU  40           HA       LEU  40  48.645  -3.697   9.289
  274    HB2  LEU  40           HB2      LEU  40  47.042  -4.780   7.004
  275    HB3  LEU  40           HB1      LEU  40  46.783  -3.114   7.521
  276    HG   LEU  40           HG       LEU  40  49.602  -4.038   7.172
  277   HD11  LEU  40          HD11      LEU  40  47.577  -3.707   4.985
  278   HD12  LEU  40          HD12      LEU  40  48.923  -4.842   5.099
  279   HD13  LEU  40          HD13      LEU  40  49.227  -3.148   4.706
  280   HD21  LEU  40          HD21      LEU  40  49.897  -1.709   6.496
  281   HD22  LEU  40          HD22      LEU  40  48.981  -1.761   8.002
  282   HD23  LEU  40          HD23      LEU  40  48.151  -1.464   6.474
  283    H    LEU  41           HN       LEU  41  46.657  -6.037  10.391
  284    HA   LEU  41           HA       LEU  41  44.581  -4.138  11.307
  285    HB2  LEU  41           HB2      LEU  41  44.393  -7.154  11.302
  286    HB3  LEU  41           HB1      LEU  41  43.089  -5.990  11.538
  287    HG   LEU  41           HG       LEU  41  44.699  -6.356   8.994
  288   HD11  LEU  41          HD11      LEU  41  42.299  -7.611  10.033
  289   HD12  LEU  41          HD12      LEU  41  43.192  -7.974   8.556
  290   HD13  LEU  41          HD13      LEU  41  41.948  -6.725   8.550
  291   HD21  LEU  41          HD21      LEU  41  42.677  -4.831   8.214
  292   HD22  LEU  41          HD22      LEU  41  44.117  -4.104   8.928
  293   HD23  LEU  41          HD23      LEU  41  42.672  -4.345   9.909
  294    H    GLY  42           HN       GLY  42  46.732  -6.773  12.302
  295    HA2  GLY  42           HA2      GLY  42  46.039  -6.678  15.068
  296    HA3  GLY  42           HA1      GLY  42  47.466  -7.449  14.381
  297    H    THR  43           HN       THR  43  47.580  -4.441  13.168
  298    HA   THR  43           HA       THR  43  48.868  -3.222  15.521
  299    HB   THR  43           HB       THR  43  50.783  -4.049  14.467
  300    HG1  THR  43           HG1      THR  43  51.756  -2.241  13.797
  301   HG21  THR  43          HG21      THR  43  50.131  -5.056  12.494
  302   HG22  THR  43          HG22      THR  43  50.919  -3.618  11.843
  303   HG23  THR  43          HG23      THR  43  49.163  -3.672  11.986
  304    H    THR  44           HN       THR  44  49.402  -1.907  12.395
  305    HA   THR  44           HA       THR  44  48.942   0.267  11.694
  306    HB   THR  44           HB       THR  44  47.371  -1.084  10.449
  307    HG1  THR  44           HG1      THR  44  47.102   1.395  10.921
  308   HG21  THR  44          HG21      THR  44  45.030  -1.372  11.371
  309   HG22  THR  44          HG22      THR  44  45.655  -0.840  12.931
  310   HG23  THR  44          HG23      THR  44  46.270  -2.319  12.192
  311    H    GLY  45           HN       GLY  45  49.305   0.398  14.423
  312    HA2  GLY  45           HA2      GLY  45  48.973   2.421  15.714
  313    HA3  GLY  45           HA1      GLY  45  47.294   2.427  15.185
  314    H    ASN  46           HN       ASN  46  46.466  -0.117  15.648
  315    HA   ASN  46           HA       ASN  46  46.104  -0.134  18.484
  316    HB2  ASN  46           HB2      ASN  46  44.468  -1.670  18.086
  317    HB3  ASN  46           HB1      ASN  46  44.640  -1.085  16.431
  318   HD21  ASN  46          HD21      ASN  46  45.776  -2.461  14.890
  319   HD22  ASN  46          HD22      ASN  46  46.109  -4.089  15.239
  320    H    GLY  47           HN       GLY  47  48.813  -0.765  16.970
  321    HA2  GLY  47           HA2      GLY  47  49.460  -3.309  18.288
  322    HA3  GLY  47           HA1      GLY  47  50.450  -2.481  17.090
  323    H    LEU  48           HN       LEU  48  49.524  -0.049  18.989
  324    HA   LEU  48           HA       LEU  48  51.511  -0.483  21.110
  325    HB2  LEU  48           HB2      LEU  48  52.401   1.845  20.645
  326    HB3  LEU  48           HB1      LEU  48  52.828   0.621  19.449
  327    HG   LEU  48           HG       LEU  48  50.272   1.927  18.866
  328   HD11  LEU  48          HD11      LEU  48  52.820   3.575  18.922
  329   HD12  LEU  48          HD12      LEU  48  51.369   3.865  19.881
  330   HD13  LEU  48          HD13      LEU  48  51.323   4.066  18.130
  331   HD21  LEU  48          HD21      LEU  48  51.598   0.457  17.333
  332   HD22  LEU  48          HD22      LEU  48  52.858   1.691  17.295
  333   HD23  LEU  48          HD23      LEU  48  51.260   2.042  16.637
  334    H    VAL  49           HN       VAL  49  48.531   0.675  20.059
  335    HA   VAL  49           HA       VAL  49  48.227   2.502  22.347
  336    HB   VAL  49           HB       VAL  49  46.411   1.995  19.977
  337   HG11  VAL  49          HG11      VAL  49  46.034   3.346  22.536
  338   HG12  VAL  49          HG12      VAL  49  44.847   2.957  21.292
  339   HG13  VAL  49          HG13      VAL  49  45.795   4.439  21.172
  340   HG21  VAL  49          HG21      VAL  49  47.777   3.426  18.897
  341   HG22  VAL  49          HG22      VAL  49  48.775   3.610  20.340
  342   HG23  VAL  49          HG23      VAL  49  47.376   4.657  20.094
  343    H    LEU  50           HN       LEU  50  46.679  -0.316  20.821
  344    HA   LEU  50           HA       LEU  50  45.056  -0.733  23.230
  345    HB2  LEU  50           HB2      LEU  50  43.906  -0.887  21.077
  346    HB3  LEU  50           HB1      LEU  50  45.031  -2.139  20.548
  347    HG   LEU  50           HG       LEU  50  43.808  -2.736  23.142
  348   HD11  LEU  50          HD11      LEU  50  42.047  -2.528  20.679
  349   HD12  LEU  50          HD12      LEU  50  41.902  -1.548  22.138
  350   HD13  LEU  50          HD13      LEU  50  41.580  -3.280  22.204
  351   HD21  LEU  50          HD21      LEU  50  43.771  -4.245  20.512
  352   HD22  LEU  50          HD22      LEU  50  43.561  -4.918  22.129
  353   HD23  LEU  50          HD23      LEU  50  45.130  -4.280  21.636
  354    H    TRP  51           HN       TRP  51  47.132  -2.698  21.084
  355    HA   TRP  51           HA       TRP  51  47.356  -4.991  22.557
  356    HB2  TRP  51           HB2      TRP  51  48.668  -5.348  20.767
  357    HB3  TRP  51           HB1      TRP  51  48.989  -3.626  20.566
  358    HD1  TRP  51           HD1      TRP  51  50.996  -2.576  22.045
  359    HE1  TRP  51           HE1      TRP  51  53.136  -3.670  22.977
  360    HE3  TRP  51           HE3      TRP  51  49.697  -7.501  21.687
  361    HZ2  TRP  51           HZ2      TRP  51  54.161  -6.289  23.502
  362    HZ3  TRP  51           HZ3      TRP  51  51.272  -9.273  22.409
  363    HH2  TRP  51           HH2      TRP  51  53.501  -8.672  23.315
  364    H    THR  52           HN       THR  52  48.989  -1.916  23.124
  365    HA   THR  52           HA       THR  52  50.839  -2.728  25.060
  366    HB   THR  52           HB       THR  52  50.809  -0.479  24.024
  367    HG1  THR  52           HG1      THR  52  51.837  -0.841  26.050
  368   HG21  THR  52          HG21      THR  52  49.115   1.049  24.350
  369   HG22  THR  52          HG22      THR  52  48.685   0.392  25.930
  370   HG23  THR  52          HG23      THR  52  48.175  -0.439  24.460
  371    H    VAL  53           HN       VAL  53  47.411  -1.946  25.325
  372    HA   VAL  53           HA       VAL  53  47.121  -1.732  28.074
  373    HB   VAL  53           HB       VAL  53  45.225  -3.097  26.147
  374   HG11  VAL  53          HG11      VAL  53  45.138  -2.588  28.992
  375   HG12  VAL  53          HG12      VAL  53  43.955  -3.418  27.980
  376   HG13  VAL  53          HG13      VAL  53  43.875  -1.667  28.175
  377   HG21  VAL  53          HG21      VAL  53  45.389  -0.197  27.032
  378   HG22  VAL  53          HG22      VAL  53  44.215  -0.880  25.905
  379   HG23  VAL  53          HG23      VAL  53  45.920  -0.799  25.461
  380    H    PHE  54           HN       PHE  54  47.042  -4.684  26.083
  381    HA   PHE  54           HA       PHE  54  46.686  -6.465  28.274
  382    HB2  PHE  54           HB2      PHE  54  47.129  -6.658  25.390
  383    HB3  PHE  54           HB1      PHE  54  47.921  -7.948  26.295
  384    HD1  PHE  54           HD2      PHE  54  44.651  -6.150  25.985
  385    HD2  PHE  54           HD1      PHE  54  46.675  -9.780  27.077
  386    HE1  PHE  54           HE2      PHE  54  42.464  -7.277  26.298
  387    HE2  PHE  54           HE1      PHE  54  44.488 -10.905  27.389
  388    HZ   PHE  54           HZ       PHE  54  42.382  -9.654  27.000
  389    H    ARG  55           HN       ARG  55  49.343  -4.645  27.250
  390    HA   ARG  55           HA       ARG  55  51.301  -6.521  28.387
  391    HB2  ARG  55           HB2      ARG  55  51.865  -5.535  26.216
  392    HB3  ARG  55           HB1      ARG  55  51.698  -3.915  26.896
  393    HG2  ARG  55           HG2      ARG  55  53.730  -4.001  27.897
  394    HG3  ARG  55           HG1      ARG  55  53.485  -5.659  28.446
  395    HD2  ARG  55           HD2      ARG  55  54.055  -5.000  25.555
  396    HD3  ARG  55           HD1      ARG  55  55.346  -5.286  26.718
  397    HE   ARG  55           HE       ARG  55  53.367  -7.383  26.701
  398   HH11  ARG  55          HH21      ARG  55  56.202  -6.093  25.192
  399   HH12  ARG  55          HH22      ARG  55  56.733  -7.621  24.570
  400   HH21  ARG  55          HH11      ARG  55  54.058  -9.389  25.890
  401   HH22  ARG  55          HH12      ARG  55  55.520  -9.486  24.965
  402    H    LYS  56           HN       LYS  56  49.842  -3.365  28.891
  403    HA   LYS  56           HA       LYS  56  51.539  -2.314  30.836
  404    HB2  LYS  56           HB2      LYS  56  48.539  -2.063  30.540
  405    HB3  LYS  56           HB1      LYS  56  49.510  -1.081  31.637
  406    HG2  LYS  56           HG2      LYS  56  50.481  -1.218  28.839
  407    HG3  LYS  56           HG1      LYS  56  48.964  -0.350  29.082
  408    HD2  LYS  56           HD2      LYS  56  50.019   1.053  30.800
  409    HD3  LYS  56           HD1      LYS  56  51.534   0.169  30.605
  410    HE2  LYS  56           HE2      LYS  56  52.009   1.153  28.576
  411    HE3  LYS  56           HE1      LYS  56  50.308   1.341  28.151
  412    HZ1  LYS  56           HZ1      LYS  56  52.058   3.160  29.496
  413    HZ2  LYS  56           HZ2      LYS  56  50.616   2.903  30.359
  414    HZ3  LYS  56           HZ3      LYS  56  50.561   3.451  28.751
  415    H    LYS  57           HN       LYS  57  49.382  -4.995  31.000
  416    HA   LYS  57           HA       LYS  57  49.270  -4.992  33.916
  417    HB2  LYS  57           HB2      LYS  57  48.302  -7.186  32.087
  418    HB3  LYS  57           HB1      LYS  57  47.749  -6.793  33.716
  419    HG2  LYS  57           HG2      LYS  57  47.363  -5.103  31.228
  420    HG3  LYS  57           HG1      LYS  57  46.110  -5.979  32.107
  421    HD2  LYS  57           HD2      LYS  57  46.860  -4.585  34.157
  422    HD3  LYS  57           HD1      LYS  57  47.657  -3.543  32.978
  423    HE2  LYS  57           HE2      LYS  57  45.509  -3.243  31.793
  424    HE3  LYS  57           HE1      LYS  57  44.712  -4.271  32.985
  425    HZ1  LYS  57           HZ1      LYS  57  44.339  -2.303  33.979
  426    HZ2  LYS  57           HZ2      LYS  57  45.649  -1.531  33.223
  427    HZ3  LYS  57           HZ3      LYS  57  45.910  -2.521  34.579
  428    H    GLY  58           HN       GLY  58  51.354  -6.080  31.492
  429    HA2  GLY  58           HA2      GLY  58  53.490  -7.014  32.057
  430    HA3  GLY  58           HA1      GLY  58  52.736  -7.825  33.427
  431    H    HIS  59           HN       HIS  59  53.347  -7.931  30.002
  432    HA   HIS  59           HA       HIS  59  51.707 -10.031  29.192
  433    HB2  HIS  59           HB2      HIS  59  52.802  -9.684  27.269
  434    HB3  HIS  59           HB1      HIS  59  53.893  -8.590  28.120
  435    HD2  HIS  59           HD2      HIS  59  56.456  -9.630  28.607
  436    HE1  HIS  59           HE1      HIS  59  55.746 -13.487  27.045
  437    HE2  HIS  59           HE2      HIS  59  57.528 -11.917  27.945
  438    H    HIS  60           HN       HIS  60  54.345 -10.049  31.376
  439    HA   HIS  60           HA       HIS  60  54.773 -12.938  31.096
  440    HB2  HIS  60           HB2      HIS  60  56.741 -12.659  32.315
  441    HB3  HIS  60           HB1      HIS  60  56.635 -11.138  31.428
  442    HD2  HIS  60           HD2      HIS  60  55.474  -8.957  33.072
  443    HE1  HIS  60           HE1      HIS  60  56.578 -10.816  36.699
  444    HE2  HIS  60           HE2      HIS  60  55.772  -8.649  35.648
  445    H    HIS  61           HN       HIS  61  53.107 -10.640  33.051
  446    HA   HIS  61           HA       HIS  61  51.742 -10.862  34.885
  447    HB2  HIS  61           HB2      HIS  61  51.259 -13.067  33.318
  448    HB3  HIS  61           HB1      HIS  61  51.666 -13.797  34.870
  449    HD2  HIS  61           HD2      HIS  61  48.905 -11.428  33.355
  450    HE1  HIS  61           HE1      HIS  61  47.715 -12.532  37.253
  451    HE2  HIS  61           HE2      HIS  61  46.992 -11.339  35.131
  452    H    HIS  62           HN       HIS  62  52.328 -10.650  36.944
  453    HA   HIS  62           HA       HIS  62  54.797 -11.762  37.904
  454    HB2  HIS  62           HB2      HIS  62  52.817 -10.556  39.778
  455    HB3  HIS  62           HB1      HIS  62  54.563 -10.326  39.684
  456    HD2  HIS  62           HD2      HIS  62  51.454  -8.395  38.745
  457    HE1  HIS  62           HE1      HIS  62  54.466  -6.946  36.165
  458    HE2  HIS  62           HE2      HIS  62  52.120  -6.528  37.045
  459    H    HIS  63           HN       HIS  63  51.364 -12.419  38.402
  460    HA   HIS  63           HA       HIS  63  50.280 -14.057  39.619
  461    HB2  HIS  63           HB2      HIS  63  51.524 -15.197  37.602
  462    HB3  HIS  63           HB1      HIS  63  52.511 -15.912  38.877
  463    HD2  HIS  63           HD2      HIS  63  48.587 -15.661  38.167
  464    HE1  HIS  63           HE1      HIS  63  49.430 -19.302  40.132
  465    HE2  HIS  63           HE2      HIS  63  47.594 -17.896  39.083
  466    H    HIS  64           HN       HIS  64  51.916 -12.483  41.257
  467    HA   HIS  64           HA       HIS  64  53.693 -13.953  42.888
  468    HB2  HIS  64           HB2      HIS  64  53.352 -12.119  44.526
  469    HB3  HIS  64           HB1      HIS  64  53.674 -11.515  42.900
  470    HD2  HIS  64           HD2      HIS  64  50.444 -12.100  45.162
  471    HE1  HIS  64           HE1      HIS  64  49.653  -9.032  42.372
  472    HE2  HIS  64           HE2      HIS  64  48.713 -10.323  44.346
  Start of MODEL   28
    1    H1   MET   1           HT1      MET   1  33.307  -0.987 -41.113
    2    H2   MET   1           HT2      MET   1  34.695  -1.872 -41.532
    3    H3   MET   1           HT3      MET   1  33.595  -1.391 -42.735
    4    HA   MET   1           HA       MET   1  34.727   0.464 -43.050
    5    HB2  MET   1           HB2      MET   1  34.030   0.825 -40.130
    6    HB3  MET   1           HB1      MET   1  34.878   2.067 -41.053
    7    HG2  MET   1           HG2      MET   1  33.043   2.544 -42.363
    8    HG3  MET   1           HG1      MET   1  32.410   0.900 -42.262
    9    HE1  MET   1           HE1      MET   1  33.230   4.107 -40.400
   10    HE2  MET   1           HE2      MET   1  33.682   2.960 -39.141
   11    HE3  MET   1           HE3      MET   1  32.303   4.029 -38.896
   12    H    GLU   2           HN       GLU   2  36.763   1.697 -42.443
   13    HA   GLU   2           HA       GLU   2  38.846  -0.226 -41.849
   14    HB2  GLU   2           HB2      GLU   2  38.961   2.718 -42.545
   15    HB3  GLU   2           HB1      GLU   2  40.370   1.670 -42.368
   16    HG2  GLU   2           HG2      GLU   2  38.184   0.759 -44.186
   17    HG3  GLU   2           HG1      GLU   2  39.221   2.069 -44.746
   18    H    GLU   3           HN       GLU   3  39.374  -0.683 -39.814
   19    HA   GLU   3           HA       GLU   3  39.042   1.379 -37.741
   20    HB2  GLU   3           HB2      GLU   3  39.619  -0.729 -36.271
   21    HB3  GLU   3           HB1      GLU   3  38.004  -0.537 -36.951
   22    HG2  GLU   3           HG2      GLU   3  38.525  -2.014 -38.789
   23    HG3  GLU   3           HG1      GLU   3  40.223  -2.076 -38.321
   24    H    GLY   4           HN       GLY   4  41.436  -0.667 -39.298
   25    HA2  GLY   4           HA2      GLY   4  43.724  -0.150 -39.506
   26    HA3  GLY   4           HA1      GLY   4  43.562   1.003 -38.184
   27    H    GLY   5           HN       GLY   5  45.257  -1.548 -38.852
   28    HA2  GLY   5           HA2      GLY   5  45.667  -2.327 -36.136
   29    HA3  GLY   5           HA1      GLY   5  44.802  -3.577 -37.026
   30    H    ASP   6           HN       ASP   6  46.989  -4.588 -36.245
   31    HA   ASP   6           HA       ASP   6  48.752  -4.600 -38.589
   32    HB2  ASP   6           HB2      ASP   6  49.966  -4.538 -35.839
   33    HB3  ASP   6           HB1      ASP   6  50.735  -4.229 -37.395
   34    H    PHE   7           HN       PHE   7  48.041  -6.024 -35.408
   35    HA   PHE   7           HA       PHE   7  47.977  -8.208 -34.700
   36    HB2  PHE   7           HB2      PHE   7  46.603  -8.261 -36.953
   37    HB3  PHE   7           HB1      PHE   7  47.992  -9.185 -37.527
   38    HD1  PHE   7           HD1      PHE   7  45.511  -9.014 -34.732
   39    HD2  PHE   7           HD2      PHE   7  48.198 -11.471 -37.010
   40    HE1  PHE   7           HE1      PHE   7  44.652 -11.029 -33.570
   41    HE2  PHE   7           HE2      PHE   7  47.338 -13.487 -35.848
   42    HZ   PHE   7           HZ       PHE   7  45.566 -13.266 -34.128
   43    H    ASP   8           HN       ASP   8  50.492  -7.032 -34.880
   44    HA   ASP   8           HA       ASP   8  52.147  -9.406 -35.397
   45    HB2  ASP   8           HB2      ASP   8  52.156  -7.532 -37.274
   46    HB3  ASP   8           HB1      ASP   8  53.264  -6.743 -36.153
   47    H    ASN   9           HN       ASN   9  51.211  -8.532 -32.922
   48    HA   ASN   9           HA       ASN   9  53.723  -8.071 -31.555
   49    HB2  ASN   9           HB2      ASN   9  52.625  -5.783 -32.204
   50    HB3  ASN   9           HB1      ASN   9  51.522  -6.149 -30.877
   51   HD21  ASN   9          HD21      ASN   9  55.094  -6.396 -31.421
   52   HD22  ASN   9          HD22      ASN   9  55.505  -5.708 -29.926
   53    H    TYR  10           HN       TYR  10  53.595  -9.760 -30.203
   54    HA   TYR  10           HA       TYR  10  52.911 -11.048 -28.436
   55    HB2  TYR  10           HB2      TYR  10  52.025  -8.556 -27.856
   56    HB3  TYR  10           HB1      TYR  10  50.506  -9.453 -27.858
   57    HD1  TYR  10           HD2      TYR  10  54.040  -9.822 -26.642
   58    HD2  TYR  10           HD1      TYR  10  49.871 -10.519 -25.875
   59    HE1  TYR  10           HE2      TYR  10  54.606 -10.765 -24.419
   60    HE2  TYR  10           HE1      TYR  10  50.437 -11.461 -23.652
   61    HH   TYR  10           HH       TYR  10  53.122 -10.971 -22.079
   62    H    TYR  11           HN       TYR  11  50.351  -9.889 -30.593
   63    HA   TYR  11           HA       TYR  11  48.385 -10.900 -31.292
   64    HB2  TYR  11           HB2      TYR  11  49.345 -13.476 -31.890
   65    HB3  TYR  11           HB1      TYR  11  49.256 -12.090 -32.977
   66    HD1  TYR  11           HD2      TYR  11  51.204 -10.438 -33.006
   67    HD2  TYR  11           HD1      TYR  11  51.435 -14.300 -31.141
   68    HE1  TYR  11           HE2      TYR  11  53.681 -10.314 -33.056
   69    HE2  TYR  11           HE1      TYR  11  53.911 -14.176 -31.191
   70    HH   TYR  11           HH       TYR  11  55.599 -11.905 -33.039
   71    H    GLY  12           HN       GLY  12  47.080 -11.057 -29.481
   72    HA2  GLY  12           HA2      GLY  12  45.753 -12.182 -27.970
   73    HA3  GLY  12           HA1      GLY  12  46.419 -13.685 -28.604
   74    H    ALA  13           HN       ALA  13  48.855 -13.962 -27.956
   75    HA   ALA  13           HA       ALA  13  49.654 -12.867 -25.428
   76    HB1  ALA  13           HB1      ALA  13  47.870 -14.510 -24.758
   77    HB2  ALA  13           HB2      ALA  13  49.461 -14.847 -24.074
   78    HB3  ALA  13           HB3      ALA  13  48.873 -15.788 -25.445
   79    H    ASP  14           HN       ASP  14  50.087 -16.131 -26.771
   80    HA   ASP  14           HA       ASP  14  51.938 -17.206 -27.604
   81    HB2  ASP  14           HB2      ASP  14  51.920 -14.775 -28.864
   82    HB3  ASP  14           HB1      ASP  14  53.516 -14.779 -28.115
   83    H    ASN  15           HN       ASN  15  51.901 -15.361 -24.894
   84    HA   ASN  15           HA       ASN  15  54.382 -16.562 -23.922
   85    HB2  ASN  15           HB2      ASN  15  53.871 -13.592 -23.648
   86    HB3  ASN  15           HB1      ASN  15  55.276 -14.484 -23.065
   87   HD21  ASN  15          HD21      ASN  15  56.476 -15.744 -24.927
   88   HD22  ASN  15          HD22      ASN  15  56.628 -14.916 -26.401
   89    H    GLN  16           HN       GLN  16  52.680 -17.803 -22.818
   90    HA   GLN  16           HA       GLN  16  51.342 -16.337 -20.641
   91    HB2  GLN  16           HB2      GLN  16  50.920 -19.150 -21.681
   92    HB3  GLN  16           HB1      GLN  16  50.006 -18.402 -20.371
   93    HG2  GLN  16           HG2      GLN  16  48.630 -17.459 -21.876
   94    HG3  GLN  16           HG1      GLN  16  49.997 -16.587 -22.568
   95   HE21  GLN  16          HE21      GLN  16  51.457 -18.231 -24.001
   96   HE22  GLN  16          HE22      GLN  16  50.559 -19.183 -25.082
   97    H    SER  17           HN       SER  17  53.520 -19.053 -21.282
   98    HA   SER  17           HA       SER  17  53.918 -19.504 -18.422
   99    HB2  SER  17           HB2      SER  17  55.065 -20.885 -20.857
  100    HB3  SER  17           HB1      SER  17  55.393 -21.354 -19.191
  101    HG   SER  17           HG       SER  17  53.069 -21.559 -18.969
  102    H    GLU  18           HN       GLU  18  55.101 -17.413 -20.697
  103    HA   GLU  18           HA       GLU  18  57.832 -17.390 -19.590
  104    HB2  GLU  18           HB2      GLU  18  56.978 -17.183 -22.187
  105    HB3  GLU  18           HB1      GLU  18  57.186 -15.490 -21.738
  106    HG2  GLU  18           HG2      GLU  18  59.470 -16.002 -20.921
  107    HG3  GLU  18           HG1      GLU  18  59.263 -17.678 -21.427
  108    H    CYS  19           HN       CYS  19  55.051 -16.222 -18.621
  109    HA   CYS  19           HA       CYS  19  56.239 -13.895 -17.370
  110    HB2  CYS  19           HB2      CYS  19  54.403 -13.655 -19.658
  111    HB3  CYS  19           HB1      CYS  19  53.943 -12.702 -18.247
  112    HG   CYS  19           HG       CYS  19  56.868 -12.464 -19.288
  113    H    GLU  20           HN       GLU  20  53.416 -15.927 -17.941
  114    HA   GLU  20           HA       GLU  20  51.579 -16.392 -16.609
  115    HB2  GLU  20           HB2      GLU  20  53.939 -17.281 -15.461
  116    HB3  GLU  20           HB1      GLU  20  53.132 -16.445 -14.134
  117    HG2  GLU  20           HG2      GLU  20  51.079 -17.750 -14.562
  118    HG3  GLU  20           HG1      GLU  20  51.894 -18.595 -15.878
  119    H    TYR  21           HN       TYR  21  52.270 -13.530 -16.899
  120    HA   TYR  21           HA       TYR  21  51.374 -11.550 -16.140
  121    HB2  TYR  21           HB2      TYR  21  50.132 -12.893 -13.772
  122    HB3  TYR  21           HB1      TYR  21  49.509 -11.580 -14.770
  123    HD1  TYR  21           HD2      TYR  21  49.727 -12.542 -17.485
  124    HD2  TYR  21           HD1      TYR  21  48.655 -14.705 -13.931
  125    HE1  TYR  21           HE2      TYR  21  48.471 -14.180 -18.860
  126    HE2  TYR  21           HE1      TYR  21  47.400 -16.342 -15.306
  127    HH   TYR  21           HH       TYR  21  46.363 -15.846 -18.263
  128    H    THR  22           HN       THR  22  52.131 -13.548 -13.270
  129    HA   THR  22           HA       THR  22  54.410 -11.952 -12.582
  130    HB   THR  22           HB       THR  22  52.330 -11.729 -10.473
  131    HG1  THR  22           HG1      THR  22  52.401  -9.892 -12.609
  132   HG21  THR  22          HG21      THR  22  53.463  -9.580 -10.120
  133   HG22  THR  22          HG22      THR  22  54.416  -9.831 -11.582
  134   HG23  THR  22          HG23      THR  22  54.641 -10.891 -10.192
  135    H    ASP  23           HN       ASP  23  53.944 -14.698 -12.977
  136    HA   ASP  23           HA       ASP  23  54.540 -15.727 -10.272
  137    HB2  ASP  23           HB2      ASP  23  52.314 -16.429 -11.937
  138    HB3  ASP  23           HB1      ASP  23  53.385 -17.821 -11.794
  139    H    TRP  24           HN       TRP  24  55.632 -15.189 -13.327
  140    HA   TRP  24           HA       TRP  24  56.997 -17.629 -13.906
  141    HB2  TRP  24           HB2      TRP  24  58.031 -16.445 -15.670
  142    HB3  TRP  24           HB1      TRP  24  56.438 -15.705 -15.517
  143    HD1  TRP  24           HD1      TRP  24  56.291 -13.266 -14.507
  144    HE1  TRP  24           HE1      TRP  24  58.059 -11.424 -14.152
  145    HE3  TRP  24           HE3      TRP  24  60.556 -16.013 -15.091
  146    HZ2  TRP  24           HZ2      TRP  24  60.906 -11.151 -14.121
  147    HZ3  TRP  24           HZ3      TRP  24  62.780 -14.938 -14.893
  148    HH2  TRP  24           HH2      TRP  24  62.959 -12.513 -14.410
  149    H    LYS  25           HN       LYS  25  57.464 -15.259 -11.564
  150    HA   LYS  25           HA       LYS  25  60.205 -16.228 -11.077
  151    HB2  LYS  25           HB2      LYS  25  60.638 -13.826 -10.199
  152    HB3  LYS  25           HB1      LYS  25  60.690 -14.107 -11.936
  153    HG2  LYS  25           HG2      LYS  25  59.390 -12.091 -11.466
  154    HG3  LYS  25           HG1      LYS  25  58.329 -13.339 -12.111
  155    HD2  LYS  25           HD2      LYS  25  57.321 -13.737 -10.040
  156    HD3  LYS  25           HD1      LYS  25  58.690 -13.086  -9.137
  157    HE2  LYS  25           HE2      LYS  25  58.144 -10.821  -9.887
  158    HE3  LYS  25           HE1      LYS  25  56.817 -11.446 -10.867
  159    HZ1  LYS  25           HZ1      LYS  25  55.564 -11.930  -9.029
  160    HZ2  LYS  25           HZ2      LYS  25  56.375 -10.538  -8.489
  161    HZ3  LYS  25           HZ3      LYS  25  56.904 -12.077  -8.001
  162    H    SER  26           HN       SER  26  57.136 -16.051  -9.983
  163    HA   SER  26           HA       SER  26  56.119 -16.008  -7.901
  164    HB2  SER  26           HB2      SER  26  57.182 -17.649  -6.346
  165    HB3  SER  26           HB1      SER  26  56.975 -18.268  -7.982
  166    HG   SER  26           HG       SER  26  59.189 -17.562  -8.337
  167    H    SER  27           HN       SER  27  56.516 -13.708  -7.564
  168    HA   SER  27           HA       SER  27  57.891 -13.243  -5.074
  169    HB2  SER  27           HB2      SER  27  59.644 -13.079  -6.992
  170    HB3  SER  27           HB1      SER  27  58.847 -11.553  -7.367
  171    HG   SER  27           HG       SER  27  60.456 -12.257  -5.246
  172    H    GLY  28           HN       GLY  28  55.240 -12.949  -6.550
  173    HA2  GLY  28           HA2      GLY  28  54.598 -10.325  -5.443
  174    HA3  GLY  28           HA1      GLY  28  54.325 -10.525  -7.171
  175    H    ALA  29           HN       ALA  29  53.955 -13.316  -5.190
  176    HA   ALA  29           HA       ALA  29  51.048 -12.941  -4.977
  177    HB1  ALA  29           HB1      ALA  29  52.428 -14.810  -6.779
  178    HB2  ALA  29           HB2      ALA  29  50.766 -14.221  -6.820
  179    HB3  ALA  29           HB3      ALA  29  51.200 -15.563  -5.761
  180    H    LEU  30           HN       LEU  30  53.942 -13.852  -3.631
  181    HA   LEU  30           HA       LEU  30  52.673 -15.685  -1.693
  182    HB2  LEU  30           HB2      LEU  30  55.636 -15.207  -2.108
  183    HB3  LEU  30           HB1      LEU  30  54.883 -16.471  -1.143
  184    HG   LEU  30           HG       LEU  30  55.573 -17.473  -3.224
  185   HD11  LEU  30          HD11      LEU  30  52.631 -16.990  -3.642
  186   HD12  LEU  30          HD12      LEU  30  53.207 -17.902  -2.246
  187   HD13  LEU  30          HD13      LEU  30  53.554 -18.475  -3.877
  188   HD21  LEU  30          HD21      LEU  30  53.819 -15.856  -4.971
  189   HD22  LEU  30          HD22      LEU  30  55.437 -16.488  -5.274
  190   HD23  LEU  30          HD23      LEU  30  55.230 -14.998  -4.357
  191    H    ILE  31           HN       ILE  31  54.605 -12.749  -2.024
  192    HA   ILE  31           HA       ILE  31  54.682 -12.312   0.835
  193    HB   ILE  31           HB       ILE  31  55.895 -11.084  -1.556
  194   HG12  ILE  31          HG12      ILE  31  57.798 -10.931  -0.033
  195   HG13  ILE  31          HG11      ILE  31  56.761 -11.326   1.339
  196   HG21  ILE  31          HG21      ILE  31  56.396  -8.965  -0.261
  197   HG22  ILE  31          HG22      ILE  31  55.107  -9.412   0.851
  198   HG23  ILE  31          HG23      ILE  31  54.739  -9.087  -0.846
  199   HD11  ILE  31          HD11      ILE  31  58.186 -13.185  -0.041
  200   HD12  ILE  31          HD12      ILE  31  56.659 -13.237  -0.923
  201   HD13  ILE  31          HD13      ILE  31  56.686 -13.547   0.813
  202    HA   PRO  32           HA       PRO  32  51.418  -9.054  -0.241
  203    HB2  PRO  32           HB2      PRO  32  50.228  -9.064  -2.676
  204    HB3  PRO  32           HB1      PRO  32  51.783  -8.265  -2.379
  205    HG2  PRO  32           HG2      PRO  32  51.201 -10.771  -3.806
  206    HG3  PRO  32           HG1      PRO  32  52.558  -9.650  -3.988
  207    HD2  PRO  32           HD2      PRO  32  52.543 -12.126  -2.561
  208    HD3  PRO  32           HD1      PRO  32  53.861 -10.939  -2.642
  209    H    ALA  33           HN       ALA  33  51.165 -12.153   0.026
  210    HA   ALA  33           HA       ALA  33  48.212 -12.278  -0.164
  211    HB1  ALA  33           HB1      ALA  33  48.392 -14.653  -0.488
  212    HB2  ALA  33           HB2      ALA  33  50.128 -14.615  -0.180
  213    HB3  ALA  33           HB3      ALA  33  49.475 -13.874  -1.641
  214    H    ILE  34           HN       ILE  34  50.479 -11.632   1.994
  215    HA   ILE  34           HA       ILE  34  48.991 -12.940   4.173
  216    HB   ILE  34           HB       ILE  34  51.753 -12.754   4.911
  217   HG12  ILE  34          HG12      ILE  34  51.192 -14.346   2.386
  218   HG13  ILE  34          HG11      ILE  34  52.206 -12.907   2.484
  219   HG21  ILE  34          HG21      ILE  34  51.430 -15.113   5.415
  220   HG22  ILE  34          HG22      ILE  34  50.013 -15.178   4.367
  221   HG23  ILE  34          HG23      ILE  34  49.965 -14.236   5.858
  222   HD11  ILE  34          HD11      ILE  34  53.656 -14.844   2.562
  223   HD12  ILE  34          HD12      ILE  34  52.691 -15.568   3.848
  224   HD13  ILE  34          HD13      ILE  34  53.636 -14.113   4.167
  225    H    TYR  35           HN       TYR  35  51.400 -10.496   3.257
  226    HA   TYR  35           HA       TYR  35  51.290  -9.014   5.667
  227    HB2  TYR  35           HB2      TYR  35  52.325  -8.583   2.922
  228    HB3  TYR  35           HB1      TYR  35  51.989  -7.132   3.865
  229    HD1  TYR  35           HD2      TYR  35  53.999 -10.219   3.670
  230    HD2  TYR  35           HD1      TYR  35  53.230  -6.628   5.899
  231    HE1  TYR  35           HE2      TYR  35  56.092 -10.567   4.955
  232    HE2  TYR  35           HE1      TYR  35  55.322  -6.977   7.184
  233    HH   TYR  35           HH       TYR  35  57.320  -9.879   6.687
  234    H    MET  36           HN       MET  36  48.810  -9.643   3.678
  235    HA   MET  36           HA       MET  36  47.626  -6.951   3.801
  236    HB2  MET  36           HB2      MET  36  46.700  -9.452   2.367
  237    HB3  MET  36           HB1      MET  36  45.902  -7.880   2.297
  238    HG2  MET  36           HG2      MET  36  48.822  -8.102   1.616
  239    HG3  MET  36           HG1      MET  36  47.606  -8.532   0.413
  240    HE1  MET  36           HE1      MET  36  49.325  -4.743   0.265
  241    HE2  MET  36           HE2      MET  36  49.620  -6.406  -0.235
  242    HE3  MET  36           HE3      MET  36  49.867  -5.944   1.446
  243    H    LEU  37           HN       LEU  37  46.894 -10.334   4.640
  244    HA   LEU  37           HA       LEU  37  44.712  -9.413   6.379
  245    HB2  LEU  37           HB2      LEU  37  45.469 -12.272   5.780
  246    HB3  LEU  37           HB1      LEU  37  43.929 -11.657   6.383
  247    HG   LEU  37           HG       LEU  37  44.284 -10.231   4.038
  248   HD11  LEU  37          HD11      LEU  37  45.122 -13.107   3.565
  249   HD12  LEU  37          HD12      LEU  37  46.204 -11.718   3.475
  250   HD13  LEU  37          HD13      LEU  37  44.875 -11.876   2.328
  251   HD21  LEU  37          HD21      LEU  37  42.164 -11.148   4.688
  252   HD22  LEU  37          HD22      LEU  37  42.792 -12.795   4.649
  253   HD23  LEU  37          HD23      LEU  37  42.571 -11.899   3.145
  254    H    VAL  38           HN       VAL  38  47.596  -9.054   6.999
  255    HA   VAL  38           HA       VAL  38  47.512 -10.235   9.677
  256    HB   VAL  38           HB       VAL  38  49.872 -10.559   7.807
  257   HG11  VAL  38          HG11      VAL  38  51.015 -10.523   9.771
  258   HG12  VAL  38          HG12      VAL  38  50.314 -12.121  10.026
  259   HG13  VAL  38          HG13      VAL  38  49.548 -10.698  10.734
  260   HG21  VAL  38          HG21      VAL  38  48.235 -12.196   7.232
  261   HG22  VAL  38          HG22      VAL  38  47.803 -12.465   8.922
  262   HG23  VAL  38          HG23      VAL  38  49.359 -13.025   8.309
  263    H    PHE  39           HN       PHE  39  48.444  -7.790   7.464
  264    HA   PHE  39           HA       PHE  39  50.070  -6.383   9.461
  265    HB2  PHE  39           HB2      PHE  39  50.736  -6.583   6.998
  266    HB3  PHE  39           HB1      PHE  39  49.435  -5.440   6.667
  267    HD1  PHE  39           HD1      PHE  39  52.621  -5.920   8.515
  268    HD2  PHE  39           HD2      PHE  39  49.645  -3.115   7.199
  269    HE1  PHE  39           HE1      PHE  39  54.098  -4.041   9.181
  270    HE2  PHE  39           HE2      PHE  39  51.122  -1.238   7.865
  271    HZ   PHE  39           HZ       PHE  39  53.348  -1.700   8.856
  272    H    LEU  40           HN       LEU  40  46.877  -6.687   8.720
  273    HA   LEU  40           HA       LEU  40  46.256  -3.895   9.487
  274    HB2  LEU  40           HB2      LEU  40  44.415  -5.843   8.089
  275    HB3  LEU  40           HB1      LEU  40  44.165  -4.114   8.331
  276    HG   LEU  40           HG       LEU  40  46.387  -5.353   6.680
  277   HD11  LEU  40          HD11      LEU  40  43.749  -4.057   5.987
  278   HD12  LEU  40          HD12      LEU  40  44.392  -5.602   5.429
  279   HD13  LEU  40          HD13      LEU  40  45.087  -4.093   4.837
  280   HD21  LEU  40          HD21      LEU  40  47.270  -3.324   7.448
  281   HD22  LEU  40          HD22      LEU  40  45.691  -2.542   7.496
  282   HD23  LEU  40          HD23      LEU  40  46.484  -2.833   5.948
  283    H    LEU  41           HN       LEU  41  46.977  -5.815  11.426
  284    HA   LEU  41           HA       LEU  41  44.799  -5.590  13.222
  285    HB2  LEU  41           HB2      LEU  41  44.415  -8.082  13.499
  286    HB3  LEU  41           HB1      LEU  41  43.729  -7.361  12.045
  287    HG   LEU  41           HG       LEU  41  46.439  -8.188  11.515
  288   HD11  LEU  41          HD11      LEU  41  46.047  -9.788  13.365
  289   HD12  LEU  41          HD12      LEU  41  46.157 -10.611  11.809
  290   HD13  LEU  41          HD13      LEU  41  44.582 -10.347  12.559
  291   HD21  LEU  41          HD21      LEU  41  43.735  -9.152  10.529
  292   HD22  LEU  41          HD22      LEU  41  45.281  -9.508   9.757
  293   HD23  LEU  41          HD23      LEU  41  44.691  -7.848   9.823
  294    H    GLY  42           HN       GLY  42  47.755  -7.325  12.356
  295    HA2  GLY  42           HA2      GLY  42  48.459  -7.660  15.181
  296    HA3  GLY  42           HA1      GLY  42  49.332  -8.328  13.804
  297    H    THR  43           HN       THR  43  48.343  -5.048  13.607
  298    HA   THR  43           HA       THR  43  50.707  -3.877  14.753
  299    HB   THR  43           HB       THR  43  51.976  -4.367  12.909
  300    HG1  THR  43           HG1      THR  43  52.032  -2.255  12.616
  301   HG21  THR  43          HG21      THR  43  49.319  -4.581  11.519
  302   HG22  THR  43          HG22      THR  43  50.588  -5.796  11.687
  303   HG23  THR  43          HG23      THR  43  50.800  -4.448  10.569
  304    H    THR  44           HN       THR  44  49.065  -2.813  11.820
  305    HA   THR  44           HA       THR  44  47.975  -0.819  11.396
  306    HB   THR  44           HB       THR  44  45.829  -0.984  12.119
  307    HG1  THR  44           HG1      THR  44  45.927  -1.766  14.639
  308   HG21  THR  44          HG21      THR  44  46.741  -3.447  13.603
  309   HG22  THR  44          HG22      THR  44  46.781  -3.364  11.841
  310   HG23  THR  44          HG23      THR  44  45.248  -3.203  12.696
  311    H    GLY  45           HN       GLY  45  50.251  -0.801  13.449
  312    HA2  GLY  45           HA2      GLY  45  51.314   0.773  14.746
  313    HA3  GLY  45           HA1      GLY  45  50.237   1.955  14.010
  314    H    ASN  46           HN       ASN  46  48.563  -0.570  15.511
  315    HA   ASN  46           HA       ASN  46  48.230   0.986  18.006
  316    HB2  ASN  46           HB2      ASN  46  46.078   1.333  17.508
  317    HB3  ASN  46           HB1      ASN  46  46.281   0.483  15.976
  318   HD21  ASN  46          HD21      ASN  46  45.430  -1.646  15.814
  319   HD22  ASN  46          HD22      ASN  46  44.647  -2.436  17.095
  320    H    GLY  47           HN       GLY  47  49.102  -1.900  16.598
  321    HA2  GLY  47           HA2      GLY  47  48.104  -3.637  18.718
  322    HA3  GLY  47           HA1      GLY  47  49.053  -4.132  17.321
  323    H    LEU  48           HN       LEU  48  51.058  -2.022  17.749
  324    HA   LEU  48           HA       LEU  48  52.422  -3.144  20.127
  325    HB2  LEU  48           HB2      LEU  48  54.242  -2.000  18.191
  326    HB3  LEU  48           HB1      LEU  48  54.221  -3.622  18.878
  327    HG   LEU  48           HG       LEU  48  52.491  -2.691  16.564
  328   HD11  LEU  48          HD11      LEU  48  55.223  -3.668  16.713
  329   HD12  LEU  48          HD12      LEU  48  54.332  -3.056  15.319
  330   HD13  LEU  48          HD13      LEU  48  54.208  -4.757  15.767
  331   HD21  LEU  48          HD21      LEU  48  51.314  -4.585  16.908
  332   HD22  LEU  48          HD22      LEU  48  52.262  -4.899  18.362
  333   HD23  LEU  48          HD23      LEU  48  52.794  -5.536  16.806
  334    H    VAL  49           HN       VAL  49  50.695  -0.693  19.711
  335    HA   VAL  49           HA       VAL  49  52.644   1.272  20.759
  336    HB   VAL  49           HB       VAL  49  50.314   1.820  18.907
  337   HG11  VAL  49          HG11      VAL  49  51.651   4.137  19.008
  338   HG12  VAL  49          HG12      VAL  49  52.052   3.539  20.618
  339   HG13  VAL  49          HG13      VAL  49  50.365   3.758  20.154
  340   HG21  VAL  49          HG21      VAL  49  53.319   1.819  18.575
  341   HG22  VAL  49          HG22      VAL  49  52.263   2.722  17.487
  342   HG23  VAL  49          HG23      VAL  49  52.116   0.968  17.606
  343    H    LEU  50           HN       LEU  50  49.143   0.630  20.461
  344    HA   LEU  50           HA       LEU  50  48.719   1.880  23.083
  345    HB2  LEU  50           HB2      LEU  50  47.222   2.584  21.294
  346    HB3  LEU  50           HB1      LEU  50  46.761   0.909  20.987
  347    HG   LEU  50           HG       LEU  50  46.455   1.681  23.798
  348   HD11  LEU  50          HD11      LEU  50  45.895   3.852  22.800
  349   HD12  LEU  50          HD12      LEU  50  44.433   3.067  23.395
  350   HD13  LEU  50          HD13      LEU  50  44.796   3.067  21.669
  351   HD21  LEU  50          HD21      LEU  50  44.405   0.465  23.561
  352   HD22  LEU  50          HD22      LEU  50  45.588  -0.385  22.567
  353   HD23  LEU  50          HD23      LEU  50  44.403   0.679  21.810
  354    H    TRP  51           HN       TRP  51  47.943  -1.146  21.369
  355    HA   TRP  51           HA       TRP  51  46.700  -2.600  23.314
  356    HB2  TRP  51           HB2      TRP  51  46.897  -3.991  21.550
  357    HB3  TRP  51           HB1      TRP  51  48.392  -3.227  21.009
  358    HD1  TRP  51           HD1      TRP  51  47.083  -6.226  22.792
  359    HE1  TRP  51           HE1      TRP  51  49.040  -7.684  23.624
  360    HE3  TRP  51           HE3      TRP  51  50.975  -3.015  22.007
  361    HZ2  TRP  51           HZ2      TRP  51  51.880  -7.512  23.918
  362    HZ3  TRP  51           HZ3      TRP  51  53.293  -3.686  22.572
  363    HH2  TRP  51           HH2      TRP  51  53.749  -5.929  23.525
  364    H    THR  52           HN       THR  52  49.906  -1.384  23.401
  365    HA   THR  52           HA       THR  52  50.917  -3.269  25.341
  366    HB   THR  52           HB       THR  52  52.271  -1.865  23.639
  367    HG1  THR  52           HG1      THR  52  52.923  -3.062  25.706
  368   HG21  THR  52          HG21      THR  52  52.386   0.155  25.847
  369   HG22  THR  52          HG22      THR  52  51.080   0.259  24.667
  370   HG23  THR  52          HG23      THR  52  52.759   0.349  24.135
  371    H    VAL  53           HN       VAL  53  48.432  -1.523  25.795
  372    HA   VAL  53           HA       VAL  53  49.255  -0.480  28.441
  373    HB   VAL  53           HB       VAL  53  47.085   0.652  26.660
  374   HG11  VAL  53          HG11      VAL  53  46.615   1.023  29.002
  375   HG12  VAL  53          HG12      VAL  53  47.237   2.533  28.337
  376   HG13  VAL  53          HG13      VAL  53  48.284   1.500  29.312
  377   HG21  VAL  53          HG21      VAL  53  48.773   1.695  25.579
  378   HG22  VAL  53          HG22      VAL  53  49.967   1.054  26.709
  379   HG23  VAL  53          HG23      VAL  53  49.110   2.549  27.086
  380    H    PHE  54           HN       PHE  54  46.896  -2.189  26.511
  381    HA   PHE  54           HA       PHE  54  45.270  -2.729  28.909
  382    HB2  PHE  54           HB2      PHE  54  43.524  -2.561  27.518
  383    HB3  PHE  54           HB1      PHE  54  44.624  -2.246  26.177
  384    HD1  PHE  54           HD1      PHE  54  45.502  -4.120  24.800
  385    HD2  PHE  54           HD2      PHE  54  42.555  -4.742  27.862
  386    HE1  PHE  54           HE1      PHE  54  44.978  -6.347  23.843
  387    HE2  PHE  54           HE2      PHE  54  42.032  -6.969  26.907
  388    HZ   PHE  54           HZ       PHE  54  43.244  -7.772  24.898
  389    H    ARG  55           HN       ARG  55  47.794  -4.036  27.194
  390    HA   ARG  55           HA       ARG  55  46.970  -6.823  27.686
  391    HB2  ARG  55           HB2      ARG  55  47.877  -6.090  25.420
  392    HB3  ARG  55           HB1      ARG  55  49.439  -5.898  26.217
  393    HG2  ARG  55           HG2      ARG  55  49.647  -8.096  25.556
  394    HG3  ARG  55           HG1      ARG  55  48.848  -8.352  27.107
  395    HD2  ARG  55           HD2      ARG  55  46.655  -8.380  25.956
  396    HD3  ARG  55           HD1      ARG  55  47.473  -8.172  24.411
  397    HE   ARG  55           HE       ARG  55  48.641 -10.401  25.532
  398   HH11  ARG  55          HH21      ARG  55  45.438  -9.358  24.741
  399   HH12  ARG  55          HH22      ARG  55  44.848 -10.955  24.423
  400   HH21  ARG  55          HH11      ARG  55  47.874 -12.498  25.115
  401   HH22  ARG  55          HH12      ARG  55  46.227 -12.733  24.634
  402    H    LYS  56           HN       LYS  56  49.600  -4.521  28.325
  403    HA   LYS  56           HA       LYS  56  51.282  -6.185  29.805
  404    HB2  LYS  56           HB2      LYS  56  52.106  -4.091  30.858
  405    HB3  LYS  56           HB1      LYS  56  51.971  -3.957  29.105
  406    HG2  LYS  56           HG2      LYS  56  50.683  -2.137  29.423
  407    HG3  LYS  56           HG1      LYS  56  49.448  -3.208  30.086
  408    HD2  LYS  56           HD2      LYS  56  50.419  -2.972  32.328
  409    HD3  LYS  56           HD1      LYS  56  51.691  -1.935  31.681
  410    HE2  LYS  56           HE2      LYS  56  50.318  -0.127  31.536
  411    HE3  LYS  56           HE1      LYS  56  48.949  -1.092  30.985
  412    HZ1  LYS  56           HZ1      LYS  56  49.831  -1.452  33.746
  413    HZ2  LYS  56           HZ2      LYS  56  48.265  -1.507  33.089
  414    HZ3  LYS  56           HZ3      LYS  56  49.018  -0.010  33.373
  415    H    LYS  57           HN       LYS  57  48.284  -4.624  30.688
  416    HA   LYS  57           HA       LYS  57  48.470  -4.732  33.484
  417    HB2  LYS  57           HB2      LYS  57  45.947  -5.186  31.883
  418    HB3  LYS  57           HB1      LYS  57  46.086  -4.510  33.507
  419    HG2  LYS  57           HG2      LYS  57  47.749  -2.875  32.012
  420    HG3  LYS  57           HG1      LYS  57  46.408  -3.191  30.910
  421    HD2  LYS  57           HD2      LYS  57  44.844  -2.604  32.828
  422    HD3  LYS  57           HD1      LYS  57  46.265  -2.030  33.701
  423    HE2  LYS  57           HE2      LYS  57  46.767  -0.559  31.691
  424    HE3  LYS  57           HE1      LYS  57  45.170  -0.990  31.079
  425    HZ1  LYS  57           HZ1      LYS  57  45.792   0.989  32.913
  426    HZ2  LYS  57           HZ2      LYS  57  44.998  -0.227  33.794
  427    HZ3  LYS  57           HZ3      LYS  57  44.248   0.474  32.439
  428    H    GLY  58           HN       GLY  58  48.324  -7.251  31.205
  429    HA2  GLY  58           HA2      GLY  58  47.926  -9.204  33.376
  430    HA3  GLY  58           HA1      GLY  58  46.985  -9.359  31.896
  431    H    HIS  59           HN       HIS  59  47.845 -10.460  30.232
  432    HA   HIS  59           HA       HIS  59  49.389 -11.522  28.890
  433    HB2  HIS  59           HB2      HIS  59  50.756  -9.314  29.713
  434    HB3  HIS  59           HB1      HIS  59  51.773 -10.600  30.363
  435    HD2  HIS  59           HD2      HIS  59  49.933 -10.468  26.822
  436    HE1  HIS  59           HE1      HIS  59  54.031 -11.305  26.242
  437    HE2  HIS  59           HE2      HIS  59  51.794 -11.017  25.074
  438    H    HIS  60           HN       HIS  60  50.568 -11.368  32.257
  439    HA   HIS  60           HA       HIS  60  51.756 -13.926  32.273
  440    HB2  HIS  60           HB2      HIS  60  50.552 -12.666  34.725
  441    HB3  HIS  60           HB1      HIS  60  52.024 -13.628  34.584
  442    HD2  HIS  60           HD2      HIS  60  54.125 -12.170  33.015
  443    HE1  HIS  60           HE1      HIS  60  52.586  -8.408  34.157
  444    HE2  HIS  60           HE2      HIS  60  54.583  -9.603  33.139
  445    H    HIS  61           HN       HIS  61  48.462 -12.882  32.604
  446    HA   HIS  61           HA       HIS  61  46.500 -14.010  33.031
  447    HB2  HIS  61           HB2      HIS  61  47.190 -15.010  30.865
  448    HB3  HIS  61           HB1      HIS  61  48.032 -16.285  31.747
  449    HD2  HIS  61           HD2      HIS  61  44.366 -14.964  32.553
  450    HE1  HIS  61           HE1      HIS  61  44.190 -19.096  31.703
  451    HE2  HIS  61           HE2      HIS  61  42.837 -17.078  32.444
  452    H    HIS  62           HN       HIS  62  46.580 -14.009  35.300
  453    HA   HIS  62           HA       HIS  62  47.731 -16.387  36.596
  454    HB2  HIS  62           HB2      HIS  62  46.681 -13.795  37.757
  455    HB3  HIS  62           HB1      HIS  62  47.344 -15.128  38.703
  456    HD2  HIS  62           HD2      HIS  62  50.033 -15.797  36.964
  457    HE1  HIS  62           HE1      HIS  62  50.931 -11.691  37.362
  458    HE2  HIS  62           HE2      HIS  62  51.895 -13.973  36.803
  459    H    HIS  63           HN       HIS  63  45.885 -17.582  35.507
  460    HA   HIS  63           HA       HIS  63  43.332 -17.260  36.934
  461    HB2  HIS  63           HB2      HIS  63  42.975 -17.388  34.597
  462    HB3  HIS  63           HB1      HIS  63  44.126 -18.711  34.412
  463    HD2  HIS  63           HD2      HIS  63  42.953 -21.217  34.542
  464    HE1  HIS  63           HE1      HIS  63  39.275 -20.051  36.254
  465    HE2  HIS  63           HE2      HIS  63  40.579 -22.006  35.291
  466    H    HIS  64           HN       HIS  64  44.085 -18.146  38.932
  467    HA   HIS  64           HA       HIS  64  45.244 -20.732  39.146
  468    HB2  HIS  64           HB2      HIS  64  43.577 -19.567  41.343
  469    HB3  HIS  64           HB1      HIS  64  45.113 -20.430  41.439
  470    HD2  HIS  64           HD2      HIS  64  47.355 -18.777  41.439
  471    HE1  HIS  64           HE1      HIS  64  45.385 -15.173  40.464
  472    HE2  HIS  64           HE2      HIS  64  47.608 -16.195  41.145
  Start of MODEL   29
    1    H1   MET   1           HT1      MET   1  32.879 -17.193 -23.826
    2    H2   MET   1           HT2      MET   1  31.667 -16.047 -23.507
    3    H3   MET   1           HT3      MET   1  31.307 -17.706 -23.448
    4    HA   MET   1           HA       MET   1  31.519 -17.285 -21.231
    5    HB2  MET   1           HB2      MET   1  33.892 -18.368 -22.529
    6    HB3  MET   1           HB1      MET   1  34.288 -17.598 -20.993
    7    HG2  MET   1           HG2      MET   1  32.028 -19.587 -21.318
    8    HG3  MET   1           HG1      MET   1  33.655 -20.043 -20.812
    9    HE1  MET   1           HE1      MET   1  32.793 -21.133 -18.891
   10    HE2  MET   1           HE2      MET   1  32.703 -20.333 -17.323
   11    HE3  MET   1           HE3      MET   1  34.194 -20.257 -18.259
   12    H    GLU   2           HN       GLU   2  34.394 -15.721 -22.676
   13    HA   GLU   2           HA       GLU   2  35.284 -13.620 -22.379
   14    HB2  GLU   2           HB2      GLU   2  32.601 -13.164 -22.371
   15    HB3  GLU   2           HB1      GLU   2  33.043 -12.572 -20.769
   16    HG2  GLU   2           HG2      GLU   2  34.925 -11.281 -21.907
   17    HG3  GLU   2           HG1      GLU   2  34.151 -11.684 -23.438
   18    H    GLU   3           HN       GLU   3  36.923 -13.472 -20.999
   19    HA   GLU   3           HA       GLU   3  36.540 -14.227 -18.195
   20    HB2  GLU   3           HB2      GLU   3  39.177 -13.370 -19.319
   21    HB3  GLU   3           HB1      GLU   3  38.824 -14.592 -18.098
   22    HG2  GLU   3           HG2      GLU   3  39.341 -15.926 -19.937
   23    HG3  GLU   3           HG1      GLU   3  37.589 -15.804 -20.080
   24    H    GLY   4           HN       GLY   4  38.333 -11.622 -19.859
   25    HA2  GLY   4           HA2      GLY   4  37.063  -9.579 -18.254
   26    HA3  GLY   4           HA1      GLY   4  38.744  -9.876 -17.822
   27    H    GLY   5           HN       GLY   5  40.376  -9.604 -19.487
   28    HA2  GLY   5           HA2      GLY   5  40.476  -8.874 -21.985
   29    HA3  GLY   5           HA1      GLY   5  39.640  -7.456 -21.360
   30    H    ASP   6           HN       ASP   6  40.871  -6.945 -19.008
   31    HA   ASP   6           HA       ASP   6  43.591  -6.230 -19.878
   32    HB2  ASP   6           HB2      ASP   6  43.405  -4.689 -17.812
   33    HB3  ASP   6           HB1      ASP   6  42.448  -4.281 -19.235
   34    H    PHE   7           HN       PHE   7  42.282  -6.629 -16.608
   35    HA   PHE   7           HA       PHE   7  42.980  -7.896 -14.823
   36    HB2  PHE   7           HB2      PHE   7  42.756  -9.717 -16.675
   37    HB3  PHE   7           HB1      PHE   7  44.519  -9.680 -16.685
   38    HD1  PHE   7           HD2      PHE   7  41.598  -9.980 -14.363
   39    HD2  PHE   7           HD1      PHE   7  45.735 -10.885 -15.079
   40    HE1  PHE   7           HE2      PHE   7  41.642 -11.388 -12.322
   41    HE2  PHE   7           HE1      PHE   7  45.780 -12.293 -13.038
   42    HZ   PHE   7           HZ       PHE   7  43.733 -12.545 -11.659
   43    H    ASP   8           HN       ASP   8  44.354  -5.699 -14.956
   44    HA   ASP   8           HA       ASP   8  46.345  -4.648 -14.501
   45    HB2  ASP   8           HB2      ASP   8  46.092  -6.525 -12.686
   46    HB3  ASP   8           HB1      ASP   8  47.444  -7.264 -13.543
   47    H    ASN   9           HN       ASN   9  46.126  -5.417 -17.130
   48    HA   ASN   9           HA       ASN   9  48.937  -6.014 -17.786
   49    HB2  ASN   9           HB2      ASN   9  46.572  -7.182 -19.269
   50    HB3  ASN   9           HB1      ASN   9  48.278  -7.478 -19.598
   51   HD21  ASN   9          HD21      ASN   9  46.242  -9.505 -18.830
   52   HD22  ASN   9          HD22      ASN   9  46.794 -10.195 -17.381
   53    H    TYR  10           HN       TYR  10  49.619  -4.147 -18.639
   54    HA   TYR  10           HA       TYR  10  49.655  -2.197 -19.866
   55    HB2  TYR  10           HB2      TYR  10  49.658  -4.187 -21.564
   56    HB3  TYR  10           HB1      TYR  10  48.033  -3.619 -21.948
   57    HD1  TYR  10           HD2      TYR  10  51.605  -2.597 -21.763
   58    HD2  TYR  10           HD1      TYR  10  47.677  -1.622 -23.203
   59    HE1  TYR  10           HE2      TYR  10  52.565  -0.778 -23.150
   60    HE2  TYR  10           HE1      TYR  10  48.637   0.197 -24.590
   61    HH   TYR  10           HH       TYR  10  52.120   0.941 -24.488
   62    H    TYR  11           HN       TYR  11  47.080  -3.010 -18.279
   63    HA   TYR  11           HA       TYR  11  45.602  -0.625 -19.033
   64    HB2  TYR  11           HB2      TYR  11  44.598  -3.389 -19.548
   65    HB3  TYR  11           HB1      TYR  11  43.452  -2.174 -18.982
   66    HD1  TYR  11           HD2      TYR  11  43.439   0.107 -20.221
   67    HD2  TYR  11           HD1      TYR  11  45.203  -3.469 -21.818
   68    HE1  TYR  11           HE2      TYR  11  43.328   1.072 -22.503
   69    HE2  TYR  11           HE1      TYR  11  45.093  -2.504 -24.101
   70    HH   TYR  11           HH       TYR  11  44.787  -0.572 -25.265
   71    H    GLY  12           HN       GLY  12  45.265   0.353 -17.152
   72    HA2  GLY  12           HA2      GLY  12  44.025   0.450 -15.083
   73    HA3  GLY  12           HA1      GLY  12  44.366  -1.261 -14.848
   74    H    ALA  13           HN       ALA  13  47.183  -0.921 -15.702
   75    HA   ALA  13           HA       ALA  13  48.396   0.891 -13.807
   76    HB1  ALA  13           HB1      ALA  13  49.625  -1.325 -12.867
   77    HB2  ALA  13           HB2      ALA  13  48.015  -1.977 -13.169
   78    HB3  ALA  13           HB3      ALA  13  48.219  -0.597 -12.091
   79    H    ASP  14           HN       ASP  14  48.827  -1.968 -15.870
   80    HA   ASP  14           HA       ASP  14  50.313  -2.296 -17.614
   81    HB2  ASP  14           HB2      ASP  14  50.226   0.379 -17.574
   82    HB3  ASP  14           HB1      ASP  14  51.883   0.158 -17.013
   83    H    ASN  15           HN       ASN  15  50.923  -2.099 -14.393
   84    HA   ASN  15           HA       ASN  15  52.540  -2.974 -13.018
   85    HB2  ASN  15           HB2      ASN  15  53.960  -4.301 -15.264
   86    HB3  ASN  15           HB1      ASN  15  53.468  -4.949 -13.700
   87   HD21  ASN  15          HD21      ASN  15  52.787  -5.202 -16.954
   88   HD22  ASN  15          HD22      ASN  15  51.175  -5.725 -16.854
   89    H    GLN  16           HN       GLN  16  54.204  -1.906 -12.171
   90    HA   GLN  16           HA       GLN  16  55.928  -0.334 -13.961
   91    HB2  GLN  16           HB2      GLN  16  55.790  -0.168 -10.948
   92    HB3  GLN  16           HB1      GLN  16  56.441   1.026 -12.072
   93    HG2  GLN  16           HG2      GLN  16  54.328   1.908 -11.580
   94    HG3  GLN  16           HG1      GLN  16  54.031   1.029 -13.079
   95   HE21  GLN  16          HE21      GLN  16  54.052   0.331  -9.528
   96   HE22  GLN  16          HE22      GLN  16  52.664  -0.646  -9.574
   97    H    SER  17           HN       SER  17  56.008  -2.843 -11.496
   98    HA   SER  17           HA       SER  17  58.575  -3.761 -12.428
   99    HB2  SER  17           HB2      SER  17  59.450  -2.056 -11.000
  100    HB3  SER  17           HB1      SER  17  58.315  -2.459  -9.714
  101    HG   SER  17           HG       SER  17  59.557  -4.064  -9.134
  102    H    GLU  18           HN       GLU  18  55.865  -4.785 -12.115
  103    HA   GLU  18           HA       GLU  18  55.640  -6.494  -9.876
  104    HB2  GLU  18           HB2      GLU  18  53.804  -5.814 -11.499
  105    HB3  GLU  18           HB1      GLU  18  54.467  -7.014 -12.608
  106    HG2  GLU  18           HG2      GLU  18  52.780  -8.176 -11.423
  107    HG3  GLU  18           HG1      GLU  18  54.284  -8.671 -10.652
  108    H    CYS  19           HN       CYS  19  56.807  -7.083 -13.189
  109    HA   CYS  19           HA       CYS  19  58.239  -8.674 -14.028
  110    HB2  CYS  19           HB2      CYS  19  59.473  -7.979 -11.828
  111    HB3  CYS  19           HB1      CYS  19  58.931  -9.553 -11.245
  112    HG   CYS  19           HG       CYS  19  60.339  -9.649 -13.976
  113    H    GLU  20           HN       GLU  20  55.592  -9.361 -13.886
  114    HA   GLU  20           HA       GLU  20  55.159 -11.864 -12.564
  115    HB2  GLU  20           HB2      GLU  20  53.428 -10.101 -13.391
  116    HB3  GLU  20           HB1      GLU  20  53.575 -10.932 -14.941
  117    HG2  GLU  20           HG2      GLU  20  51.922 -12.241 -14.054
  118    HG3  GLU  20           HG1      GLU  20  53.295 -13.070 -13.324
  119    H    TYR  21           HN       TYR  21  57.401 -11.395 -14.670
  120    HA   TYR  21           HA       TYR  21  56.745 -13.628 -16.480
  121    HB2  TYR  21           HB2      TYR  21  57.815 -12.443 -18.050
  122    HB3  TYR  21           HB1      TYR  21  58.057 -11.149 -16.877
  123    HD1  TYR  21           HD2      TYR  21  60.146 -10.952 -15.620
  124    HD2  TYR  21           HD1      TYR  21  59.562 -14.095 -18.489
  125    HE1  TYR  21           HE2      TYR  21  62.578 -11.437 -15.583
  126    HE2  TYR  21           HE1      TYR  21  61.994 -14.580 -18.452
  127    HH   TYR  21           HH       TYR  21  63.958 -13.965 -16.312
  128    H    THR  22           HN       THR  22  58.392 -12.950 -13.631
  129    HA   THR  22           HA       THR  22  59.704 -15.547 -13.698
  130    HB   THR  22           HB       THR  22  61.218 -12.950 -13.461
  131    HG1  THR  22           HG1      THR  22  62.489 -14.748 -14.836
  132   HG21  THR  22          HG21      THR  22  62.044 -14.152 -11.610
  133   HG22  THR  22          HG22      THR  22  63.160 -14.571 -12.909
  134   HG23  THR  22          HG23      THR  22  61.893 -15.702 -12.438
  135    H    ASP  23           HN       ASP  23  58.915 -12.596 -11.958
  136    HA   ASP  23           HA       ASP  23  59.344 -13.863  -9.372
  137    HB2  ASP  23           HB2      ASP  23  59.767 -11.380 -10.029
  138    HB3  ASP  23           HB1      ASP  23  58.033 -11.197  -9.779
  139    H    TRP  24           HN       TRP  24  57.241 -14.760 -11.350
  140    HA   TRP  24           HA       TRP  24  54.753 -14.164  -9.938
  141    HB2  TRP  24           HB2      TRP  24  53.639 -15.105 -11.766
  142    HB3  TRP  24           HB1      TRP  24  55.065 -14.385 -12.515
  143    HD1  TRP  24           HD1      TRP  24  57.045 -16.029 -13.244
  144    HE1  TRP  24           HE1      TRP  24  57.050 -18.549 -13.795
  145    HE3  TRP  24           HE3      TRP  24  52.566 -17.388 -11.202
  146    HZ2  TRP  24           HZ2      TRP  24  55.375 -20.836 -13.419
  147    HZ3  TRP  24           HZ3      TRP  24  51.795 -19.741 -11.312
  148    HH2  TRP  24           HH2      TRP  24  53.193 -21.465 -12.418
  149    H    LYS  25           HN       LYS  25  57.268 -16.220  -9.461
  150    HA   LYS  25           HA       LYS  25  55.540 -18.155  -8.065
  151    HB2  LYS  25           HB2      LYS  25  57.395 -19.875  -8.746
  152    HB3  LYS  25           HB1      LYS  25  56.103 -19.492  -9.881
  153    HG2  LYS  25           HG2      LYS  25  58.315 -19.448 -10.987
  154    HG3  LYS  25           HG1      LYS  25  57.559 -17.856 -11.009
  155    HD2  LYS  25           HD2      LYS  25  58.980 -17.028  -9.314
  156    HD3  LYS  25           HD1      LYS  25  59.448 -18.648  -8.795
  157    HE2  LYS  25           HE2      LYS  25  60.918 -18.943 -10.570
  158    HE3  LYS  25           HE1      LYS  25  60.064 -17.796 -11.601
  159    HZ1  LYS  25           HZ1      LYS  25  62.323 -17.250 -10.253
  160    HZ2  LYS  25           HZ2      LYS  25  61.146 -16.653  -9.183
  161    HZ3  LYS  25           HZ3      LYS  25  61.213 -16.081 -10.782
  162    H    SER  26           HN       SER  26  57.401 -15.784  -7.446
  163    HA   SER  26           HA       SER  26  58.845 -17.151  -5.269
  164    HB2  SER  26           HB2      SER  26  60.558 -16.702  -6.890
  165    HB3  SER  26           HB1      SER  26  59.961 -15.068  -7.154
  166    HG   SER  26           HG       SER  26  61.092 -14.460  -5.500
  167    H    SER  27           HN       SER  27  59.542 -13.858  -5.699
  168    HA   SER  27           HA       SER  27  58.193 -13.150  -3.261
  169    HB2  SER  27           HB2      SER  27  60.372 -12.164  -3.924
  170    HB3  SER  27           HB1      SER  27  59.578 -11.371  -5.281
  171    HG   SER  27           HG       SER  27  58.439 -10.124  -3.888
  172    H    GLY  28           HN       GLY  28  56.491 -14.051  -5.468
  173    HA2  GLY  28           HA2      GLY  28  54.611 -11.811  -5.435
  174    HA3  GLY  28           HA1      GLY  28  55.114 -12.400  -7.017
  175    H    ALA  29           HN       ALA  29  54.751 -14.470  -4.209
  176    HA   ALA  29           HA       ALA  29  52.174 -15.476  -5.178
  177    HB1  ALA  29           HB1      ALA  29  54.678 -16.799  -5.649
  178    HB2  ALA  29           HB2      ALA  29  53.056 -17.311  -6.112
  179    HB3  ALA  29           HB3      ALA  29  53.709 -17.767  -4.538
  180    H    LEU  30           HN       LEU  30  54.276 -14.652  -2.701
  181    HA   LEU  30           HA       LEU  30  52.504 -15.912  -0.701
  182    HB2  LEU  30           HB2      LEU  30  55.485 -15.554  -0.347
  183    HB3  LEU  30           HB1      LEU  30  54.371 -16.411   0.718
  184    HG   LEU  30           HG       LEU  30  53.891 -17.715  -1.610
  185   HD11  LEU  30          HD11      LEU  30  56.874 -17.302  -1.676
  186   HD12  LEU  30          HD12      LEU  30  55.801 -16.229  -2.574
  187   HD13  LEU  30          HD13      LEU  30  55.823 -17.956  -2.931
  188   HD21  LEU  30          HD21      LEU  30  55.918 -18.184   0.573
  189   HD22  LEU  30          HD22      LEU  30  55.709 -19.356  -0.728
  190   HD23  LEU  30          HD23      LEU  30  54.356 -18.967   0.334
  191    H    ILE  31           HN       ILE  31  54.104 -13.149  -1.901
  192    HA   ILE  31           HA       ILE  31  54.045 -11.633   0.549
  193    HB   ILE  31           HB       ILE  31  54.794 -11.089  -2.287
  194   HG12  ILE  31          HG12      ILE  31  56.820 -10.274  -1.199
  195   HG13  ILE  31          HG11      ILE  31  56.054 -10.404   0.385
  196   HG21  ILE  31          HG21      ILE  31  55.078  -8.639  -1.556
  197   HG22  ILE  31          HG22      ILE  31  53.927  -9.006  -0.273
  198   HG23  ILE  31          HG23      ILE  31  53.444  -9.156  -1.964
  199   HD11  ILE  31          HD11      ILE  31  56.131 -12.728   0.384
  200   HD12  ILE  31          HD12      ILE  31  57.612 -12.348  -0.495
  201   HD13  ILE  31          HD13      ILE  31  56.161 -12.828  -1.377
  202    HA   PRO  32           HA       PRO  32  50.117  -9.805  -1.366
  203    HB2  PRO  32           HB2      PRO  32  48.889 -11.069  -3.424
  204    HB3  PRO  32           HB1      PRO  32  50.239  -9.945  -3.668
  205    HG2  PRO  32           HG2      PRO  32  50.179 -12.881  -3.864
  206    HG3  PRO  32           HG1      PRO  32  51.248 -11.714  -4.653
  207    HD2  PRO  32           HD2      PRO  32  51.824 -13.298  -2.345
  208    HD3  PRO  32           HD1      PRO  32  52.845 -12.040  -3.069
  209    H    ALA  33           HN       ALA  33  50.558 -12.375   0.266
  210    HA   ALA  33           HA       ALA  33  47.698 -12.968   0.656
  211    HB1  ALA  33           HB1      ALA  33  49.729 -15.165   0.879
  212    HB2  ALA  33           HB2      ALA  33  49.040 -14.759  -0.692
  213    HB3  ALA  33           HB3      ALA  33  47.988 -15.281   0.624
  214    H    ILE  34           HN       ILE  34  50.228 -11.587   1.977
  215    HA   ILE  34           HA       ILE  34  49.472 -12.405   4.693
  216    HB   ILE  34           HB       ILE  34  52.369 -12.119   3.886
  217   HG12  ILE  34          HG12      ILE  34  50.681 -14.620   4.215
  218   HG13  ILE  34          HG11      ILE  34  51.446 -14.064   2.727
  219   HG21  ILE  34          HG21      ILE  34  52.816 -13.010   6.067
  220   HG22  ILE  34          HG22      ILE  34  51.121 -13.432   6.310
  221   HG23  ILE  34          HG23      ILE  34  51.613 -11.739   6.289
  222   HD11  ILE  34          HD11      ILE  34  53.653 -14.144   4.118
  223   HD12  ILE  34          HD12      ILE  34  52.977 -15.657   3.516
  224   HD13  ILE  34          HD13      ILE  34  52.736 -15.192   5.200
  225    H    TYR  35           HN       TYR  35  51.364 -10.176   2.671
  226    HA   TYR  35           HA       TYR  35  51.573  -8.138   4.655
  227    HB2  TYR  35           HB2      TYR  35  52.452  -8.554   1.957
  228    HB3  TYR  35           HB1      TYR  35  51.694  -6.965   2.078
  229    HD1  TYR  35           HD1      TYR  35  54.307  -9.169   3.540
  230    HD2  TYR  35           HD2      TYR  35  52.723  -5.184   3.294
  231    HE1  TYR  35           HE1      TYR  35  56.316  -8.298   4.705
  232    HE2  TYR  35           HE2      TYR  35  54.731  -4.312   4.458
  233    HH   TYR  35           HH       TYR  35  57.395  -6.487   5.403
  234    H    MET  36           HN       MET  36  48.867  -9.335   3.451
  235    HA   MET  36           HA       MET  36  47.519  -6.741   3.044
  236    HB2  MET  36           HB2      MET  36  46.618  -9.564   2.418
  237    HB3  MET  36           HB1      MET  36  45.650  -8.113   2.150
  238    HG2  MET  36           HG2      MET  36  48.421  -8.404   0.985
  239    HG3  MET  36           HG1      MET  36  46.992  -9.002   0.140
  240    HE1  MET  36           HE1      MET  36  48.396  -5.633  -1.423
  241    HE2  MET  36           HE2      MET  36  48.870  -7.292  -1.073
  242    HE3  MET  36           HE3      MET  36  49.312  -6.004   0.044
  243    H    LEU  37           HN       LEU  37  46.964  -9.880   4.660
  244    HA   LEU  37           HA       LEU  37  44.990  -8.714   6.430
  245    HB2  LEU  37           HB2      LEU  37  45.234 -11.085   7.500
  246    HB3  LEU  37           HB1      LEU  37  44.470 -10.927   5.917
  247    HG   LEU  37           HG       LEU  37  47.424 -11.234   5.914
  248   HD11  LEU  37          HD11      LEU  37  46.992 -12.879   7.585
  249   HD12  LEU  37          HD12      LEU  37  47.075 -13.768   6.064
  250   HD13  LEU  37          HD13      LEU  37  45.509 -13.405   6.788
  251   HD21  LEU  37          HD21      LEU  37  47.006 -12.310   3.865
  252   HD22  LEU  37          HD22      LEU  37  45.717 -11.109   3.938
  253   HD23  LEU  37          HD23      LEU  37  45.378 -12.792   4.343
  254    H    VAL  38           HN       VAL  38  47.988  -7.984   6.405
  255    HA   VAL  38           HA       VAL  38  48.309  -8.116   9.334
  256    HB   VAL  38           HB       VAL  38  50.501  -8.611   7.304
  257   HG11  VAL  38          HG11      VAL  38  51.859  -7.889   8.955
  258   HG12  VAL  38          HG12      VAL  38  51.343  -9.295   9.887
  259   HG13  VAL  38          HG13      VAL  38  50.511  -7.752  10.084
  260   HG21  VAL  38          HG21      VAL  38  50.563 -10.863   8.366
  261   HG22  VAL  38          HG22      VAL  38  49.017 -10.547   7.578
  262   HG23  VAL  38          HG23      VAL  38  49.155 -10.426   9.332
  263    H    PHE  39           HN       PHE  39  49.991  -6.755   6.489
  264    HA   PHE  39           HA       PHE  39  51.011  -4.473   7.627
  265    HB2  PHE  39           HB2      PHE  39  51.220  -5.355   5.203
  266    HB3  PHE  39           HB1      PHE  39  49.778  -4.391   4.882
  267    HD1  PHE  39           HD2      PHE  39  53.210  -4.163   6.358
  268    HD2  PHE  39           HD1      PHE  39  49.957  -2.083   4.476
  269    HE1  PHE  39           HE2      PHE  39  54.606  -2.121   6.203
  270    HE2  PHE  39           HE1      PHE  39  51.354  -0.040   4.320
  271    HZ   PHE  39           HZ       PHE  39  53.679  -0.058   5.184
  272    H    LEU  40           HN       LEU  40  47.719  -5.259   7.137
  273    HA   LEU  40           HA       LEU  40  46.944  -2.554   8.020
  274    HB2  LEU  40           HB2      LEU  40  45.812  -4.125   5.710
  275    HB3  LEU  40           HB1      LEU  40  44.876  -2.872   6.528
  276    HG   LEU  40           HG       LEU  40  47.640  -2.103   5.800
  277   HD11  LEU  40          HD11      LEU  40  45.509  -2.690   3.729
  278   HD12  LEU  40          HD12      LEU  40  47.148  -3.339   3.794
  279   HD13  LEU  40          HD13      LEU  40  46.888  -1.633   3.424
  280   HD21  LEU  40          HD21      LEU  40  45.809  -0.639   6.802
  281   HD22  LEU  40          HD22      LEU  40  44.986  -0.753   5.246
  282   HD23  LEU  40          HD23      LEU  40  46.577   0.001   5.349
  283    H    LEU  41           HN       LEU  41  47.282  -4.656   9.752
  284    HA   LEU  41           HA       LEU  41  44.761  -4.806  11.020
  285    HB2  LEU  41           HB2      LEU  41  44.125  -6.404   9.346
  286    HB3  LEU  41           HB1      LEU  41  45.653  -7.266   9.502
  287    HG   LEU  41           HG       LEU  41  45.079  -8.054  11.705
  288   HD11  LEU  41          HD11      LEU  41  42.827  -6.058  11.460
  289   HD12  LEU  41          HD12      LEU  41  44.021  -6.211  12.748
  290   HD13  LEU  41          HD13      LEU  41  42.732  -7.405  12.594
  291   HD21  LEU  41          HD21      LEU  41  42.487  -8.272  10.176
  292   HD22  LEU  41          HD22      LEU  41  43.282  -9.490  11.173
  293   HD23  LEU  41          HD23      LEU  41  43.953  -9.065   9.598
  294    H    GLY  42           HN       GLY  42  47.548  -7.008  10.621
  295    HA2  GLY  42           HA2      GLY  42  47.813  -7.741  13.297
  296    HA3  GLY  42           HA1      GLY  42  49.126  -7.752  12.122
  297    H    THR  43           HN       THR  43  48.282  -4.692  11.923
  298    HA   THR  43           HA       THR  43  49.524  -3.732  14.396
  299    HB   THR  43           HB       THR  43  51.490  -3.977  13.102
  300    HG1  THR  43           HG1      THR  43  51.470  -1.947  13.937
  301   HG21  THR  43          HG21      THR  43  49.641  -3.436  10.889
  302   HG22  THR  43          HG22      THR  43  51.131  -4.380  10.904
  303   HG23  THR  43          HG23      THR  43  51.199  -2.628  10.715
  304    H    THR  44           HN       THR  44  49.633  -1.701  11.637
  305    HA   THR  44           HA       THR  44  48.444   0.161  11.012
  306    HB   THR  44           HB       THR  44  46.129   0.007  10.928
  307    HG1  THR  44           HG1      THR  44  46.456  -0.718  13.495
  308   HG21  THR  44          HG21      THR  44  46.473  -2.888  11.535
  309   HG22  THR  44          HG22      THR  44  47.497  -2.204  10.273
  310   HG23  THR  44          HG23      THR  44  45.742  -2.112  10.130
  311    H    GLY  45           HN       GLY  45  49.120  -0.675  14.136
  312    HA2  GLY  45           HA2      GLY  45  49.743   0.917  15.786
  313    HA3  GLY  45           HA1      GLY  45  48.624   2.069  15.060
  314    H    ASN  46           HN       ASN  46  47.138  -0.909  15.207
  315    HA   ASN  46           HA       ASN  46  45.597  -0.080  17.564
  316    HB2  ASN  46           HB2      ASN  46  43.841  -1.401  16.758
  317    HB3  ASN  46           HB1      ASN  46  44.567  -0.768  15.281
  318   HD21  ASN  46          HD21      ASN  46  45.322  -2.290  13.772
  319   HD22  ASN  46          HD22      ASN  46  45.448  -3.954  14.079
  320    H    GLY  47           HN       GLY  47  47.421  -2.840  16.288
  321    HA2  GLY  47           HA2      GLY  47  47.038  -4.466  18.628
  322    HA3  GLY  47           HA1      GLY  47  48.180  -4.771  17.317
  323    H    LEU  48           HN       LEU  48  49.011  -1.836  17.778
  324    HA   LEU  48           HA       LEU  48  50.924  -2.420  19.944
  325    HB2  LEU  48           HB2      LEU  48  51.570  -0.106  18.315
  326    HB3  LEU  48           HB1      LEU  48  52.540  -1.535  18.661
  327    HG   LEU  48           HG       LEU  48  50.354  -1.353  16.563
  328   HD11  LEU  48          HD11      LEU  48  51.961  -0.632  15.166
  329   HD12  LEU  48          HD12      LEU  48  52.953  -2.036  15.561
  330   HD13  LEU  48          HD13      LEU  48  53.089  -0.562  16.520
  331   HD21  LEU  48          HD21      LEU  48  51.610  -3.594  17.894
  332   HD22  LEU  48          HD22      LEU  48  52.038  -3.595  16.184
  333   HD23  LEU  48          HD23      LEU  48  50.343  -3.608  16.668
  334    H    VAL  49           HN       VAL  49  51.811   0.075  20.524
  335    HA   VAL  49           HA       VAL  49  51.366   1.934  21.791
  336    HB   VAL  49           HB       VAL  49  48.587   2.112  20.694
  337   HG11  VAL  49          HG11      VAL  49  49.980   3.780  22.225
  338   HG12  VAL  49          HG12      VAL  49  48.917   4.388  20.956
  339   HG13  VAL  49          HG13      VAL  49  50.654   4.275  20.672
  340   HG21  VAL  49          HG21      VAL  49  49.914   3.298  18.702
  341   HG22  VAL  49          HG22      VAL  49  49.508   1.584  18.639
  342   HG23  VAL  49          HG23      VAL  49  51.129   2.090  19.117
  343    H    LEU  50           HN       LEU  50  48.123   0.480  21.546
  344    HA   LEU  50           HA       LEU  50  47.535   0.847  24.298
  345    HB2  LEU  50           HB2      LEU  50  45.731   0.717  22.720
  346    HB3  LEU  50           HB1      LEU  50  46.269  -0.860  22.147
  347    HG   LEU  50           HG       LEU  50  45.791  -0.751  25.050
  348   HD11  LEU  50          HD11      LEU  50  43.990   0.739  24.415
  349   HD12  LEU  50          HD12      LEU  50  43.297  -0.851  24.736
  350   HD13  LEU  50          HD13      LEU  50  43.537  -0.313  23.073
  351   HD21  LEU  50          HD21      LEU  50  44.552  -2.550  22.961
  352   HD22  LEU  50          HD22      LEU  50  44.885  -2.915  24.654
  353   HD23  LEU  50          HD23      LEU  50  46.215  -2.772  23.505
  354    H    TRP  51           HN       TRP  51  48.765  -1.868  22.421
  355    HA   TRP  51           HA       TRP  51  48.511  -4.014  24.059
  356    HB2  TRP  51           HB2      TRP  51  50.112  -3.391  21.892
  357    HB3  TRP  51           HB1      TRP  51  51.277  -3.773  23.158
  358    HD1  TRP  51           HD1      TRP  51  51.928  -6.213  22.986
  359    HE1  TRP  51           HE1      TRP  51  50.690  -8.435  22.564
  360    HE3  TRP  51           HE3      TRP  51  47.202  -4.453  22.172
  361    HZ2  TRP  51           HZ2      TRP  51  48.047  -9.347  21.964
  362    HZ3  TRP  51           HZ3      TRP  51  45.347  -6.018  21.678
  363    HH2  TRP  51           HH2      TRP  51  45.762  -8.460  21.572
  364    H    THR  52           HN       THR  52  50.589  -1.236  24.602
  365    HA   THR  52           HA       THR  52  52.086  -2.387  26.743
  366    HB   THR  52           HB       THR  52  52.636  -0.302  25.313
  367    HG1  THR  52           HG1      THR  52  53.014   0.327  27.974
  368   HG21  THR  52          HG21      THR  52  51.722   1.746  25.906
  369   HG22  THR  52          HG22      THR  52  51.291   1.201  27.526
  370   HG23  THR  52          HG23      THR  52  50.329   0.690  26.139
  371    H    VAL  53           HN       VAL  53  48.947  -2.143  26.658
  372    HA   VAL  53           HA       VAL  53  48.694  -1.322  29.490
  373    HB   VAL  53           HB       VAL  53  46.665  -0.916  27.278
  374   HG11  VAL  53          HG11      VAL  53  46.507  -0.907  30.206
  375   HG12  VAL  53          HG12      VAL  53  45.210  -0.931  29.013
  376   HG13  VAL  53          HG13      VAL  53  45.946   0.601  29.485
  377   HG21  VAL  53          HG21      VAL  53  47.783   1.004  26.895
  378   HG22  VAL  53          HG22      VAL  53  48.889   0.678  28.230
  379   HG23  VAL  53          HG23      VAL  53  47.365   1.511  28.532
  380    H    PHE  54           HN       PHE  54  48.104  -3.636  27.025
  381    HA   PHE  54           HA       PHE  54  46.374  -5.219  28.825
  382    HB2  PHE  54           HB2      PHE  54  46.361  -4.734  25.956
  383    HB3  PHE  54           HB1      PHE  54  46.385  -6.457  26.332
  384    HD1  PHE  54           HD2      PHE  54  44.661  -3.270  27.280
  385    HD2  PHE  54           HD1      PHE  54  44.407  -7.547  26.969
  386    HE1  PHE  54           HE2      PHE  54  42.259  -3.171  27.886
  387    HE2  PHE  54           HE1      PHE  54  42.004  -7.448  27.576
  388    HZ   PHE  54           HZ       PHE  54  40.930  -5.260  28.034
  389    H    ARG  55           HN       ARG  55  49.527  -4.894  27.920
  390    HA   ARG  55           HA       ARG  55  50.086  -7.786  27.976
  391    HB2  ARG  55           HB2      ARG  55  51.043  -6.122  26.193
  392    HB3  ARG  55           HB1      ARG  55  52.172  -5.692  27.472
  393    HG2  ARG  55           HG2      ARG  55  53.363  -7.437  26.581
  394    HG3  ARG  55           HG1      ARG  55  52.334  -8.368  27.667
  395    HD2  ARG  55           HD2      ARG  55  51.703  -7.823  24.751
  396    HD3  ARG  55           HD1      ARG  55  52.410  -9.305  25.360
  397    HE   ARG  55           HE       ARG  55  50.356  -9.844  26.407
  398   HH11  ARG  55          HH21      ARG  55  50.245  -6.833  24.696
  399   HH12  ARG  55          HH22      ARG  55  48.521  -6.782  24.648
  400   HH21  ARG  55          HH11      ARG  55  48.101  -9.772  26.343
  401   HH22  ARG  55          HH12      ARG  55  47.305  -8.436  25.581
  402    H    LYS  56           HN       LYS  56  51.849  -4.916  29.166
  403    HA   LYS  56           HA       LYS  56  53.065  -6.296  31.310
  404    HB2  LYS  56           HB2      LYS  56  52.541  -3.333  30.973
  405    HB3  LYS  56           HB1      LYS  56  53.634  -4.041  32.161
  406    HG2  LYS  56           HG2      LYS  56  55.255  -3.980  30.597
  407    HG3  LYS  56           HG1      LYS  56  54.356  -5.203  29.699
  408    HD2  LYS  56           HD2      LYS  56  54.717  -3.327  28.220
  409    HD3  LYS  56           HD1      LYS  56  53.011  -3.343  28.664
  410    HE2  LYS  56           HE2      LYS  56  53.234  -1.230  29.402
  411    HE3  LYS  56           HE1      LYS  56  54.316  -1.830  30.659
  412    HZ1  LYS  56           HZ1      LYS  56  56.177  -1.559  29.200
  413    HZ2  LYS  56           HZ2      LYS  56  55.318  -0.094  29.250
  414    HZ3  LYS  56           HZ3      LYS  56  55.172  -1.122  27.906
  415    H    LYS  57           HN       LYS  57  50.247  -4.116  31.236
  416    HA   LYS  57           HA       LYS  57  49.668  -4.594  34.034
  417    HB2  LYS  57           HB2      LYS  57  47.782  -3.305  32.077
  418    HB3  LYS  57           HB1      LYS  57  47.971  -2.992  33.802
  419    HG2  LYS  57           HG2      LYS  57  49.929  -2.280  31.601
  420    HG3  LYS  57           HG1      LYS  57  48.994  -1.159  32.591
  421    HD2  LYS  57           HD2      LYS  57  50.165  -2.235  34.614
  422    HD3  LYS  57           HD1      LYS  57  51.282  -2.936  33.442
  423    HE2  LYS  57           HE2      LYS  57  51.582  -0.549  32.543
  424    HE3  LYS  57           HE1      LYS  57  50.778  -0.013  34.018
  425    HZ1  LYS  57           HZ1      LYS  57  53.274  -1.609  33.829
  426    HZ2  LYS  57           HZ2      LYS  57  52.459  -1.279  35.283
  427    HZ3  LYS  57           HZ3      LYS  57  53.128  -0.010  34.373
  428    H    GLY  58           HN       GLY  58  49.071  -6.214  31.135
  429    HA2  GLY  58           HA2      GLY  58  46.631  -7.508  32.178
  430    HA3  GLY  58           HA1      GLY  58  47.163  -7.538  30.500
  431    H    HIS  59           HN       HIS  59  48.737  -9.007  29.846
  432    HA   HIS  59           HA       HIS  59  49.917 -10.978  29.869
  433    HB2  HIS  59           HB2      HIS  59  50.876  -9.531  31.988
  434    HB3  HIS  59           HB1      HIS  59  50.372 -11.026  32.775
  435    HD2  HIS  59           HD2      HIS  59  52.369 -10.384  29.367
  436    HE1  HIS  59           HE1      HIS  59  54.236 -13.488  31.536
  437    HE2  HIS  59           HE2      HIS  59  54.326 -12.112  29.403
  438    H    HIS  60           HN       HIS  60  46.995 -10.596  31.136
  439    HA   HIS  60           HA       HIS  60  46.705 -13.470  31.724
  440    HB2  HIS  60           HB2      HIS  60  46.288 -12.984  33.876
  441    HB3  HIS  60           HB1      HIS  60  46.254 -11.252  33.551
  442    HD2  HIS  60           HD2      HIS  60  43.677 -10.160  33.233
  443    HE1  HIS  60           HE1      HIS  60  41.548 -13.774  33.708
  444    HE2  HIS  60           HE2      HIS  60  41.322 -11.253  33.510
  445    H    HIS  61           HN       HIS  61  45.273 -10.433  30.675
  446    HA   HIS  61           HA       HIS  61  43.486  -9.971  29.310
  447    HB2  HIS  61           HB2      HIS  61  44.677 -12.359  28.309
  448    HB3  HIS  61           HB1      HIS  61  42.926 -12.530  28.182
  449    HD2  HIS  61           HD2      HIS  61  45.745 -10.087  26.859
  450    HE1  HIS  61           HE1      HIS  61  42.219  -9.414  24.636
  451    HE2  HIS  61           HE2      HIS  61  44.680  -8.819  24.841
  452    H    HIS  62           HN       HIS  62  41.776  -9.544  30.592
  453    HA   HIS  62           HA       HIS  62  40.346 -11.730  31.907
  454    HB2  HIS  62           HB2      HIS  62  40.909  -9.192  32.722
  455    HB3  HIS  62           HB1      HIS  62  39.271  -8.990  32.100
  456    HD2  HIS  62           HD2      HIS  62  40.939 -10.192  35.294
  457    HE1  HIS  62           HE1      HIS  62  37.089 -11.924  35.315
  458    HE2  HIS  62           HE2      HIS  62  39.153 -11.455  36.719
  459    H    HIS  63           HN       HIS  63  40.331 -11.360  28.955
  460    HA   HIS  63           HA       HIS  63  37.591 -10.528  28.384
  461    HB2  HIS  63           HB2      HIS  63  38.176 -10.711  26.083
  462    HB3  HIS  63           HB1      HIS  63  39.577  -9.997  26.883
  463    HD2  HIS  63           HD2      HIS  63  40.419 -13.206  28.050
  464    HE1  HIS  63           HE1      HIS  63  41.297 -13.694  23.950
  465    HE2  HIS  63           HE2      HIS  63  41.662 -14.658  26.270
  466    H    HIS  64           HN       HIS  64  37.678 -12.709  30.101
  467    HA   HIS  64           HA       HIS  64  36.179 -14.646  28.565
  468    HB2  HIS  64           HB2      HIS  64  38.283 -15.633  28.113
  469    HB3  HIS  64           HB1      HIS  64  38.866 -15.331  29.750
  470    HD2  HIS  64           HD2      HIS  64  35.348 -17.007  29.152
  471    HE1  HIS  64           HE1      HIS  64  37.913 -19.878  30.884
  472    HE2  HIS  64           HE2      HIS  64  35.522 -19.406  30.169
  Start of MODEL   30
    1    H1   MET   1           HT1      MET   1  59.270 -32.070  -9.623
    2    H2   MET   1           HT2      MET   1  58.820 -31.331 -11.084
    3    H3   MET   1           HT3      MET   1  59.827 -32.700 -11.096
    4    HA   MET   1           HA       MET   1  57.058 -32.628 -11.273
    5    HB2  MET   1           HB2      MET   1  58.998 -34.258 -12.089
    6    HB3  MET   1           HB1      MET   1  58.548 -35.141 -10.630
    7    HG2  MET   1           HG2      MET   1  57.105 -36.078 -12.210
    8    HG3  MET   1           HG1      MET   1  56.099 -34.808 -11.517
    9    HE1  MET   1           HE1      MET   1  54.687 -35.306 -13.806
   10    HE2  MET   1           HE2      MET   1  55.965 -36.387 -14.356
   11    HE3  MET   1           HE3      MET   1  55.379 -35.112 -15.422
   12    H    GLU   2           HN       GLU   2  56.687 -35.214  -9.832
   13    HA   GLU   2           HA       GLU   2  56.951 -34.734  -7.028
   14    HB2  GLU   2           HB2      GLU   2  54.446 -34.561  -6.625
   15    HB3  GLU   2           HB1      GLU   2  55.219 -33.116  -7.277
   16    HG2  GLU   2           HG2      GLU   2  54.206 -33.326  -9.326
   17    HG3  GLU   2           HG1      GLU   2  54.197 -35.087  -9.256
   18    H    GLU   3           HN       GLU   3  57.741 -36.899  -8.334
   19    HA   GLU   3           HA       GLU   3  55.784 -38.945  -8.647
   20    HB2  GLU   3           HB2      GLU   3  58.781 -39.075  -8.253
   21    HB3  GLU   3           HB1      GLU   3  57.771 -40.471  -8.634
   22    HG2  GLU   3           HG2      GLU   3  57.508 -39.845 -10.803
   23    HG3  GLU   3           HG1      GLU   3  57.342 -38.140 -10.389
   24    H    GLY   4           HN       GLY   4  54.577 -38.679  -6.651
   25    HA2  GLY   4           HA2      GLY   4  55.843 -39.302  -4.128
   26    HA3  GLY   4           HA1      GLY   4  54.120 -39.058  -4.405
   27    H    GLY   5           HN       GLY   5  53.166 -40.833  -3.586
   28    HA2  GLY   5           HA2      GLY   5  53.501 -43.356  -4.920
   29    HA3  GLY   5           HA1      GLY   5  54.134 -43.379  -3.276
   30    H    ASP   6           HN       ASP   6  51.797 -41.146  -3.128
   31    HA   ASP   6           HA       ASP   6  49.333 -42.379  -3.291
   32    HB2  ASP   6           HB2      ASP   6  50.914 -43.403  -1.067
   33    HB3  ASP   6           HB1      ASP   6  49.418 -42.667  -0.509
   34    H    PHE   7           HN       PHE   7  49.283 -40.094  -3.890
   35    HA   PHE   7           HA       PHE   7  48.276 -38.488  -1.686
   36    HB2  PHE   7           HB2      PHE   7  50.702 -37.669  -3.295
   37    HB3  PHE   7           HB1      PHE   7  49.744 -36.544  -2.332
   38    HD1  PHE   7           HD2      PHE   7  49.505 -36.928   0.151
   39    HD2  PHE   7           HD1      PHE   7  52.271 -39.146  -2.273
   40    HE1  PHE   7           HE2      PHE   7  50.738 -37.618   2.189
   41    HE2  PHE   7           HE1      PHE   7  53.504 -39.836  -0.236
   42    HZ   PHE   7           HZ       PHE   7  52.738 -39.072   1.995
   43    H    ASP   8           HN       ASP   8  46.611 -39.370  -3.452
   44    HA   ASP   8           HA       ASP   8  45.958 -37.031  -5.081
   45    HB2  ASP   8           HB2      ASP   8  46.436 -39.794  -6.190
   46    HB3  ASP   8           HB1      ASP   8  45.405 -38.625  -7.014
   47    H    ASN   9           HN       ASN   9  44.652 -37.562  -2.837
   48    HA   ASN   9           HA       ASN   9  42.073 -38.623  -3.787
   49    HB2  ASN   9           HB2      ASN   9  43.174 -39.210  -1.034
   50    HB3  ASN   9           HB1      ASN   9  41.711 -39.862  -1.770
   51   HD21  ASN   9          HD21      ASN   9  44.507 -41.051  -0.863
   52   HD22  ASN   9          HD22      ASN   9  44.909 -42.056  -2.171
   53    H    TYR  10           HN       TYR  10  42.571 -35.975  -3.814
   54    HA   TYR  10           HA       TYR  10  42.041 -33.917  -2.904
   55    HB2  TYR  10           HB2      TYR  10  39.783 -35.641  -3.063
   56    HB3  TYR  10           HB1      TYR  10  39.606 -34.650  -1.617
   57    HD1  TYR  10           HD1      TYR  10  40.909 -34.182  -5.111
   58    HD2  TYR  10           HD2      TYR  10  38.438 -32.657  -1.943
   59    HE1  TYR  10           HE1      TYR  10  40.288 -32.243  -6.528
   60    HE2  TYR  10           HE2      TYR  10  37.819 -30.720  -3.360
   61    HH   TYR  10           HH       TYR  10  38.395 -30.612  -6.681
   62    H    TYR  11           HN       TYR  11  43.449 -35.934  -1.088
   63    HA   TYR  11           HA       TYR  11  43.983 -36.192   1.148
   64    HB2  TYR  11           HB2      TYR  11  43.557 -33.292   1.605
   65    HB3  TYR  11           HB1      TYR  11  44.979 -34.289   1.917
   66    HD1  TYR  11           HD2      TYR  11  43.145 -32.339  -0.612
   67    HD2  TYR  11           HD1      TYR  11  46.618 -34.744   0.164
   68    HE1  TYR  11           HE2      TYR  11  44.155 -31.568  -2.741
   69    HE2  TYR  11           HE1      TYR  11  47.629 -33.971  -1.964
   70    HH   TYR  11           HH       TYR  11  47.213 -31.659  -3.462
   71    H    GLY  12           HN       GLY  12  41.256 -36.693   0.681
   72    HA2  GLY  12           HA2      GLY  12  39.165 -36.693   1.686
   73    HA3  GLY  12           HA1      GLY  12  40.135 -36.921   3.137
   74    H    ALA  13           HN       ALA  13  40.337 -34.004   1.228
   75    HA   ALA  13           HA       ALA  13  38.421 -32.351   2.234
   76    HB1  ALA  13           HB1      ALA  13  40.480 -32.977   4.281
   77    HB2  ALA  13           HB2      ALA  13  38.786 -32.527   4.484
   78    HB3  ALA  13           HB3      ALA  13  39.992 -31.288   4.137
   79    H    ASP  14           HN       ASP  14  38.743 -31.126   0.446
   80    HA   ASP  14           HA       ASP  14  41.153 -29.452   0.413
   81    HB2  ASP  14           HB2      ASP  14  41.006 -31.622  -1.257
   82    HB3  ASP  14           HB1      ASP  14  40.325 -30.345  -2.263
   83    H    ASN  15           HN       ASN  15  38.343 -29.012   1.106
   84    HA   ASN  15           HA       ASN  15  37.830 -26.803  -0.763
   85    HB2  ASN  15           HB2      ASN  15  35.466 -27.342  -0.913
   86    HB3  ASN  15           HB1      ASN  15  36.413 -28.723  -1.464
   87   HD21  ASN  15          HD21      ASN  15  35.635 -30.658  -0.636
   88   HD22  ASN  15          HD22      ASN  15  34.898 -30.844   0.882
   89    H    GLN  16           HN       GLN  16  37.356 -28.326   2.360
   90    HA   GLN  16           HA       GLN  16  36.052 -25.968   3.473
   91    HB2  GLN  16           HB2      GLN  16  36.140 -27.318   5.602
   92    HB3  GLN  16           HB1      GLN  16  35.246 -28.078   4.284
   93    HG2  GLN  16           HG2      GLN  16  38.102 -28.725   4.240
   94    HG3  GLN  16           HG1      GLN  16  37.302 -29.257   5.718
   95   HE21  GLN  16          HE21      GLN  16  37.339 -29.641   2.188
   96   HE22  GLN  16          HE22      GLN  16  36.375 -31.037   2.162
   97    H    SER  17           HN       SER  17  38.954 -26.124   2.463
   98    HA   SER  17           HA       SER  17  40.082 -24.641   4.720
   99    HB2  SER  17           HB2      SER  17  40.789 -27.066   4.925
  100    HB3  SER  17           HB1      SER  17  41.647 -26.864   3.400
  101    HG   SER  17           HG       SER  17  42.750 -25.088   4.421
  102    H    GLU  18           HN       GLU  18  40.342 -25.735   1.375
  103    HA   GLU  18           HA       GLU  18  41.407 -24.833  -0.455
  104    HB2  GLU  18           HB2      GLU  18  39.500 -23.083   0.584
  105    HB3  GLU  18           HB1      GLU  18  40.897 -22.062   0.243
  106    HG2  GLU  18           HG2      GLU  18  39.600 -22.147  -1.773
  107    HG3  GLU  18           HG1      GLU  18  41.015 -23.162  -2.036
  108    H    CYS  19           HN       CYS  19  43.572 -25.170  -0.279
  109    HA   CYS  19           HA       CYS  19  45.166 -23.160   1.186
  110    HB2  CYS  19           HB2      CYS  19  45.282 -25.926   1.272
  111    HB3  CYS  19           HB1      CYS  19  46.607 -25.496   0.191
  112    HG   CYS  19           HG       CYS  19  46.685 -23.716   2.621
  113    H    GLU  20           HN       GLU  20  43.977 -23.437  -1.745
  114    HA   GLU  20           HA       GLU  20  44.643 -22.916  -3.892
  115    HB2  GLU  20           HB2      GLU  20  45.017 -20.797  -2.372
  116    HB3  GLU  20           HB1      GLU  20  46.719 -21.115  -2.709
  117    HG2  GLU  20           HG2      GLU  20  46.135 -21.190  -5.162
  118    HG3  GLU  20           HG1      GLU  20  44.516 -20.639  -4.732
  119    H    TYR  21           HN       TYR  21  46.311 -24.942  -2.224
  120    HA   TYR  21           HA       TYR  21  47.995 -26.415  -2.788
  121    HB2  TYR  21           HB2      TYR  21  47.235 -25.543  -5.207
  122    HB3  TYR  21           HB1      TYR  21  48.855 -24.847  -5.163
  123    HD1  TYR  21           HD1      TYR  21  47.008 -28.048  -4.573
  124    HD2  TYR  21           HD2      TYR  21  50.732 -26.183  -5.623
  125    HE1  TYR  21           HE1      TYR  21  47.980 -30.273  -5.078
  126    HE2  TYR  21           HE2      TYR  21  51.704 -28.408  -6.127
  127    HH   TYR  21           HH       TYR  21  50.984 -30.988  -5.166
  128    H    THR  22           HN       THR  22  48.418 -24.268  -1.018
  129    HA   THR  22           HA       THR  22  50.137 -23.239   0.106
  130    HB   THR  22           HB       THR  22  52.239 -24.225   0.022
  131    HG1  THR  22           HG1      THR  22  53.236 -24.712  -1.807
  132   HG21  THR  22          HG21      THR  22  50.917 -26.456  -1.449
  133   HG22  THR  22          HG22      THR  22  50.136 -25.883   0.025
  134   HG23  THR  22          HG23      THR  22  51.794 -26.482   0.081
  135    H    ASP  23           HN       ASP  23  48.915 -21.737  -1.814
  136    HA   ASP  23           HA       ASP  23  51.158 -20.110  -2.829
  137    HB2  ASP  23           HB2      ASP  23  48.731 -21.055  -4.346
  138    HB3  ASP  23           HB1      ASP  23  49.615 -19.607  -4.825
  139    H    TRP  24           HN       TRP  24  48.604 -20.270  -0.818
  140    HA   TRP  24           HA       TRP  24  47.444 -17.657  -1.339
  141    HB2  TRP  24           HB2      TRP  24  46.021 -18.123   0.558
  142    HB3  TRP  24           HB1      TRP  24  46.107 -19.576  -0.438
  143    HD1  TRP  24           HD1      TRP  24  47.961 -21.459   0.392
  144    HE1  TRP  24           HE1      TRP  24  48.596 -22.140   2.796
  145    HE3  TRP  24           HE3      TRP  24  46.238 -17.388   2.950
  146    HZ2  TRP  24           HZ2      TRP  24  48.399 -21.098   5.453
  147    HZ3  TRP  24           HZ3      TRP  24  46.474 -17.258   5.414
  148    HH2  TRP  24           HH2      TRP  24  47.552 -19.108   6.667
  149    H    LYS  25           HN       LYS  25  50.336 -18.523  -0.187
  150    HA   LYS  25           HA       LYS  25  50.594 -16.075   1.378
  151    HB2  LYS  25           HB2      LYS  25  51.947 -17.546   3.097
  152    HB3  LYS  25           HB1      LYS  25  50.198 -17.376   3.252
  153    HG2  LYS  25           HG2      LYS  25  50.940 -19.747   3.448
  154    HG3  LYS  25           HG1      LYS  25  49.854 -19.497   2.082
  155    HD2  LYS  25           HD2      LYS  25  51.633 -19.581   0.512
  156    HD3  LYS  25           HD1      LYS  25  52.855 -19.365   1.765
  157    HE2  LYS  25           HE2      LYS  25  51.020 -21.765   1.705
  158    HE3  LYS  25           HE1      LYS  25  52.571 -21.745   0.866
  159    HZ1  LYS  25           HZ1      LYS  25  52.124 -22.307   3.529
  160    HZ2  LYS  25           HZ2      LYS  25  52.853 -20.773   3.512
  161    HZ3  LYS  25           HZ3      LYS  25  53.624 -22.091   2.769
  162    H    SER  26           HN       SER  26  51.580 -17.508  -1.164
  163    HA   SER  26           HA       SER  26  54.283 -16.506  -1.003
  164    HB2  SER  26           HB2      SER  26  55.100 -18.849  -1.897
  165    HB3  SER  26           HB1      SER  26  54.981 -18.546  -0.166
  166    HG   SER  26           HG       SER  26  53.350 -19.885  -0.048
  167    H    SER  27           HN       SER  27  53.582 -19.147  -3.126
  168    HA   SER  27           HA       SER  27  53.258 -19.278  -5.391
  169    HB2  SER  27           HB2      SER  27  51.631 -17.905  -6.360
  170    HB3  SER  27           HB1      SER  27  51.197 -17.883  -4.654
  171    HG   SER  27           HG       SER  27  51.591 -15.819  -6.099
  172    H    GLY  28           HN       GLY  28  53.820 -15.785  -4.930
  173    HA2  GLY  28           HA2      GLY  28  56.305 -16.050  -6.512
  174    HA3  GLY  28           HA1      GLY  28  55.135 -14.781  -6.859
  175    H    ALA  29           HN       ALA  29  54.733 -14.877  -3.734
  176    HA   ALA  29           HA       ALA  29  55.655 -13.888  -1.858
  177    HB1  ALA  29           HB1      ALA  29  57.925 -13.598  -1.666
  178    HB2  ALA  29           HB2      ALA  29  58.094 -12.961  -3.301
  179    HB3  ALA  29           HB3      ALA  29  57.904 -14.695  -3.045
  180    H    LEU  30           HN       LEU  30  53.830 -12.623  -3.393
  181    HA   LEU  30           HA       LEU  30  54.743  -9.817  -3.312
  182    HB2  LEU  30           HB2      LEU  30  52.577 -10.199  -5.192
  183    HB3  LEU  30           HB1      LEU  30  54.151  -9.451  -5.442
  184    HG   LEU  30           HG       LEU  30  55.117 -11.801  -5.618
  185   HD11  LEU  30          HD11      LEU  30  52.520 -12.496  -4.771
  186   HD12  LEU  30          HD12      LEU  30  53.782 -13.599  -5.315
  187   HD13  LEU  30          HD13      LEU  30  52.602 -12.974  -6.465
  188   HD21  LEU  30          HD21      LEU  30  53.248 -10.495  -7.546
  189   HD22  LEU  30          HD22      LEU  30  53.812 -12.122  -7.931
  190   HD23  LEU  30          HD23      LEU  30  54.976 -10.817  -7.699
  191    H    ILE  31           HN       ILE  31  52.249 -12.175  -2.736
  192    HA   ILE  31           HA       ILE  31  50.270 -10.225  -1.947
  193    HB   ILE  31           HB       ILE  31  50.377 -13.133  -2.337
  194   HG12  ILE  31          HG12      ILE  31  48.112 -12.724  -3.139
  195   HG13  ILE  31          HG11      ILE  31  48.122 -11.111  -2.425
  196   HG21  ILE  31          HG21      ILE  31  48.712 -11.955  -0.088
  197   HG22  ILE  31          HG22      ILE  31  49.887 -13.269   0.031
  198   HG23  ILE  31          HG23      ILE  31  48.379 -13.510  -0.845
  199   HD11  ILE  31          HD11      ILE  31  50.400 -11.663  -4.216
  200   HD12  ILE  31          HD12      ILE  31  49.367 -10.237  -4.115
  201   HD13  ILE  31          HD13      ILE  31  48.829 -11.655  -5.016
  202    HA   PRO  32           HA       PRO  32  51.582 -11.584   2.397
  203    HB2  PRO  32           HB2      PRO  32  53.830 -13.059   2.749
  204    HB3  PRO  32           HB1      PRO  32  52.265 -13.789   2.346
  205    HG2  PRO  32           HG2      PRO  32  54.646 -13.395   0.661
  206    HG3  PRO  32           HG1      PRO  32  53.359 -14.604   0.542
  207    HD2  PRO  32           HD2      PRO  32  53.626 -12.217  -0.999
  208    HD3  PRO  32           HD1      PRO  32  52.265 -13.357  -1.014
  209    H    ALA  33           HN       ALA  33  52.858  -9.587   0.474
  210    HA   ALA  33           HA       ALA  33  54.968  -8.620   2.310
  211    HB1  ALA  33           HB1      ALA  33  56.442  -8.524   0.626
  212    HB2  ALA  33           HB2      ALA  33  55.312  -7.592  -0.356
  213    HB3  ALA  33           HB3      ALA  33  55.270  -9.355  -0.399
  214    H    ILE  34           HN       ILE  34  51.936  -8.102   1.167
  215    HA   ILE  34           HA       ILE  34  52.093  -5.236   1.793
  216    HB   ILE  34           HB       ILE  34  50.171  -5.519  -0.272
  217   HG12  ILE  34          HG12      ILE  34  52.903  -6.616  -1.017
  218   HG13  ILE  34          HG11      ILE  34  51.425  -7.573  -0.911
  219   HG21  ILE  34          HG21      ILE  34  52.938  -4.273  -0.307
  220   HG22  ILE  34          HG22      ILE  34  51.491  -3.499   0.339
  221   HG23  ILE  34          HG23      ILE  34  51.600  -3.865  -1.381
  222   HD11  ILE  34          HD11      ILE  34  51.924  -5.245  -2.787
  223   HD12  ILE  34          HD12      ILE  34  50.388  -6.098  -2.633
  224   HD13  ILE  34          HD13      ILE  34  51.811  -6.946  -3.238
  225    H    TYR  35           HN       TYR  35  49.989  -8.012   1.087
  226    HA   TYR  35           HA       TYR  35  47.727  -6.865   2.457
  227    HB2  TYR  35           HB2      TYR  35  48.317  -9.576   1.277
  228    HB3  TYR  35           HB1      TYR  35  46.844  -9.265   2.195
  229    HD1  TYR  35           HD2      TYR  35  45.150  -7.687   1.377
  230    HD2  TYR  35           HD1      TYR  35  48.695  -8.539  -0.894
  231    HE1  TYR  35           HE2      TYR  35  44.120  -6.642  -0.624
  232    HE2  TYR  35           HE1      TYR  35  47.665  -7.495  -2.894
  233    HH   TYR  35           HH       TYR  35  45.624  -6.844  -3.779
  234    H    MET  36           HN       MET  36  50.290  -7.199   3.940
  235    HA   MET  36           HA       MET  36  49.178  -8.686   6.231
  236    HB2  MET  36           HB2      MET  36  52.067  -8.839   5.342
  237    HB3  MET  36           HB1      MET  36  51.336  -9.683   6.708
  238    HG2  MET  36           HG2      MET  36  50.512 -10.045   3.812
  239    HG3  MET  36           HG1      MET  36  51.557 -11.148   4.708
  240    HE1  MET  36           HE1      MET  36  48.060 -12.827   4.129
  241    HE2  MET  36           HE2      MET  36  49.507 -12.259   3.301
  242    HE3  MET  36           HE3      MET  36  48.091 -11.217   3.396
  243    H    LEU  37           HN       LEU  37  51.816  -6.524   5.185
  244    HA   LEU  37           HA       LEU  37  52.403  -5.449   7.711
  245    HB2  LEU  37           HB2      LEU  37  52.723  -4.351   4.918
  246    HB3  LEU  37           HB1      LEU  37  53.281  -3.480   6.347
  247    HG   LEU  37           HG       LEU  37  54.064  -6.348   6.101
  248   HD11  LEU  37          HD11      LEU  37  54.484  -5.522   3.836
  249   HD12  LEU  37          HD12      LEU  37  56.016  -5.700   4.692
  250   HD13  LEU  37          HD13      LEU  37  55.303  -4.100   4.482
  251   HD21  LEU  37          HD21      LEU  37  56.072  -5.523   7.209
  252   HD22  LEU  37          HD22      LEU  37  54.659  -4.876   8.044
  253   HD23  LEU  37          HD23      LEU  37  55.575  -3.853   6.938
  254    H    VAL  38           HN       VAL  38  49.537  -5.289   6.088
  255    HA   VAL  38           HA       VAL  38  48.711  -2.919   7.622
  256    HB   VAL  38           HB       VAL  38  47.594  -3.240   4.874
  257   HG11  VAL  38          HG11      VAL  38  47.447  -0.798   5.059
  258   HG12  VAL  38          HG12      VAL  38  48.348  -0.843   6.575
  259   HG13  VAL  38          HG13      VAL  38  46.737  -1.555   6.486
  260   HG21  VAL  38          HG21      VAL  38  50.317  -2.075   5.531
  261   HG22  VAL  38          HG22      VAL  38  49.456  -1.773   4.022
  262   HG23  VAL  38          HG23      VAL  38  49.974  -3.409   4.429
  263    H    PHE  39           HN       PHE  39  47.376  -5.302   5.316
  264    HA   PHE  39           HA       PHE  39  44.798  -5.463   6.196
  265    HB2  PHE  39           HB2      PHE  39  46.400  -6.976   4.519
  266    HB3  PHE  39           HB1      PHE  39  45.905  -8.129   5.758
  267    HD1  PHE  39           HD1      PHE  39  43.505  -8.575   6.182
  268    HD2  PHE  39           HD2      PHE  39  44.798  -5.998   2.996
  269    HE1  PHE  39           HE1      PHE  39  41.253  -8.719   5.151
  270    HE2  PHE  39           HE2      PHE  39  42.547  -6.143   1.966
  271    HZ   PHE  39           HZ       PHE  39  40.775  -7.503   3.042
  272    H    LEU  40           HN       LEU  40  47.327  -7.715   7.341
  273    HA   LEU  40           HA       LEU  40  45.761  -8.113   9.801
  274    HB2  LEU  40           HB2      LEU  40  47.914  -9.718   8.433
  275    HB3  LEU  40           HB1      LEU  40  47.443 -10.033  10.104
  276    HG   LEU  40           HG       LEU  40  45.194  -9.759   8.204
  277   HD11  LEU  40          HD11      LEU  40  47.181 -12.041   8.049
  278   HD12  LEU  40          HD12      LEU  40  46.666 -10.982   6.738
  279   HD13  LEU  40          HD13      LEU  40  45.534 -12.145   7.427
  280   HD21  LEU  40          HD21      LEU  40  45.903 -11.899  10.234
  281   HD22  LEU  40          HD22      LEU  40  44.314 -11.586   9.536
  282   HD23  LEU  40          HD23      LEU  40  45.042 -10.413  10.634
  283    H    LEU  41           HN       LEU  41  46.667  -5.784  10.192
  284    HA   LEU  41           HA       LEU  41  48.715  -6.043  12.188
  285    HB2  LEU  41           HB2      LEU  41  50.228  -5.893  10.331
  286    HB3  LEU  41           HB1      LEU  41  49.311  -4.570   9.614
  287    HG   LEU  41           HG       LEU  41  49.960  -3.059  11.376
  288   HD11  LEU  41          HD11      LEU  41  50.956  -5.579  12.705
  289   HD12  LEU  41          HD12      LEU  41  49.860  -4.357  13.351
  290   HD13  LEU  41          HD13      LEU  41  51.577  -3.996  13.171
  291   HD21  LEU  41          HD21      LEU  41  51.766  -4.246   9.623
  292   HD22  LEU  41          HD22      LEU  41  52.601  -4.294  11.176
  293   HD23  LEU  41          HD23      LEU  41  52.032  -2.756  10.527
  294    H    GLY  42           HN       GLY  42  47.517  -3.441  10.054
  295    HA2  GLY  42           HA2      GLY  42  47.360  -1.389  11.865
  296    HA3  GLY  42           HA1      GLY  42  46.233  -1.578  10.527
  297    H    THR  43           HN       THR  43  45.382  -4.231  11.710
  298    HA   THR  43           HA       THR  43  43.866  -3.270  14.049
  299    HB   THR  43           HB       THR  43  42.250  -3.005  12.355
  300    HG1  THR  43           HG1      THR  43  41.739  -4.519  14.146
  301   HG21  THR  43          HG21      THR  43  42.866  -3.880  10.356
  302   HG22  THR  43          HG22      THR  43  41.997  -5.318  10.894
  303   HG23  THR  43          HG23      THR  43  43.744  -5.211  11.109
  304    H    THR  44           HN       THR  44  43.063  -6.222  12.449
  305    HA   THR  44           HA       THR  44  42.959  -8.344  13.379
  306    HB   THR  44           HB       THR  44  44.946  -8.435  11.993
  307    HG1  THR  44           HG1      THR  44  44.910 -10.317  12.932
  308   HG21  THR  44          HG21      THR  44  46.261  -6.609  12.836
  309   HG22  THR  44          HG22      THR  44  47.195  -8.078  13.102
  310   HG23  THR  44          HG23      THR  44  46.337  -7.328  14.445
  311    H    GLY  45           HN       GLY  45  42.666  -6.272  15.400
  312    HA2  GLY  45           HA2      GLY  45  42.347  -6.335  17.694
  313    HA3  GLY  45           HA1      GLY  45  43.120  -7.916  17.721
  314    H    ASN  46           HN       ASN  46  45.372  -6.424  16.124
  315    HA   ASN  46           HA       ASN  46  47.157  -6.128  18.279
  316    HB2  ASN  46           HB2      ASN  46  47.222  -5.255  15.400
  317    HB3  ASN  46           HB1      ASN  46  48.527  -4.832  16.508
  318   HD21  ASN  46          HD21      ASN  46  46.789  -7.863  16.953
  319   HD22  ASN  46          HD22      ASN  46  48.050  -8.872  16.430
  320    H    GLY  47           HN       GLY  47  44.597  -4.193  17.455
  321    HA2  GLY  47           HA2      GLY  47  45.854  -1.654  18.188
  322    HA3  GLY  47           HA1      GLY  47  44.197  -1.877  17.638
  323    H    LEU  48           HN       LEU  48  44.215  -4.247  19.675
  324    HA   LEU  48           HA       LEU  48  44.084  -2.751  22.188
  325    HB2  LEU  48           HB2      LEU  48  41.790  -3.639  22.639
  326    HB3  LEU  48           HB1      LEU  48  41.842  -2.462  21.326
  327    HG   LEU  48           HG       LEU  48  42.334  -5.037  20.200
  328   HD11  LEU  48          HD11      LEU  48  39.845  -4.904  21.931
  329   HD12  LEU  48          HD12      LEU  48  41.242  -5.938  22.234
  330   HD13  LEU  48          HD13      LEU  48  40.247  -6.195  20.799
  331   HD21  LEU  48          HD21      LEU  48  41.328  -3.109  19.048
  332   HD22  LEU  48          HD22      LEU  48  39.921  -3.196  20.108
  333   HD23  LEU  48          HD23      LEU  48  40.247  -4.500  18.967
  334    H    VAL  49           HN       VAL  49  45.687  -4.969  20.993
  335    HA   VAL  49           HA       VAL  49  45.283  -6.889  23.187
  336    HB   VAL  49           HB       VAL  49  45.702  -7.618  20.279
  337   HG11  VAL  49          HG11      VAL  49  45.965  -9.139  22.849
  338   HG12  VAL  49          HG12      VAL  49  46.932  -9.254  21.378
  339   HG13  VAL  49          HG13      VAL  49  45.321  -9.973  21.434
  340   HG21  VAL  49          HG21      VAL  49  43.425  -8.115  22.225
  341   HG22  VAL  49          HG22      VAL  49  43.527  -8.792  20.599
  342   HG23  VAL  49          HG23      VAL  49  43.379  -7.049  20.820
  343    H    LEU  50           HN       LEU  50  47.381  -5.511  20.715
  344    HA   LEU  50           HA       LEU  50  49.747  -6.641  22.044
  345    HB2  LEU  50           HB2      LEU  50  49.443  -6.751  19.522
  346    HB3  LEU  50           HB1      LEU  50  49.680  -5.003  19.508
  347    HG   LEU  50           HG       LEU  50  51.782  -5.803  21.062
  348   HD11  LEU  50          HD11      LEU  50  51.648  -7.844  18.839
  349   HD12  LEU  50          HD12      LEU  50  51.053  -8.204  20.460
  350   HD13  LEU  50          HD13      LEU  50  52.751  -7.794  20.215
  351   HD21  LEU  50          HD21      LEU  50  53.139  -5.501  18.979
  352   HD22  LEU  50          HD22      LEU  50  51.924  -4.240  19.192
  353   HD23  LEU  50          HD23      LEU  50  51.648  -5.547  18.040
  354    H    TRP  51           HN       TRP  51  48.676  -3.489  20.746
  355    HA   TRP  51           HA       TRP  51  50.644  -1.898  21.891
  356    HB2  TRP  51           HB2      TRP  51  49.468  -0.347  20.787
  357    HB3  TRP  51           HB1      TRP  51  48.148  -1.496  20.566
  358    HD1  TRP  51           HD1      TRP  51  46.297  -1.610  22.565
  359    HE1  TRP  51           HE1      TRP  51  45.461   0.245  24.150
  360    HE3  TRP  51           HE3      TRP  51  50.082   1.778  22.034
  361    HZ2  TRP  51           HZ2      TRP  51  46.288   2.824  25.070
  362    HZ3  TRP  51           HZ3      TRP  51  50.033   3.923  23.276
  363    HH2  TRP  51           HH2      TRP  51  48.142   4.449  24.792
  364    H    THR  52           HN       THR  52  48.358  -3.775  23.474
  365    HA   THR  52           HA       THR  52  48.341  -2.062  25.871
  366    HB   THR  52           HB       THR  52  46.201  -3.107  24.872
  367    HG1  THR  52           HG1      THR  52  46.127  -2.236  26.888
  368   HG21  THR  52          HG21      THR  52  47.534  -5.392  24.795
  369   HG22  THR  52          HG22      THR  52  45.805  -5.375  25.147
  370   HG23  THR  52          HG23      THR  52  46.971  -5.524  26.462
  371    H    VAL  53           HN       VAL  53  49.622  -5.001  24.562
  372    HA   VAL  53           HA       VAL  53  50.240  -6.336  26.990
  373    HB   VAL  53           HB       VAL  53  51.375  -6.499  24.200
  374   HG11  VAL  53          HG11      VAL  53  52.259  -7.820  26.751
  375   HG12  VAL  53          HG12      VAL  53  53.240  -7.188  25.428
  376   HG13  VAL  53          HG13      VAL  53  52.365  -8.706  25.229
  377   HG21  VAL  53          HG21      VAL  53  50.124  -8.816  25.538
  378   HG22  VAL  53          HG22      VAL  53  49.871  -8.186  23.910
  379   HG23  VAL  53          HG23      VAL  53  49.040  -7.450  25.280
  380    H    PHE  54           HN       PHE  54  51.834  -3.815  25.151
  381    HA   PHE  54           HA       PHE  54  54.173  -3.930  26.931
  382    HB2  PHE  54           HB2      PHE  54  55.378  -2.954  25.263
  383    HB3  PHE  54           HB1      PHE  54  54.084  -3.596  24.251
  384    HD1  PHE  54           HD1      PHE  54  52.008  -2.082  23.884
  385    HD2  PHE  54           HD2      PHE  54  55.787  -0.640  25.331
  386    HE1  PHE  54           HE1      PHE  54  51.383   0.224  23.219
  387    HE2  PHE  54           HE2      PHE  54  55.162   1.666  24.667
  388    HZ   PHE  54           HZ       PHE  54  52.960   2.098  23.611
  389    H    ARG  55           HN       ARG  55  51.313  -2.816  27.415
  390    HA   ARG  55           HA       ARG  55  52.218  -0.237  28.546
  391    HB2  ARG  55           HB2      ARG  55  50.674  -0.066  26.502
  392    HB3  ARG  55           HB1      ARG  55  49.413  -0.714  27.550
  393    HG2  ARG  55           HG2      ARG  55  50.005   1.140  29.197
  394    HG3  ARG  55           HG1      ARG  55  50.972   1.852  27.905
  395    HD2  ARG  55           HD2      ARG  55  49.073   2.868  27.231
  396    HD3  ARG  55           HD1      ARG  55  48.563   1.283  26.655
  397    HE   ARG  55           HE       ARG  55  47.818   1.228  29.260
  398   HH11  ARG  55          HH21      ARG  55  47.413   3.517  26.697
  399   HH12  ARG  55          HH22      ARG  55  45.900   4.119  27.289
  400   HH21  ARG  55          HH11      ARG  55  45.835   2.012  30.041
  401   HH22  ARG  55          HH12      ARG  55  45.007   3.266  29.181
  402    H    LYS  56           HN       LYS  56  49.727  -2.780  28.713
  403    HA   LYS  56           HA       LYS  56  48.686  -2.142  31.228
  404    HB2  LYS  56           HB2      LYS  56  47.932  -4.490  31.309
  405    HB3  LYS  56           HB1      LYS  56  47.630  -3.769  29.727
  406    HG2  LYS  56           HG2      LYS  56  48.712  -5.571  28.885
  407    HG3  LYS  56           HG1      LYS  56  50.186  -4.781  29.449
  408    HD2  LYS  56           HD2      LYS  56  49.982  -5.950  31.616
  409    HD3  LYS  56           HD1      LYS  56  48.517  -6.749  31.044
  410    HE2  LYS  56           HE2      LYS  56  49.680  -8.061  29.493
  411    HE3  LYS  56           HE1      LYS  56  51.060  -6.961  29.452
  412    HZ1  LYS  56           HZ1      LYS  56  50.280  -8.764  31.677
  413    HZ2  LYS  56           HZ2      LYS  56  51.509  -7.596  31.783
  414    HZ3  LYS  56           HZ3      LYS  56  51.657  -8.891  30.695
  415    H    LYS  57           HN       LYS  57  51.581  -3.910  30.323
  416    HA   LYS  57           HA       LYS  57  52.149  -5.061  32.844
  417    HB2  LYS  57           HB2      LYS  57  54.473  -5.243  31.977
  418    HB3  LYS  57           HB1      LYS  57  53.271  -5.833  30.827
  419    HG2  LYS  57           HG2      LYS  57  54.107  -4.399  29.308
  420    HG3  LYS  57           HG1      LYS  57  53.531  -3.070  30.315
  421    HD2  LYS  57           HD2      LYS  57  55.901  -2.749  29.963
  422    HD3  LYS  57           HD1      LYS  57  55.668  -3.249  31.639
  423    HE2  LYS  57           HE2      LYS  57  55.915  -5.638  30.164
  424    HE3  LYS  57           HE1      LYS  57  57.171  -4.565  29.546
  425    HZ1  LYS  57           HZ1      LYS  57  56.700  -5.297  32.384
  426    HZ2  LYS  57           HZ2      LYS  57  57.831  -4.139  31.866
  427    HZ3  LYS  57           HZ3      LYS  57  58.013  -5.768  31.419
  428    H    GLY  58           HN       GLY  58  51.779  -1.901  32.173
  429    HA2  GLY  58           HA2      GLY  58  53.465  -1.104  34.437
  430    HA3  GLY  58           HA1      GLY  58  53.703  -0.264  32.908
  431    H    HIS  59           HN       HIS  59  51.441   0.387  31.893
  432    HA   HIS  59           HA       HIS  59  49.539   1.674  32.036
  433    HB2  HIS  59           HB2      HIS  59  49.233  -0.145  34.075
  434    HB3  HIS  59           HB1      HIS  59  49.120   1.395  34.928
  435    HD2  HIS  59           HD2      HIS  59  47.474   0.045  31.538
  436    HE1  HIS  59           HE1      HIS  59  44.629   2.303  33.691
  437    HE2  HIS  59           HE2      HIS  59  45.021   0.938  31.585
  438    H    HIS  60           HN       HIS  60  51.161   2.024  35.202
  439    HA   HIS  60           HA       HIS  60  51.751   4.825  34.551
  440    HB2  HIS  60           HB2      HIS  60  50.434   5.743  36.143
  441    HB3  HIS  60           HB1      HIS  60  49.535   4.228  36.048
  442    HD2  HIS  60           HD2      HIS  60  50.377   2.269  38.082
  443    HE1  HIS  60           HE1      HIS  60  52.074   5.216  40.583
  444    HE2  HIS  60           HE2      HIS  60  51.316   2.796  40.461
  445    H    HIS  61           HN       HIS  61  52.961   1.991  35.352
  446    HA   HIS  61           HA       HIS  61  55.372   3.036  36.434
  447    HB2  HIS  61           HB2      HIS  61  53.441   2.698  38.375
  448    HB3  HIS  61           HB1      HIS  61  54.342   1.184  38.456
  449    HD2  HIS  61           HD2      HIS  61  55.536   4.994  38.193
  450    HE1  HIS  61           HE1      HIS  61  57.963   2.941  40.971
  451    HE2  HIS  61           HE2      HIS  61  57.544   5.181  39.851
  452    H    HIS  62           HN       HIS  62  56.767   1.799  35.363
  453    HA   HIS  62           HA       HIS  62  56.355  -0.582  34.089
  454    HB2  HIS  62           HB2      HIS  62  58.420   0.747  33.878
  455    HB3  HIS  62           HB1      HIS  62  58.906   0.241  35.496
  456    HD2  HIS  62           HD2      HIS  62  58.593  -1.301  31.888
  457    HE1  HIS  62           HE1      HIS  62  60.509  -4.127  34.371
  458    HE2  HIS  62           HE2      HIS  62  59.839  -3.593  31.980
  459    H    HIS  63           HN       HIS  63  56.783  -0.060  37.501
  460    HA   HIS  63           HA       HIS  63  56.680  -2.979  37.964
  461    HB2  HIS  63           HB2      HIS  63  58.741  -1.580  38.738
  462    HB3  HIS  63           HB1      HIS  63  57.656  -1.018  40.011
  463    HD2  HIS  63           HD2      HIS  63  58.128  -4.735  38.627
  464    HE1  HIS  63           HE1      HIS  63  58.540  -4.740  42.829
  465    HE2  HIS  63           HE2      HIS  63  58.505  -6.202  40.754
  466    H    HIS  64           HN       HIS  64  56.292  -2.352  40.818
  467    HA   HIS  64           HA       HIS  64  53.401  -2.259  40.779
  468    HB2  HIS  64           HB2      HIS  64  53.507  -3.186  42.856
  469    HB3  HIS  64           HB1      HIS  64  55.164  -3.553  42.371
  470    HD2  HIS  64           HD2      HIS  64  57.157  -1.950  43.624
  471    HE1  HIS  64           HE1      HIS  64  54.515   0.079  46.216
  472    HE2  HIS  64           HE2      HIS  64  56.959  -0.350  45.679
  Start of MODEL   31
    1    H1   MET   1           HT1      MET   1  53.702 -18.849 -44.574
    2    H2   MET   1           HT2      MET   1  52.876 -20.166 -43.889
    3    H3   MET   1           HT3      MET   1  53.216 -18.792 -42.950
    4    HA   MET   1           HA       MET   1  51.716 -18.230 -45.346
    5    HB2  MET   1           HB2      MET   1  49.587 -19.068 -44.183
    6    HB3  MET   1           HB1      MET   1  50.613 -20.298 -44.920
    7    HG2  MET   1           HG2      MET   1  51.185 -19.582 -42.085
    8    HG3  MET   1           HG1      MET   1  49.724 -20.518 -42.398
    9    HE1  MET   1           HE1      MET   1  51.371 -21.519 -40.608
   10    HE2  MET   1           HE2      MET   1  53.079 -21.451 -41.035
   11    HE3  MET   1           HE3      MET   1  52.246 -23.004 -41.005
   12    H    GLU   2           HN       GLU   2  53.105 -17.550 -42.466
   13    HA   GLU   2           HA       GLU   2  52.903 -15.876 -40.898
   14    HB2  GLU   2           HB2      GLU   2  53.268 -14.510 -42.900
   15    HB3  GLU   2           HB1      GLU   2  51.535 -14.518 -43.234
   16    HG2  GLU   2           HG2      GLU   2  51.143 -12.886 -41.726
   17    HG3  GLU   2           HG1      GLU   2  52.120 -13.688 -40.498
   18    H    GLU   3           HN       GLU   3  51.512 -16.931 -39.451
   19    HA   GLU   3           HA       GLU   3  48.775 -17.264 -39.620
   20    HB2  GLU   3           HB2      GLU   3  48.891 -16.933 -37.035
   21    HB3  GLU   3           HB1      GLU   3  49.765 -18.279 -37.766
   22    HG2  GLU   3           HG2      GLU   3  51.171 -15.651 -37.508
   23    HG3  GLU   3           HG1      GLU   3  50.971 -16.636 -36.060
   24    H    GLY   4           HN       GLY   4  50.517 -14.345 -39.464
   25    HA2  GLY   4           HA2      GLY   4  49.416 -12.265 -39.959
   26    HA3  GLY   4           HA1      GLY   4  48.000 -12.851 -39.091
   27    H    GLY   5           HN       GLY   5  51.443 -12.088 -38.553
   28    HA2  GLY   5           HA2      GLY   5  51.009 -11.617 -35.725
   29    HA3  GLY   5           HA1      GLY   5  52.524 -11.417 -36.602
   30    H    ASP   6           HN       ASP   6  51.050  -9.640 -34.675
   31    HA   ASP   6           HA       ASP   6  50.479  -7.420 -34.428
   32    HB2  ASP   6           HB2      ASP   6  52.904  -7.310 -35.050
   33    HB3  ASP   6           HB1      ASP   6  52.414  -7.065 -36.726
   34    H    PHE   7           HN       PHE   7  48.799  -8.976 -36.208
   35    HA   PHE   7           HA       PHE   7  47.455  -6.779 -37.530
   36    HB2  PHE   7           HB2      PHE   7  49.267  -7.820 -39.123
   37    HB3  PHE   7           HB1      PHE   7  48.085  -9.116 -39.298
   38    HD1  PHE   7           HD1      PHE   7  48.487  -5.410 -39.536
   39    HD2  PHE   7           HD2      PHE   7  46.204  -8.856 -40.703
   40    HE1  PHE   7           HE1      PHE   7  47.190  -4.013 -41.123
   41    HE2  PHE   7           HE2      PHE   7  44.907  -7.460 -42.290
   42    HZ   PHE   7           HZ       PHE   7  45.400  -5.038 -42.500
   43    H    ASP   8           HN       ASP   8  46.493  -8.092 -35.429
   44    HA   ASP   8           HA       ASP   8  44.425  -9.870 -36.577
   45    HB2  ASP   8           HB2      ASP   8  45.976 -10.169 -34.006
   46    HB3  ASP   8           HB1      ASP   8  44.430 -10.974 -34.268
   47    H    ASN   9           HN       ASN   9  44.169  -7.083 -36.313
   48    HA   ASN   9           HA       ASN   9  42.468  -5.654 -35.690
   49    HB2  ASN   9           HB2      ASN   9  41.311  -8.002 -35.197
   50    HB3  ASN   9           HB1      ASN   9  41.499  -7.455 -33.532
   51   HD21  ASN   9          HD21      ASN   9  40.412  -6.086 -36.699
   52   HD22  ASN   9          HD22      ASN   9  39.121  -5.209 -36.033
   53    H    TYR  10           HN       TYR  10  44.449  -7.346 -33.394
   54    HA   TYR  10           HA       TYR  10  44.249  -5.206 -31.415
   55    HB2  TYR  10           HB2      TYR  10  45.886  -7.757 -31.439
   56    HB3  TYR  10           HB1      TYR  10  45.781  -6.626 -30.090
   57    HD1  TYR  10           HD2      TYR  10  43.313  -6.006 -29.339
   58    HD2  TYR  10           HD1      TYR  10  44.396  -9.560 -31.497
   59    HE1  TYR  10           HE2      TYR  10  41.234  -7.113 -28.562
   60    HE2  TYR  10           HE1      TYR  10  42.318 -10.665 -30.720
   61    HH   TYR  10           HH       TYR  10  40.683 -10.501 -28.996
   62    H    TYR  11           HN       TYR  11  45.850  -5.747 -34.251
   63    HA   TYR  11           HA       TYR  11  47.894  -5.088 -35.138
   64    HB2  TYR  11           HB2      TYR  11  48.295  -2.611 -34.635
   65    HB3  TYR  11           HB1      TYR  11  46.742  -3.037 -35.354
   66    HD1  TYR  11           HD2      TYR  11  44.683  -3.049 -34.004
   67    HD2  TYR  11           HD1      TYR  11  48.456  -1.865 -32.328
   68    HE1  TYR  11           HE2      TYR  11  43.507  -2.053 -32.060
   69    HE2  TYR  11           HE1      TYR  11  47.282  -0.869 -30.385
   70    HH   TYR  11           HH       TYR  11  44.985   0.055 -29.903
   71    H    GLY  12           HN       GLY  12  48.313  -6.624 -32.834
   72    HA2  GLY  12           HA2      GLY  12  50.799  -6.773 -32.193
   73    HA3  GLY  12           HA1      GLY  12  50.492  -5.221 -31.420
   74    H    ALA  13           HN       ALA  13  48.556  -5.239 -29.880
   75    HA   ALA  13           HA       ALA  13  47.844  -7.735 -28.647
   76    HB1  ALA  13           HB1      ALA  13  48.917  -6.635 -26.400
   77    HB2  ALA  13           HB2      ALA  13  50.120  -6.172 -27.603
   78    HB3  ALA  13           HB3      ALA  13  49.715  -7.873 -27.371
   79    H    ASP  14           HN       ASP  14  48.026  -4.220 -28.475
   80    HA   ASP  14           HA       ASP  14  46.472  -2.646 -27.853
   81    HB2  ASP  14           HB2      ASP  14  45.001  -4.332 -29.201
   82    HB3  ASP  14           HB1      ASP  14  44.385  -4.789 -27.614
   83    H    ASN  15           HN       ASN  15  47.593  -5.031 -25.948
   84    HA   ASN  15           HA       ASN  15  47.519  -5.522 -23.695
   85    HB2  ASN  15           HB2      ASN  15  48.361  -3.056 -23.941
   86    HB3  ASN  15           HB1      ASN  15  46.802  -2.648 -23.226
   87   HD21  ASN  15          HD21      ASN  15  46.780  -2.633 -20.976
   88   HD22  ASN  15          HD22      ASN  15  47.882  -3.464 -19.988
   89    H    GLN  16           HN       GLN  16  45.727  -6.833 -23.475
   90    HA   GLN  16           HA       GLN  16  43.142  -5.528 -22.924
   91    HB2  GLN  16           HB2      GLN  16  43.876  -8.368 -23.650
   92    HB3  GLN  16           HB1      GLN  16  42.257  -7.891 -23.136
   93    HG2  GLN  16           HG2      GLN  16  41.790  -6.924 -25.127
   94    HG3  GLN  16           HG1      GLN  16  43.367  -6.139 -25.209
   95   HE21  GLN  16          HE21      GLN  16  45.217  -8.048 -25.457
   96   HE22  GLN  16          HE22      GLN  16  44.885  -9.122 -26.729
   97    H    SER  17           HN       SER  17  45.322  -8.033 -21.641
   98    HA   SER  17           HA       SER  17  44.247  -7.474 -18.945
   99    HB2  SER  17           HB2      SER  17  44.859 -10.036 -18.628
  100    HB3  SER  17           HB1      SER  17  43.284  -9.542 -19.241
  101    HG   SER  17           HG       SER  17  43.994 -10.988 -20.704
  102    H    GLU  18           HN       GLU  18  46.946  -8.405 -20.976
  103    HA   GLU  18           HA       GLU  18  49.206  -8.599 -20.549
  104    HB2  GLU  18           HB2      GLU  18  48.451  -6.074 -20.138
  105    HB3  GLU  18           HB1      GLU  18  48.989  -6.449 -18.500
  106    HG2  GLU  18           HG2      GLU  18  51.091  -7.448 -19.715
  107    HG3  GLU  18           HG1      GLU  18  50.576  -6.419 -21.051
  108    H    CYS  19           HN       CYS  19  50.437  -7.728 -17.993
  109    HA   CYS  19           HA       CYS  19  51.150  -8.686 -16.032
  110    HB2  CYS  19           HB2      CYS  19  48.300  -8.660 -15.944
  111    HB3  CYS  19           HB1      CYS  19  48.855 -10.176 -15.233
  112    HG   CYS  19           HG       CYS  19  48.840  -7.970 -13.552
  113    H    GLU  20           HN       GLU  20  50.733 -10.296 -18.722
  114    HA   GLU  20           HA       GLU  20  50.928 -13.016 -17.643
  115    HB2  GLU  20           HB2      GLU  20  50.343 -11.817 -20.296
  116    HB3  GLU  20           HB1      GLU  20  51.193 -13.362 -20.297
  117    HG2  GLU  20           HG2      GLU  20  49.451 -14.359 -18.901
  118    HG3  GLU  20           HG1      GLU  20  48.621 -12.809 -18.791
  119    H    TYR  21           HN       TYR  21  53.015 -10.660 -17.705
  120    HA   TYR  21           HA       TYR  21  55.202 -11.607 -19.258
  121    HB2  TYR  21           HB2      TYR  21  54.871  -9.635 -17.027
  122    HB3  TYR  21           HB1      TYR  21  56.493 -10.139 -17.501
  123    HD1  TYR  21           HD1      TYR  21  57.065 -10.042 -20.034
  124    HD2  TYR  21           HD2      TYR  21  53.753  -7.971 -18.250
  125    HE1  TYR  21           HE1      TYR  21  56.976  -8.510 -21.982
  126    HE2  TYR  21           HE2      TYR  21  53.662  -6.438 -20.199
  127    HH   TYR  21           HH       TYR  21  54.845  -6.991 -23.027
  128    H    THR  22           HN       THR  22  55.486 -11.250 -15.764
  129    HA   THR  22           HA       THR  22  55.798 -14.037 -15.210
  130    HB   THR  22           HB       THR  22  58.372 -12.498 -15.009
  131    HG1  THR  22           HG1      THR  22  58.572 -14.059 -17.048
  132   HG21  THR  22          HG21      THR  22  58.161 -15.416 -15.564
  133   HG22  THR  22          HG22      THR  22  57.655 -14.866 -13.966
  134   HG23  THR  22          HG23      THR  22  59.295 -14.546 -14.531
  135    H    ASP  23           HN       ASP  23  54.270 -12.027 -14.057
  136    HA   ASP  23           HA       ASP  23  55.454 -11.925 -11.362
  137    HB2  ASP  23           HB2      ASP  23  54.255  -9.623 -12.899
  138    HB3  ASP  23           HB1      ASP  23  54.380  -9.618 -11.141
  139    H    TRP  24           HN       TRP  24  53.098 -13.135 -13.169
  140    HA   TRP  24           HA       TRP  24  50.916 -12.629 -11.256
  141    HB2  TRP  24           HB2      TRP  24  49.444 -13.588 -12.944
  142    HB3  TRP  24           HB1      TRP  24  50.432 -12.321 -13.670
  143    HD1  TRP  24           HD1      TRP  24  52.736 -13.246 -14.943
  144    HE1  TRP  24           HE1      TRP  24  53.009 -15.353 -16.404
  145    HE3  TRP  24           HE3      TRP  24  48.660 -15.918 -13.414
  146    HZ2  TRP  24           HZ2      TRP  24  51.676 -17.841 -16.865
  147    HZ3  TRP  24           HZ3      TRP  24  48.186 -18.150 -14.379
  148    HH2  TRP  24           HH2      TRP  24  49.687 -19.113 -16.101
  149    H    LYS  25           HN       LYS  25  53.415 -14.680 -11.508
  150    HA   LYS  25           HA       LYS  25  51.978 -16.786 -10.069
  151    HB2  LYS  25           HB2      LYS  25  53.607 -18.373 -11.510
  152    HB3  LYS  25           HB1      LYS  25  51.951 -18.015 -11.987
  153    HG2  LYS  25           HG2      LYS  25  53.467 -17.695 -13.890
  154    HG3  LYS  25           HG1      LYS  25  52.766 -16.155 -13.412
  155    HD2  LYS  25           HD2      LYS  25  55.174 -15.902 -13.828
  156    HD3  LYS  25           HD1      LYS  25  54.827 -15.632 -12.123
  157    HE2  LYS  25           HE2      LYS  25  55.875 -17.574 -11.461
  158    HE3  LYS  25           HE1      LYS  25  55.475 -18.424 -12.952
  159    HZ1  LYS  25           HZ1      LYS  25  57.077 -16.758 -14.026
  160    HZ2  LYS  25           HZ2      LYS  25  57.736 -18.045 -13.134
  161    HZ3  LYS  25           HZ3      LYS  25  57.647 -16.493 -12.450
  162    H    SER  26           HN       SER  26  54.265 -14.601  -9.926
  163    HA   SER  26           HA       SER  26  56.024 -16.280  -8.252
  164    HB2  SER  26           HB2      SER  26  57.644 -15.974  -9.797
  165    HB3  SER  26           HB1      SER  26  56.739 -14.708 -10.620
  166    HG   SER  26           HG       SER  26  58.723 -14.523  -8.767
  167    H    SER  27           HN       SER  27  55.975 -12.833  -9.139
  168    HA   SER  27           HA       SER  27  56.166 -12.103  -6.329
  169    HB2  SER  27           HB2      SER  27  56.420  -9.812  -7.188
  170    HB3  SER  27           HB1      SER  27  57.534 -10.918  -7.987
  171    HG   SER  27           HG       SER  27  56.564 -10.507  -9.800
  172    H    GLY  28           HN       GLY  28  53.749 -13.390  -6.949
  173    HA2  GLY  28           HA2      GLY  28  51.868 -11.492  -5.931
  174    HA3  GLY  28           HA1      GLY  28  51.560 -11.851  -7.627
  175    H    ALA  29           HN       ALA  29  52.847 -14.088  -5.217
  176    HA   ALA  29           HA       ALA  29  50.292 -15.552  -5.207
  177    HB1  ALA  29           HB1      ALA  29  52.908 -16.490  -6.252
  178    HB2  ALA  29           HB2      ALA  29  51.272 -16.949  -6.726
  179    HB3  ALA  29           HB3      ALA  29  51.994 -17.633  -5.269
  180    H    LEU  30           HN       LEU  30  53.070 -14.406  -3.613
  181    HA   LEU  30           HA       LEU  30  52.195 -15.724  -1.127
  182    HB2  LEU  30           HB2      LEU  30  54.752 -15.766  -0.578
  183    HB3  LEU  30           HB1      LEU  30  54.056 -17.053  -1.562
  184    HG   LEU  30           HG       LEU  30  54.981 -14.646  -3.035
  185   HD11  LEU  30          HD11      LEU  30  56.834 -16.543  -1.581
  186   HD12  LEU  30          HD12      LEU  30  56.848 -14.780  -1.556
  187   HD13  LEU  30          HD13      LEU  30  57.341 -15.645  -3.011
  188   HD21  LEU  30          HD21      LEU  30  55.450 -16.233  -4.718
  189   HD22  LEU  30          HD22      LEU  30  54.019 -16.892  -3.925
  190   HD23  LEU  30          HD23      LEU  30  55.613 -17.550  -3.555
  191    H    ILE  31           HN       ILE  31  53.250 -12.957  -2.812
  192    HA   ILE  31           HA       ILE  31  54.121 -11.471  -0.499
  193    HB   ILE  31           HB       ILE  31  54.030 -11.064  -3.394
  194   HG12  ILE  31          HG12      ILE  31  56.062  -9.788  -2.881
  195   HG13  ILE  31          HG11      ILE  31  55.676  -9.843  -1.161
  196   HG21  ILE  31          HG21      ILE  31  53.404  -8.730  -1.554
  197   HG22  ILE  31          HG22      ILE  31  52.428  -9.300  -2.913
  198   HG23  ILE  31          HG23      ILE  31  53.999  -8.560  -3.204
  199   HD11  ILE  31          HD11      ILE  31  55.688 -12.472  -2.507
  200   HD12  ILE  31          HD12      ILE  31  56.365 -12.003  -0.948
  201   HD13  ILE  31          HD13      ILE  31  57.259 -11.675  -2.432
  202    HA   PRO  32           HA       PRO  32  49.800  -9.564  -0.842
  203    HB2  PRO  32           HB2      PRO  32  47.943 -10.664  -2.484
  204    HB3  PRO  32           HB1      PRO  32  49.160  -9.510  -3.061
  205    HG2  PRO  32           HG2      PRO  32  48.989 -12.422  -3.459
  206    HG3  PRO  32           HG1      PRO  32  49.755 -11.184  -4.464
  207    HD2  PRO  32           HD2      PRO  32  51.041 -12.942  -2.622
  208    HD3  PRO  32           HD1      PRO  32  51.782 -11.603  -3.520
  209    H    ALA  33           HN       ALA  33  50.694 -12.215   0.382
  210    HA   ALA  33           HA       ALA  33  48.070 -12.967   1.518
  211    HB1  ALA  33           HB1      ALA  33  49.602 -14.617  -0.093
  212    HB2  ALA  33           HB2      ALA  33  48.360 -15.148   1.040
  213    HB3  ALA  33           HB3      ALA  33  50.051 -15.114   1.539
  214    H    ILE  34           HN       ILE  34  50.826 -11.442   2.150
  215    HA   ILE  34           HA       ILE  34  50.746 -12.177   4.988
  216    HB   ILE  34           HB       ILE  34  53.465 -11.733   4.428
  217   HG12  ILE  34          HG12      ILE  34  52.262 -13.808   2.568
  218   HG13  ILE  34          HG11      ILE  34  52.886 -12.242   2.046
  219   HG21  ILE  34          HG21      ILE  34  51.958 -14.317   4.940
  220   HG22  ILE  34          HG22      ILE  34  52.495 -13.187   6.182
  221   HG23  ILE  34          HG23      ILE  34  53.682 -14.058   5.211
  222   HD11  ILE  34          HD11      ILE  34  54.853 -13.496   3.711
  223   HD12  ILE  34          HD12      ILE  34  54.975 -13.068   2.004
  224   HD13  ILE  34          HD13      ILE  34  54.348 -14.648   2.474
  225    H    TYR  35           HN       TYR  35  52.033 -10.014   2.488
  226    HA   TYR  35           HA       TYR  35  52.653  -7.903   4.336
  227    HB2  TYR  35           HB2      TYR  35  52.687  -8.264   1.380
  228    HB3  TYR  35           HB1      TYR  35  52.599  -6.613   1.996
  229    HD1  TYR  35           HD1      TYR  35  54.300  -9.654   3.370
  230    HD2  TYR  35           HD2      TYR  35  54.744  -5.684   1.788
  231    HE1  TYR  35           HE1      TYR  35  56.723  -9.718   3.890
  232    HE2  TYR  35           HE2      TYR  35  57.168  -5.749   2.309
  233    HH   TYR  35           HH       TYR  35  58.929  -7.460   2.650
  234    H    MET  36           HN       MET  36  49.813  -9.105   3.946
  235    HA   MET  36           HA       MET  36  48.439  -6.490   3.908
  236    HB2  MET  36           HB2      MET  36  47.251  -9.007   2.734
  237    HB3  MET  36           HB1      MET  36  46.642  -7.356   2.606
  238    HG2  MET  36           HG2      MET  36  49.238  -8.386   1.423
  239    HG3  MET  36           HG1      MET  36  47.769  -8.008   0.522
  240    HE1  MET  36           HE1      MET  36  50.860  -7.028   0.401
  241    HE2  MET  36           HE2      MET  36  50.744  -5.327  -0.043
  242    HE3  MET  36           HE3      MET  36  49.758  -6.519  -0.887
  243    H    LEU  37           HN       LEU  37  47.931  -9.954   4.622
  244    HA   LEU  37           HA       LEU  37  45.953  -9.446   6.620
  245    HB2  LEU  37           HB2      LEU  37  47.593 -11.896   5.950
  246    HB3  LEU  37           HB1      LEU  37  46.335 -11.875   7.187
  247    HG   LEU  37           HG       LEU  37  45.633 -10.801   4.493
  248   HD11  LEU  37          HD11      LEU  37  46.213 -13.687   5.129
  249   HD12  LEU  37          HD12      LEU  37  46.640 -12.765   3.688
  250   HD13  LEU  37          HD13      LEU  37  44.969 -13.267   3.952
  251   HD21  LEU  37          HD21      LEU  37  44.178 -10.998   6.662
  252   HD22  LEU  37          HD22      LEU  37  44.054 -12.700   6.216
  253   HD23  LEU  37          HD23      LEU  37  43.465 -11.453   5.115
  254    H    VAL  38           HN       VAL  38  48.947  -8.449   6.730
  255    HA   VAL  38           HA       VAL  38  49.158  -8.822   9.636
  256    HB   VAL  38           HB       VAL  38  51.565  -9.124   7.837
  257   HG11  VAL  38          HG11      VAL  38  51.187 -10.097  10.666
  258   HG12  VAL  38          HG12      VAL  38  51.674  -8.433  10.339
  259   HG13  VAL  38          HG13      VAL  38  52.692  -9.772   9.806
  260   HG21  VAL  38          HG21      VAL  38  51.367 -11.573   8.384
  261   HG22  VAL  38          HG22      VAL  38  50.082 -10.979   7.331
  262   HG23  VAL  38          HG23      VAL  38  49.765 -11.246   9.045
  263    H    PHE  39           HN       PHE  39  50.824  -7.304   6.859
  264    HA   PHE  39           HA       PHE  39  52.044  -5.182   8.037
  265    HB2  PHE  39           HB2      PHE  39  51.546  -5.857   5.464
  266    HB3  PHE  39           HB1      PHE  39  50.488  -4.456   5.626
  267    HD1  PHE  39           HD2      PHE  39  51.473  -2.285   6.547
  268    HD2  PHE  39           HD1      PHE  39  53.891  -5.594   5.258
  269    HE1  PHE  39           HE2      PHE  39  53.436  -0.780   6.364
  270    HE2  PHE  39           HE1      PHE  39  55.853  -4.089   5.075
  271    HZ   PHE  39           HZ       PHE  39  55.625  -1.681   5.627
  272    H    LEU  40           HN       LEU  40  48.656  -5.170   6.916
  273    HA   LEU  40           HA       LEU  40  48.159  -2.820   8.633
  274    HB2  LEU  40           HB2      LEU  40  46.693  -3.937   6.238
  275    HB3  LEU  40           HB1      LEU  40  46.022  -2.672   7.269
  276    HG   LEU  40           HG       LEU  40  48.807  -2.259   6.310
  277   HD11  LEU  40          HD11      LEU  40  47.924  -1.331   4.147
  278   HD12  LEU  40          HD12      LEU  40  46.371  -2.082   4.514
  279   HD13  LEU  40          HD13      LEU  40  47.799  -3.086   4.265
  280   HD21  LEU  40          HD21      LEU  40  48.084   0.047   6.270
  281   HD22  LEU  40          HD22      LEU  40  47.466  -0.671   7.757
  282   HD23  LEU  40          HD23      LEU  40  46.390  -0.429   6.381
  283    H    LEU  41           HN       LEU  41  48.422  -5.233   9.953
  284    HA   LEU  41           HA       LEU  41  45.855  -5.437  11.237
  285    HB2  LEU  41           HB2      LEU  41  45.503  -6.946   9.313
  286    HB3  LEU  41           HB1      LEU  41  46.941  -7.856   9.768
  287    HG   LEU  41           HG       LEU  41  45.892  -8.427  11.938
  288   HD11  LEU  41          HD11      LEU  41  44.391  -6.755  12.514
  289   HD12  LEU  41          HD12      LEU  41  43.276  -7.955  11.861
  290   HD13  LEU  41          HD13      LEU  41  43.783  -6.588  10.867
  291   HD21  LEU  41          HD21      LEU  41  45.527 -10.098  10.332
  292   HD22  LEU  41          HD22      LEU  41  44.480  -9.066   9.358
  293   HD23  LEU  41          HD23      LEU  41  43.891  -9.731  10.882
  294    H    GLY  42           HN       GLY  42  48.890  -7.263  10.774
  295    HA2  GLY  42           HA2      GLY  42  49.039  -8.064  13.522
  296    HA3  GLY  42           HA1      GLY  42  50.307  -8.245  12.313
  297    H    THR  43           HN       THR  43  48.970  -5.098  12.723
  298    HA   THR  43           HA       THR  43  50.679  -4.164  14.801
  299    HB   THR  43           HB       THR  43  52.576  -4.190  13.516
  300    HG1  THR  43           HG1      THR  43  52.860  -2.152  12.620
  301   HG21  THR  43          HG21      THR  43  50.648  -4.115  11.218
  302   HG22  THR  43          HG22      THR  43  51.914  -5.291  11.572
  303   HG23  THR  43          HG23      THR  43  52.340  -3.699  10.945
  304    H    THR  44           HN       THR  44  50.106  -2.473  11.758
  305    HA   THR  44           HA       THR  44  48.958  -0.525  11.321
  306    HB   THR  44           HB       THR  44  46.690  -0.786  11.463
  307    HG1  THR  44           HG1      THR  44  47.307  -1.209  14.098
  308   HG21  THR  44          HG21      THR  44  47.889  -3.053  10.953
  309   HG22  THR  44          HG22      THR  44  46.154  -3.053  11.264
  310   HG23  THR  44          HG23      THR  44  47.277  -3.532  12.537
  311    H    GLY  45           HN       GLY  45  50.434  -0.971  14.083
  312    HA2  GLY  45           HA2      GLY  45  51.111   0.527  15.712
  313    HA3  GLY  45           HA1      GLY  45  50.044   1.729  14.991
  314    H    ASN  46           HN       ASN  46  48.351  -1.105  15.512
  315    HA   ASN  46           HA       ASN  46  47.114   0.024  17.934
  316    HB2  ASN  46           HB2      ASN  46  45.129  -0.839  17.225
  317    HB3  ASN  46           HB1      ASN  46  45.923  -0.791  15.652
  318   HD21  ASN  46          HD21      ASN  46  47.636  -2.971  15.733
  319   HD22  ASN  46          HD22      ASN  46  46.754  -4.403  15.961
  320    H    GLY  47           HN       GLY  47  49.442  -2.155  17.170
  321    HA2  GLY  47           HA2      GLY  47  48.664  -4.151  19.184
  322    HA3  GLY  47           HA1      GLY  47  49.987  -4.306  18.032
  323    H    LEU  48           HN       LEU  48  51.279  -1.866  18.423
  324    HA   LEU  48           HA       LEU  48  52.442  -2.314  21.084
  325    HB2  LEU  48           HB2      LEU  48  53.744  -0.372  19.298
  326    HB3  LEU  48           HB1      LEU  48  54.438  -1.719  20.198
  327    HG   LEU  48           HG       LEU  48  52.907  -1.907  17.584
  328   HD11  LEU  48          HD11      LEU  48  54.923  -1.710  16.611
  329   HD12  LEU  48          HD12      LEU  48  55.519  -3.077  17.553
  330   HD13  LEU  48          HD13      LEU  48  55.655  -1.440  18.193
  331   HD21  LEU  48          HD21      LEU  48  53.495  -3.866  19.676
  332   HD22  LEU  48          HD22      LEU  48  54.168  -4.337  18.116
  333   HD23  LEU  48          HD23      LEU  48  52.442  -4.016  18.270
  334    H    VAL  49           HN       VAL  49  49.899  -0.876  20.644
  335    HA   VAL  49           HA       VAL  49  50.643   1.598  22.045
  336    HB   VAL  49           HB       VAL  49  48.662   1.544  19.758
  337   HG11  VAL  49          HG11      VAL  49  48.875   4.036  20.024
  338   HG12  VAL  49          HG12      VAL  49  49.832   3.751  21.478
  339   HG13  VAL  49          HG13      VAL  49  48.145   3.238  21.417
  340   HG21  VAL  49          HG21      VAL  49  51.518   2.568  19.893
  341   HG22  VAL  49          HG22      VAL  49  50.401   2.889  18.565
  342   HG23  VAL  49          HG23      VAL  49  50.930   1.238  18.894
  343    H    LEU  50           HN       LEU  50  47.961  -0.459  20.922
  344    HA   LEU  50           HA       LEU  50  46.388   0.324  23.276
  345    HB2  LEU  50           HB2      LEU  50  45.390   0.293  20.941
  346    HB3  LEU  50           HB1      LEU  50  45.524  -1.465  21.001
  347    HG   LEU  50           HG       LEU  50  44.342  -0.925  23.416
  348   HD11  LEU  50          HD11      LEU  50  42.692   0.762  23.171
  349   HD12  LEU  50          HD12      LEU  50  42.952   0.878  21.430
  350   HD13  LEU  50          HD13      LEU  50  44.168   1.498  22.547
  351   HD21  LEU  50          HD21      LEU  50  42.186  -1.542  22.141
  352   HD22  LEU  50          HD22      LEU  50  43.533  -2.675  22.025
  353   HD23  LEU  50          HD23      LEU  50  43.194  -1.568  20.694
  354    H    TRP  51           HN       TRP  51  46.889  -2.754  21.538
  355    HA   TRP  51           HA       TRP  51  46.203  -4.517  23.509
  356    HB2  TRP  51           HB2      TRP  51  46.773  -5.377  21.360
  357    HB3  TRP  51           HB1      TRP  51  48.403  -4.711  21.449
  358    HD1  TRP  51           HD1      TRP  51  50.222  -6.102  22.645
  359    HE1  TRP  51           HE1      TRP  51  50.258  -8.417  23.782
  360    HE3  TRP  51           HE3      TRP  51  45.212  -7.079  22.818
  361    HZ2  TRP  51           HZ2      TRP  51  48.407 -10.417  24.649
  362    HZ3  TRP  51           HZ3      TRP  51  44.377  -9.194  23.804
  363    HH2  TRP  51           HH2      TRP  51  45.967 -10.862  24.719
  364    H    THR  52           HN       THR  52  48.933  -2.414  23.460
  365    HA   THR  52           HA       THR  52  50.432  -3.886  25.461
  366    HB   THR  52           HB       THR  52  51.509  -2.471  23.679
  367    HG1  THR  52           HG1      THR  52  52.011  -2.573  26.326
  368   HG21  THR  52          HG21      THR  52  49.654  -0.606  24.356
  369   HG22  THR  52          HG22      THR  52  51.172  -0.219  23.546
  370   HG23  THR  52          HG23      THR  52  51.034  -0.036  25.295
  371    H    VAL  53           HN       VAL  53  47.653  -2.932  26.008
  372    HA   VAL  53           HA       VAL  53  48.213  -1.179  28.326
  373    HB   VAL  53           HB       VAL  53  45.643  -1.568  26.775
  374   HG11  VAL  53          HG11      VAL  53  45.421   0.675  28.398
  375   HG12  VAL  53          HG12      VAL  53  46.234  -0.498  29.434
  376   HG13  VAL  53          HG13      VAL  53  44.677  -0.894  28.706
  377   HG21  VAL  53          HG21      VAL  53  46.179   0.315  25.616
  378   HG22  VAL  53          HG22      VAL  53  47.834  -0.047  26.104
  379   HG23  VAL  53          HG23      VAL  53  46.872   1.100  27.035
  380    H    PHE  54           HN       PHE  54  45.918  -3.714  27.289
  381    HA   PHE  54           HA       PHE  54  45.380  -4.488  30.016
  382    HB2  PHE  54           HB2      PHE  54  44.361  -5.164  27.339
  383    HB3  PHE  54           HB1      PHE  54  44.365  -6.509  28.481
  384    HD1  PHE  54           HD1      PHE  54  43.071  -6.402  30.569
  385    HD2  PHE  54           HD2      PHE  54  42.979  -3.197  27.711
  386    HE1  PHE  54           HE1      PHE  54  41.068  -5.461  31.688
  387    HE2  PHE  54           HE2      PHE  54  40.977  -2.255  28.832
  388    HZ   PHE  54           HZ       PHE  54  40.021  -3.387  30.821
  389    H    ARG  55           HN       ARG  55  47.974  -4.989  28.061
  390    HA   ARG  55           HA       ARG  55  48.456  -7.747  28.961
  391    HB2  ARG  55           HB2      ARG  55  48.796  -7.151  26.545
  392    HB3  ARG  55           HB1      ARG  55  50.089  -6.065  27.046
  393    HG2  ARG  55           HG2      ARG  55  51.066  -8.196  26.383
  394    HG3  ARG  55           HG1      ARG  55  51.251  -7.996  28.123
  395    HD2  ARG  55           HD2      ARG  55  48.769  -9.362  27.222
  396    HD3  ARG  55           HD1      ARG  55  50.271 -10.251  26.997
  397    HE   ARG  55           HE       ARG  55  49.031  -9.551  29.534
  398   HH11  ARG  55          HH21      ARG  55  51.858 -10.569  27.816
  399   HH12  ARG  55          HH22      ARG  55  52.610 -11.285  29.203
  400   HH21  ARG  55          HH11      ARG  55  50.012 -10.488  31.356
  401   HH22  ARG  55          HH12      ARG  55  51.565 -11.239  31.206
  402    H    LYS  56           HN       LYS  56  49.835  -4.487  29.078
  403    HA   LYS  56           HA       LYS  56  52.007  -5.341  30.813
  404    HB2  LYS  56           HB2      LYS  56  51.286  -2.476  30.268
  405    HB3  LYS  56           HB1      LYS  56  52.875  -3.188  30.555
  406    HG2  LYS  56           HG2      LYS  56  51.153  -3.558  28.086
  407    HG3  LYS  56           HG1      LYS  56  52.665  -2.656  28.186
  408    HD2  LYS  56           HD2      LYS  56  53.766  -4.822  28.949
  409    HD3  LYS  56           HD1      LYS  56  52.273  -5.641  28.490
  410    HE2  LYS  56           HE2      LYS  56  52.606  -4.339  26.222
  411    HE3  LYS  56           HE1      LYS  56  54.287  -4.260  26.747
  412    HZ1  LYS  56           HZ1      LYS  56  53.739  -6.813  27.231
  413    HZ2  LYS  56           HZ2      LYS  56  54.378  -6.260  25.757
  414    HZ3  LYS  56           HZ3      LYS  56  52.711  -6.549  25.909
  415    H    LYS  57           HN       LYS  57  49.088  -3.323  31.051
  416    HA   LYS  57           HA       LYS  57  49.442  -3.063  33.940
  417    HB2  LYS  57           HB2      LYS  57  47.020  -2.087  32.475
  418    HB3  LYS  57           HB1      LYS  57  47.842  -1.381  33.863
  419    HG2  LYS  57           HG2      LYS  57  48.866  -1.435  31.006
  420    HG3  LYS  57           HG1      LYS  57  48.270  -0.022  31.870
  421    HD2  LYS  57           HD2      LYS  57  50.733  -1.645  32.593
  422    HD3  LYS  57           HD1      LYS  57  50.716  -0.032  31.887
  423    HE2  LYS  57           HE2      LYS  57  49.207   0.525  33.989
  424    HE3  LYS  57           HE1      LYS  57  50.018  -0.884  34.671
  425    HZ1  LYS  57           HZ1      LYS  57  51.329   1.525  33.535
  426    HZ2  LYS  57           HZ2      LYS  57  52.149   0.143  34.087
  427    HZ3  LYS  57           HZ3      LYS  57  51.259   1.097  35.174
  428    H    GLY  58           HN       GLY  58  48.312  -5.412  31.979
  429    HA2  GLY  58           HA2      GLY  58  46.456  -6.395  34.049
  430    HA3  GLY  58           HA1      GLY  58  45.958  -6.410  32.359
  431    H    HIS  59           HN       HIS  59  48.392  -7.641  34.615
  432    HA   HIS  59           HA       HIS  59  49.721  -9.425  32.932
  433    HB2  HIS  59           HB2      HIS  59  49.677  -8.846  35.691
  434    HB3  HIS  59           HB1      HIS  59  49.379 -10.578  35.550
  435    HD2  HIS  59           HD2      HIS  59  51.932  -8.277  33.509
  436    HE1  HIS  59           HE1      HIS  59  53.965 -11.673  34.979
  437    HE2  HIS  59           HE2      HIS  59  54.207  -9.555  33.600
  438    H    HIS  60           HN       HIS  60  46.507  -9.515  34.124
  439    HA   HIS  60           HA       HIS  60  46.235 -12.393  33.604
  440    HB2  HIS  60           HB2      HIS  60  44.123 -10.476  34.604
  441    HB3  HIS  60           HB1      HIS  60  44.098 -12.239  34.677
  442    HD2  HIS  60           HD2      HIS  60  45.152  -9.334  36.899
  443    HE1  HIS  60           HE1      HIS  60  47.235 -12.700  38.364
  444    HE2  HIS  60           HE2      HIS  60  46.589 -10.295  38.856
  445    H    HIS  61           HN       HIS  61  45.349  -9.262  32.328
  446    HA   HIS  61           HA       HIS  61  44.348  -8.626  30.362
  447    HB2  HIS  61           HB2      HIS  61  46.122 -10.222  29.488
  448    HB3  HIS  61           HB1      HIS  61  44.857 -11.448  29.415
  449    HD2  HIS  61           HD2      HIS  61  45.887  -8.152  27.548
  450    HE1  HIS  61           HE1      HIS  61  42.582  -9.824  25.521
  451    HE2  HIS  61           HE2      HIS  61  44.359  -8.012  25.435
  452    H    HIS  62           HN       HIS  62  42.453  -8.890  32.045
  453    HA   HIS  62           HA       HIS  62  40.563 -10.989  31.393
  454    HB2  HIS  62           HB2      HIS  62  40.922  -9.838  33.691
  455    HB3  HIS  62           HB1      HIS  62  39.925  -8.545  33.024
  456    HD2  HIS  62           HD2      HIS  62  39.534 -12.293  34.147
  457    HE1  HIS  62           HE1      HIS  62  35.700 -10.787  33.225
  458    HE2  HIS  62           HE2      HIS  62  36.966 -12.761  34.199
  459    H    HIS  63           HN       HIS  63  40.887 -10.007  29.036
  460    HA   HIS  63           HA       HIS  63  38.391  -8.653  28.444
  461    HB2  HIS  63           HB2      HIS  63  39.833  -6.731  28.857
  462    HB3  HIS  63           HB1      HIS  63  41.048  -7.376  27.753
  463    HD2  HIS  63           HD2      HIS  63  37.293  -7.542  26.647
  464    HE1  HIS  63           HE1      HIS  63  39.192  -4.561  24.340
  465    HE2  HIS  63           HE2      HIS  63  37.055  -5.901  24.630
  466    H    HIS  64           HN       HIS  64  38.204 -10.849  27.528
  467    HA   HIS  64           HA       HIS  64  39.847 -11.549  25.259
  468    HB2  HIS  64           HB2      HIS  64  38.540 -13.526  25.130
  469    HB3  HIS  64           HB1      HIS  64  38.693 -13.182  26.852
  470    HD2  HIS  64           HD2      HIS  64  36.287 -11.273  27.549
  471    HE1  HIS  64           HE1      HIS  64  33.797 -13.725  25.180
  472    HE2  HIS  64           HE2      HIS  64  33.825 -11.928  26.975
  Start of MODEL   32
    1    H1   MET   1           HT1      MET   1 104.996 -16.165 -21.976
    2    H2   MET   1           HT2      MET   1 103.770 -17.334 -21.853
    3    H3   MET   1           HT3      MET   1 105.235 -17.546 -21.021
    4    HA   MET   1           HA       MET   1 104.716 -16.083 -19.383
    5    HB2  MET   1           HB2      MET   1 102.865 -14.761 -21.393
    6    HB3  MET   1           HB1      MET   1 103.119 -14.209 -19.737
    7    HG2  MET   1           HG2      MET   1 105.063 -13.198 -20.279
    8    HG3  MET   1           HG1      MET   1 105.642 -14.628 -21.135
    9    HE1  MET   1           HE1      MET   1 103.068 -12.089 -20.975
   10    HE2  MET   1           HE2      MET   1 102.555 -11.709 -22.617
   11    HE3  MET   1           HE3      MET   1 103.955 -10.892 -21.927
   12    H    GLU   2           HN       GLU   2 102.659 -17.958 -21.340
   13    HA   GLU   2           HA       GLU   2 100.784 -19.217 -20.915
   14    HB2  GLU   2           HB2      GLU   2 101.633 -18.869 -18.029
   15    HB3  GLU   2           HB1      GLU   2 100.574 -20.127 -18.669
   16    HG2  GLU   2           HG2      GLU   2 102.711 -20.455 -20.299
   17    HG3  GLU   2           HG1      GLU   2 103.525 -19.864 -18.851
   18    H    GLU   3           HN       GLU   3  99.010 -18.076 -21.465
   19    HA   GLU   3           HA       GLU   3  98.014 -16.009 -19.625
   20    HB2  GLU   3           HB2      GLU   3  97.375 -16.681 -22.499
   21    HB3  GLU   3           HB1      GLU   3  96.431 -15.527 -21.556
   22    HG2  GLU   3           HG2      GLU   3  98.029 -13.933 -21.706
   23    HG3  GLU   3           HG1      GLU   3  99.319 -15.078 -21.348
   24    H    GLY   4           HN       GLY   4  95.852 -17.621 -21.787
   25    HA2  GLY   4           HA2      GLY   4  94.730 -19.747 -20.791
   26    HA3  GLY   4           HA1      GLY   4  94.337 -18.641 -19.478
   27    H    GLY   5           HN       GLY   5  92.724 -17.128 -19.742
   28    HA2  GLY   5           HA2      GLY   5  90.848 -16.137 -20.636
   29    HA3  GLY   5           HA1      GLY   5  91.580 -16.374 -22.220
   30    H    ASP   6           HN       ASP   6  90.589 -18.757 -19.774
   31    HA   ASP   6           HA       ASP   6  88.501 -19.735 -21.604
   32    HB2  ASP   6           HB2      ASP   6  90.748 -21.374 -20.422
   33    HB3  ASP   6           HB1      ASP   6  89.272 -22.088 -21.068
   34    H    PHE   7           HN       PHE   7  88.524 -18.240 -19.046
   35    HA   PHE   7           HA       PHE   7  86.790 -20.083 -17.544
   36    HB2  PHE   7           HB2      PHE   7  88.579 -18.243 -16.009
   37    HB3  PHE   7           HB1      PHE   7  87.861 -19.778 -15.519
   38    HD1  PHE   7           HD2      PHE   7  88.714 -21.925 -16.623
   39    HD2  PHE   7           HD1      PHE   7  90.762 -18.160 -16.915
   40    HE1  PHE   7           HE2      PHE   7  90.793 -23.106 -17.275
   41    HE2  PHE   7           HE1      PHE   7  92.842 -19.342 -17.566
   42    HZ   PHE   7           HZ       PHE   7  92.858 -21.816 -17.747
   43    H    ASP   8           HN       ASP   8  85.832 -18.207 -19.272
   44    HA   ASP   8           HA       ASP   8  84.840 -16.064 -17.482
   45    HB2  ASP   8           HB2      ASP   8  84.759 -14.565 -19.308
   46    HB3  ASP   8           HB1      ASP   8  86.323 -15.367 -19.450
   47    H    ASN   9           HN       ASN   9  83.641 -18.596 -17.572
   48    HA   ASN   9           HA       ASN   9  81.034 -17.881 -18.732
   49    HB2  ASN   9           HB2      ASN   9  81.888 -19.359 -20.388
   50    HB3  ASN   9           HB1      ASN   9  82.538 -20.460 -19.174
   51   HD21  ASN   9          HD21      ASN   9  79.680 -19.614 -20.988
   52   HD22  ASN   9          HD22      ASN   9  78.664 -20.795 -20.314
   53    H    TYR  10           HN       TYR  10  82.728 -20.356 -16.793
   54    HA   TYR  10           HA       TYR  10  80.353 -20.568 -15.070
   55    HB2  TYR  10           HB2      TYR  10  81.899 -22.530 -16.136
   56    HB3  TYR  10           HB1      TYR  10  82.677 -22.321 -14.567
   57    HD1  TYR  10           HD2      TYR  10  79.417 -22.978 -16.237
   58    HD2  TYR  10           HD1      TYR  10  81.629 -23.051 -12.555
   59    HE1  TYR  10           HE2      TYR  10  77.570 -24.230 -15.153
   60    HE2  TYR  10           HE1      TYR  10  79.782 -24.302 -11.471
   61    HH   TYR  10           HH       TYR  10  76.754 -24.970 -13.199
   62    H    TYR  11           HN       TYR  11  83.696 -19.555 -15.093
   63    HA   TYR  11           HA       TYR  11  83.689 -19.131 -12.191
   64    HB2  TYR  11           HB2      TYR  11  85.819 -18.983 -14.320
   65    HB3  TYR  11           HB1      TYR  11  86.084 -18.349 -12.695
   66    HD1  TYR  11           HD2      TYR  11  85.630 -19.927 -10.705
   67    HD2  TYR  11           HD1      TYR  11  86.060 -21.285 -14.758
   68    HE1  TYR  11           HE2      TYR  11  86.105 -22.220  -9.887
   69    HE2  TYR  11           HE1      TYR  11  86.535 -23.578 -13.939
   70    HH   TYR  11           HH       TYR  11  87.460 -24.597 -11.765
   71    H    GLY  12           HN       GLY  12  81.817 -17.538 -13.039
   72    HA2  GLY  12           HA2      GLY  12  82.853 -14.894 -12.586
   73    HA3  GLY  12           HA1      GLY  12  82.267 -15.115 -14.232
   74    H    ALA  13           HN       ALA  13  80.147 -16.925 -13.617
   75    HA   ALA  13           HA       ALA  13  78.403 -15.957 -11.615
   76    HB1  ALA  13           HB1      ALA  13  76.761 -14.829 -13.198
   77    HB2  ALA  13           HB2      ALA  13  78.080 -14.758 -14.368
   78    HB3  ALA  13           HB3      ALA  13  78.223 -13.913 -12.827
   79    H    ASP  14           HN       ASP  14  77.112 -16.364 -14.816
   80    HA   ASP  14           HA       ASP  14  75.832 -18.021 -15.761
   81    HB2  ASP  14           HB2      ASP  14  78.206 -19.182 -15.144
   82    HB3  ASP  14           HB1      ASP  14  77.102 -20.193 -14.212
   83    H    ASN  15           HN       ASN  15  75.613 -17.136 -12.669
   84    HA   ASN  15           HA       ASN  15  73.057 -18.388 -12.292
   85    HB2  ASN  15           HB2      ASN  15  74.808 -20.136 -11.567
   86    HB3  ASN  15           HB1      ASN  15  75.112 -19.067 -10.199
   87   HD21  ASN  15          HD21      ASN  15  73.411 -18.821  -8.594
   88   HD22  ASN  15          HD22      ASN  15  72.064 -19.854  -8.562
   89    H    GLN  16           HN       GLN  16  73.648 -15.753 -12.489
   90    HA   GLN  16           HA       GLN  16  74.231 -14.442 -10.043
   91    HB2  GLN  16           HB2      GLN  16  73.041 -12.487 -11.201
   92    HB3  GLN  16           HB1      GLN  16  74.463 -13.146 -12.009
   93    HG2  GLN  16           HG2      GLN  16  71.956 -14.503 -12.731
   94    HG3  GLN  16           HG1      GLN  16  72.001 -12.804 -13.194
   95   HE21  GLN  16          HE21      GLN  16  73.389 -15.968 -13.830
   96   HE22  GLN  16          HE22      GLN  16  74.354 -15.486 -15.140
   97    H    SER  17           HN       SER  17  71.282 -15.712 -11.449
   98    HA   SER  17           HA       SER  17  69.909 -15.858  -9.006
   99    HB2  SER  17           HB2      SER  17  69.499 -13.345 -10.578
  100    HB3  SER  17           HB1      SER  17  68.130 -14.059  -9.730
  101    HG   SER  17           HG       SER  17  69.285 -13.919  -7.819
  102    H    GLU  18           HN       GLU  18  69.901 -17.875 -10.418
  103    HA   GLU  18           HA       GLU  18  67.754 -17.824 -12.428
  104    HB2  GLU  18           HB2      GLU  18  69.881 -18.867 -13.096
  105    HB3  GLU  18           HB1      GLU  18  69.749 -19.998 -11.750
  106    HG2  GLU  18           HG2      GLU  18  68.336 -21.321 -12.900
  107    HG3  GLU  18           HG1      GLU  18  67.304 -19.954 -13.314
  108    H    CYS  19           HN       CYS  19  66.499 -17.446 -10.214
  109    HA   CYS  19           HA       CYS  19  64.722 -18.302  -9.009
  110    HB2  CYS  19           HB2      CYS  19  64.833 -20.059 -11.021
  111    HB3  CYS  19           HB1      CYS  19  65.351 -21.125  -9.715
  112    HG   CYS  19           HG       CYS  19  62.945 -19.692  -8.728
  113    H    GLU  20           HN       GLU  20  67.957 -19.238  -8.742
  114    HA   GLU  20           HA       GLU  20  67.553 -20.562  -6.148
  115    HB2  GLU  20           HB2      GLU  20  70.118 -20.184  -7.709
  116    HB3  GLU  20           HB1      GLU  20  69.875 -21.228  -6.307
  117    HG2  GLU  20           HG2      GLU  20  67.862 -21.964  -8.121
  118    HG3  GLU  20           HG1      GLU  20  69.311 -21.760  -9.104
  119    H    TYR  21           HN       TYR  21  66.837 -17.979  -5.974
  120    HA   TYR  21           HA       TYR  21  69.065 -16.776  -4.453
  121    HB2  TYR  21           HB2      TYR  21  68.746 -14.664  -5.382
  122    HB3  TYR  21           HB1      TYR  21  68.529 -15.716  -6.781
  123    HD1  TYR  21           HD1      TYR  21  66.082 -16.558  -7.219
  124    HD2  TYR  21           HD2      TYR  21  67.066 -13.124  -4.833
  125    HE1  TYR  21           HE1      TYR  21  63.780 -15.686  -7.524
  126    HE2  TYR  21           HE2      TYR  21  64.766 -12.252  -5.139
  127    HH   TYR  21           HH       TYR  21  62.460 -13.293  -5.653
  128    H    THR  22           HN       THR  22  65.627 -17.266  -4.890
  129    HA   THR  22           HA       THR  22  65.133 -16.997  -2.086
  130    HB   THR  22           HB       THR  22  63.980 -14.874  -3.906
  131    HG1  THR  22           HG1      THR  22  65.585 -13.718  -3.249
  132   HG21  THR  22          HG21      THR  22  63.161 -13.987  -1.655
  133   HG22  THR  22          HG22      THR  22  63.564 -15.572  -0.995
  134   HG23  THR  22          HG23      THR  22  62.345 -15.428  -2.261
  135    H    ASP  23           HN       ASP  23  63.907 -17.227  -5.358
  136    HA   ASP  23           HA       ASP  23  61.318 -18.217  -4.575
  137    HB2  ASP  23           HB2      ASP  23  61.975 -16.992  -6.746
  138    HB3  ASP  23           HB1      ASP  23  62.576 -18.558  -7.285
  139    H    TRP  24           HN       TRP  24  64.210 -19.559  -4.152
  140    HA   TRP  24           HA       TRP  24  63.950 -22.145  -5.316
  141    HB2  TRP  24           HB2      TRP  24  65.852 -22.736  -4.053
  142    HB3  TRP  24           HB1      TRP  24  66.068 -21.017  -4.384
  143    HD1  TRP  24           HD1      TRP  24  65.871 -19.332  -2.382
  144    HE1  TRP  24           HE1      TRP  24  65.816 -19.648   0.177
  145    HE3  TRP  24           HE3      TRP  24  65.024 -24.362  -2.128
  146    HZ2  TRP  24           HZ2      TRP  24  65.461 -21.753   2.079
  147    HZ3  TRP  24           HZ3      TRP  24  64.832 -25.496   0.067
  148    HH2  TRP  24           HH2      TRP  24  65.049 -24.198   2.169
  149    H    LYS  25           HN       LYS  25  62.340 -20.628  -2.757
  150    HA   LYS  25           HA       LYS  25  61.276 -23.226  -1.861
  151    HB2  LYS  25           HB2      LYS  25  61.116 -22.111   0.466
  152    HB3  LYS  25           HB1      LYS  25  62.682 -22.728  -0.052
  153    HG2  LYS  25           HG2      LYS  25  62.963 -20.501   0.910
  154    HG3  LYS  25           HG1      LYS  25  63.303 -20.436  -0.817
  155    HD2  LYS  25           HD2      LYS  25  61.313 -19.309  -1.299
  156    HD3  LYS  25           HD1      LYS  25  60.519 -19.872   0.172
  157    HE2  LYS  25           HE2      LYS  25  62.898 -18.006   0.219
  158    HE3  LYS  25           HE1      LYS  25  61.234 -17.424   0.172
  159    HZ1  LYS  25           HZ1      LYS  25  61.351 -17.591   2.382
  160    HZ2  LYS  25           HZ2      LYS  25  62.708 -18.611   2.345
  161    HZ3  LYS  25           HZ3      LYS  25  61.151 -19.258   2.140
  162    H    SER  26           HN       SER  26  60.645 -20.376  -3.301
  163    HA   SER  26           HA       SER  26  58.805 -18.975  -3.477
  164    HB2  SER  26           HB2      SER  26  57.801 -20.520  -4.832
  165    HB3  SER  26           HB1      SER  26  57.916 -21.805  -3.633
  166    HG   SER  26           HG       SER  26  55.765 -20.740  -4.148
  167    H    SER  27           HN       SER  27  58.796 -17.755  -1.594
  168    HA   SER  27           HA       SER  27  56.573 -18.197   0.169
  169    HB2  SER  27           HB2      SER  27  58.366 -19.716   1.111
  170    HB3  SER  27           HB1      SER  27  59.315 -18.269   1.438
  171    HG   SER  27           HG       SER  27  56.672 -18.770   2.359
  172    H    GLY  28           HN       GLY  28  59.583 -16.474  -0.495
  173    HA2  GLY  28           HA2      GLY  28  58.934 -14.148   1.035
  174    HA3  GLY  28           HA1      GLY  28  60.193 -14.269  -0.191
  175    H    ALA  29           HN       ALA  29  57.157 -15.295  -1.295
  176    HA   ALA  29           HA       ALA  29  56.525 -12.639  -2.418
  177    HB1  ALA  29           HB1      ALA  29  57.491 -13.567  -4.305
  178    HB2  ALA  29           HB2      ALA  29  55.819 -14.092  -4.503
  179    HB3  ALA  29           HB3      ALA  29  57.024 -15.210  -3.865
  180    H    LEU  30           HN       LEU  30  55.528 -15.378  -0.770
  181    HA   LEU  30           HA       LEU  30  52.683 -14.893  -1.425
  182    HB2  LEU  30           HB2      LEU  30  53.848 -17.363  -0.130
  183    HB3  LEU  30           HB1      LEU  30  52.224 -17.155  -0.788
  184    HG   LEU  30           HG       LEU  30  54.802 -17.075  -2.385
  185   HD11  LEU  30          HD11      LEU  30  53.109 -19.087  -3.335
  186   HD12  LEU  30          HD12      LEU  30  53.004 -19.223  -1.579
  187   HD13  LEU  30          HD13      LEU  30  54.573 -19.320  -2.380
  188   HD21  LEU  30          HD21      LEU  30  52.965 -17.241  -4.267
  189   HD22  LEU  30          HD22      LEU  30  53.356 -15.670  -3.567
  190   HD23  LEU  30          HD23      LEU  30  51.917 -16.539  -3.035
  191    H    ILE  31           HN       ILE  31  55.105 -14.770   1.011
  192    HA   ILE  31           HA       ILE  31  53.159 -14.683   3.185
  193    HB   ILE  31           HB       ILE  31  56.134 -14.862   3.016
  194   HG12  ILE  31          HG12      ILE  31  55.748 -16.667   4.604
  195   HG13  ILE  31          HG11      ILE  31  54.060 -16.188   4.785
  196   HG21  ILE  31          HG21      ILE  31  56.097 -14.471   5.563
  197   HG22  ILE  31          HG22      ILE  31  54.557 -13.657   5.296
  198   HG23  ILE  31          HG23      ILE  31  56.026 -13.040   4.536
  199   HD11  ILE  31          HD11      ILE  31  55.122 -16.823   2.050
  200   HD12  ILE  31          HD12      ILE  31  53.472 -16.951   2.661
  201   HD13  ILE  31          HD13      ILE  31  54.684 -18.141   3.138
  202    HA   PRO  32           HA       PRO  32  54.643 -10.185   3.194
  203    HB2  PRO  32           HB2      PRO  32  55.995  -9.189   1.072
  204    HB3  PRO  32           HB1      PRO  32  56.800 -10.084   2.373
  205    HG2  PRO  32           HG2      PRO  32  56.169 -10.924  -0.379
  206    HG3  PRO  32           HG1      PRO  32  57.459 -11.465   0.703
  207    HD2  PRO  32           HD2      PRO  32  54.993 -12.796   0.168
  208    HD3  PRO  32           HD1      PRO  32  56.223 -13.256   1.361
  209    H    ALA  33           HN       ALA  33  52.676 -11.686   1.182
  210    HA   ALA  33           HA       ALA  33  51.612  -9.222  -0.071
  211    HB1  ALA  33           HB1      ALA  33  50.582 -10.664  -1.754
  212    HB2  ALA  33           HB2      ALA  33  51.219 -12.095  -0.942
  213    HB3  ALA  33           HB3      ALA  33  52.323 -10.945  -1.696
  214    H    ILE  34           HN       ILE  34  51.186 -11.010   2.560
  215    HA   ILE  34           HA       ILE  34  48.291 -10.493   2.619
  216    HB   ILE  34           HB       ILE  34  48.246 -12.741   4.004
  217   HG12  ILE  34          HG12      ILE  34  50.363 -13.390   1.956
  218   HG13  ILE  34          HG11      ILE  34  50.801 -12.903   3.595
  219   HG21  ILE  34          HG21      ILE  34  48.235 -12.409   0.998
  220   HG22  ILE  34          HG22      ILE  34  46.851 -12.468   2.090
  221   HG23  ILE  34          HG23      ILE  34  47.789 -13.928   1.776
  222   HD11  ILE  34          HD11      ILE  34  48.692 -14.969   3.415
  223   HD12  ILE  34          HD12      ILE  34  50.069 -14.859   4.511
  224   HD13  ILE  34          HD13      ILE  34  50.291 -15.480   2.875
  225    H    TYR  35           HN       TYR  35  51.345 -10.861   4.262
  226    HA   TYR  35           HA       TYR  35  50.352 -10.573   6.922
  227    HB2  TYR  35           HB2      TYR  35  53.011 -10.561   5.597
  228    HB3  TYR  35           HB1      TYR  35  52.900  -9.770   7.168
  229    HD1  TYR  35           HD1      TYR  35  50.934 -12.688   5.926
  230    HD2  TYR  35           HD2      TYR  35  53.984 -11.303   8.615
  231    HE1  TYR  35           HE1      TYR  35  50.950 -14.899   7.045
  232    HE2  TYR  35           HE2      TYR  35  54.000 -13.515   9.735
  233    HH   TYR  35           HH       TYR  35  53.380 -15.756   9.384
  234    H    MET  36           HN       MET  36  49.726  -8.518   4.681
  235    HA   MET  36           HA       MET  36  50.315  -6.129   6.326
  236    HB2  MET  36           HB2      MET  36  49.916  -5.585   3.484
  237    HB3  MET  36           HB1      MET  36  51.170  -5.007   4.575
  238    HG2  MET  36           HG2      MET  36  52.269  -6.343   2.907
  239    HG3  MET  36           HG1      MET  36  52.251  -7.290   4.392
  240    HE1  MET  36           HE1      MET  36  49.911  -7.757   0.551
  241    HE2  MET  36           HE2      MET  36  50.566  -6.300   1.294
  242    HE3  MET  36           HE3      MET  36  48.985  -6.899   1.788
  243    H    LEU  37           HN       LEU  37  48.322  -6.927   3.470
  244    HA   LEU  37           HA       LEU  37  46.250  -5.174   3.894
  245    HB2  LEU  37           HB2      LEU  37  46.381  -7.893   2.640
  246    HB3  LEU  37           HB1      LEU  37  44.821  -7.089   2.815
  247    HG   LEU  37           HG       LEU  37  47.101  -5.510   1.699
  248   HD11  LEU  37          HD11      LEU  37  47.197  -7.635   0.453
  249   HD12  LEU  37          HD12      LEU  37  46.574  -6.341  -0.571
  250   HD13  LEU  37          HD13      LEU  37  45.468  -7.525   0.124
  251   HD21  LEU  37          HD21      LEU  37  45.401  -4.211   0.791
  252   HD22  LEU  37          HD22      LEU  37  44.594  -4.823   2.235
  253   HD23  LEU  37          HD23      LEU  37  44.287  -5.573   0.669
  254    H    VAL  38           HN       VAL  38  47.154  -7.756   5.881
  255    HA   VAL  38           HA       VAL  38  44.492  -7.940   7.134
  256    HB   VAL  38           HB       VAL  38  46.957  -9.612   7.667
  257   HG11  VAL  38          HG11      VAL  38  44.017  -9.918   8.356
  258   HG12  VAL  38          HG12      VAL  38  45.346  -9.657   9.486
  259   HG13  VAL  38          HG13      VAL  38  45.228 -11.178   8.600
  260   HG21  VAL  38          HG21      VAL  38  45.956 -11.291   6.208
  261   HG22  VAL  38          HG22      VAL  38  46.133  -9.790   5.300
  262   HG23  VAL  38          HG23      VAL  38  44.553 -10.260   5.926
  263    H    PHE  39           HN       PHE  39  47.912  -7.749   8.095
  264    HA   PHE  39           HA       PHE  39  47.327  -6.854  10.745
  265    HB2  PHE  39           HB2      PHE  39  49.886  -6.828   9.135
  266    HB3  PHE  39           HB1      PHE  39  49.783  -6.475  10.860
  267    HD1  PHE  39           HD2      PHE  39  49.160  -9.088   8.286
  268    HD2  PHE  39           HD1      PHE  39  49.610  -8.226  12.471
  269    HE1  PHE  39           HE2      PHE  39  49.228 -11.518   8.781
  270    HE2  PHE  39           HE1      PHE  39  49.677 -10.655  12.965
  271    HZ   PHE  39           HZ       PHE  39  49.487 -12.301  11.120
  272    H    LEU  40           HN       LEU  40  46.038  -5.223   8.779
  273    HA   LEU  40           HA       LEU  40  47.220  -2.627   9.500
  274    HB2  LEU  40           HB2      LEU  40  46.705  -3.672   6.756
  275    HB3  LEU  40           HB1      LEU  40  46.355  -1.973   7.069
  276    HG   LEU  40           HG       LEU  40  48.965  -3.123   8.000
  277   HD11  LEU  40          HD11      LEU  40  49.286  -3.784   5.816
  278   HD12  LEU  40          HD12      LEU  40  49.717  -2.083   5.645
  279   HD13  LEU  40          HD13      LEU  40  48.107  -2.636   5.184
  280   HD21  LEU  40          HD21      LEU  40  47.870  -0.698   8.331
  281   HD22  LEU  40          HD22      LEU  40  48.599  -0.436   6.746
  282   HD23  LEU  40          HD23      LEU  40  49.608  -0.907   8.114
  283    H    LEU  41           HN       LEU  41  44.577  -4.670   9.310
  284    HA   LEU  41           HA       LEU  41  42.668  -2.417   9.531
  285    HB2  LEU  41           HB2      LEU  41  41.993  -5.268   8.800
  286    HB3  LEU  41           HB1      LEU  41  40.960  -3.845   8.666
  287    HG   LEU  41           HG       LEU  41  43.513  -4.334   7.103
  288   HD11  LEU  41          HD11      LEU  41  41.565  -5.711   6.393
  289   HD12  LEU  41          HD12      LEU  41  42.018  -4.522   5.173
  290   HD13  LEU  41          HD13      LEU  41  40.616  -4.236   6.204
  291   HD21  LEU  41          HD21      LEU  41  43.435  -2.016   7.247
  292   HD22  LEU  41          HD22      LEU  41  41.681  -1.984   7.429
  293   HD23  LEU  41          HD23      LEU  41  42.398  -2.277   5.844
  294    H    GLY  42           HN       GLY  42  43.584  -5.596  10.799
  295    HA2  GLY  42           HA2      GLY  42  41.685  -5.474  12.976
  296    HA3  GLY  42           HA1      GLY  42  42.931  -6.696  12.739
  297    H    THR  43           HN       THR  43  43.810  -3.344  12.637
  298    HA   THR  43           HA       THR  43  44.443  -3.056  15.416
  299    HB   THR  43           HB       THR  43  46.313  -4.378  15.256
  300    HG1  THR  43           HG1      THR  43  48.088  -2.904  14.441
  301   HG21  THR  43          HG21      THR  43  46.194  -5.266  13.105
  302   HG22  THR  43          HG22      THR  43  47.679  -4.319  13.012
  303   HG23  THR  43          HG23      THR  43  46.181  -3.675  12.342
  304    H    THR  44           HN       THR  44  46.593  -1.960  12.890
  305    HA   THR  44           HA       THR  44  47.273   0.240  12.499
  306    HB   THR  44           HB       THR  44  46.028  -0.048  10.559
  307    HG1  THR  44           HG1      THR  44  46.110   2.172  11.236
  308   HG21  THR  44          HG21      THR  44  44.252  -1.427  11.518
  309   HG22  THR  44          HG22      THR  44  43.547  -0.146  10.532
  310   HG23  THR  44          HG23      THR  44  43.541  -0.009  12.290
  311    H    GLY  45           HN       GLY  45  47.268   0.590  14.953
  312    HA2  GLY  45           HA2      GLY  45  47.120   2.591  16.269
  313    HA3  GLY  45           HA1      GLY  45  45.574   2.940  15.500
  314    H    ASN  46           HN       ASN  46  43.998   0.903  15.821
  315    HA   ASN  46           HA       ASN  46  43.249   0.903  18.523
  316    HB2  ASN  46           HB2      ASN  46  41.409   0.157  17.481
  317    HB3  ASN  46           HB1      ASN  46  42.335  -0.321  16.060
  318   HD21  ASN  46          HD21      ASN  46  42.680  -2.549  15.754
  319   HD22  ASN  46          HD22      ASN  46  42.298  -3.737  16.904
  320    H    GLY  47           HN       GLY  47  45.801  -0.699  17.048
  321    HA2  GLY  47           HA2      GLY  47  45.784  -2.968  18.907
  322    HA3  GLY  47           HA1      GLY  47  46.882  -2.747  17.549
  323    H    LEU  48           HN       LEU  48  47.298   0.116  18.406
  324    HA   LEU  48           HA       LEU  48  49.304  -0.463  20.489
  325    HB2  LEU  48           HB2      LEU  48  49.492   2.157  19.231
  326    HB3  LEU  48           HB1      LEU  48  50.712   0.893  19.378
  327    HG   LEU  48           HG       LEU  48  48.494   0.986  17.309
  328   HD11  LEU  48          HD11      LEU  48  49.942   2.182  16.074
  329   HD12  LEU  48          HD12      LEU  48  51.123   0.879  16.207
  330   HD13  LEU  48          HD13      LEU  48  51.098   2.172  17.407
  331   HD21  LEU  48          HD21      LEU  48  50.482  -0.881  16.610
  332   HD22  LEU  48          HD22      LEU  48  48.842  -1.241  17.146
  333   HD23  LEU  48          HD23      LEU  48  50.158  -1.172  18.319
  334    H    VAL  49           HN       VAL  49  46.361   0.135  20.833
  335    HA   VAL  49           HA       VAL  49  46.560   2.629  22.400
  336    HB   VAL  49           HB       VAL  49  44.177   1.137  21.289
  337   HG11  VAL  49          HG11      VAL  49  43.065   3.353  22.231
  338   HG12  VAL  49          HG12      VAL  49  44.418   3.291  23.360
  339   HG13  VAL  49          HG13      VAL  49  43.280   1.946  23.272
  340   HG21  VAL  49          HG21      VAL  49  45.831   2.918  20.057
  341   HG22  VAL  49          HG22      VAL  49  44.658   4.019  20.782
  342   HG23  VAL  49          HG23      VAL  49  44.117   2.757  19.675
  343    H    LEU  50           HN       LEU  50  44.766  -0.453  22.621
  344    HA   LEU  50           HA       LEU  50  45.223  -0.410  25.541
  345    HB2  LEU  50           HB2      LEU  50  43.236  -1.864  25.692
  346    HB3  LEU  50           HB1      LEU  50  42.860  -0.332  24.905
  347    HG   LEU  50           HG       LEU  50  43.638  -1.914  22.781
  348   HD11  LEU  50          HD11      LEU  50  42.636  -4.065  23.004
  349   HD12  LEU  50          HD12      LEU  50  41.839  -3.618  24.512
  350   HD13  LEU  50          HD13      LEU  50  43.587  -3.843  24.472
  351   HD21  LEU  50          HD21      LEU  50  41.730  -0.437  22.721
  352   HD22  LEU  50          HD22      LEU  50  40.901  -1.373  23.965
  353   HD23  LEU  50          HD23      LEU  50  41.143  -2.061  22.359
  354    H    TRP  51           HN       TRP  51  45.376  -2.393  22.631
  355    HA   TRP  51           HA       TRP  51  46.185  -4.789  23.977
  356    HB2  TRP  51           HB2      TRP  51  45.132  -4.872  21.769
  357    HB3  TRP  51           HB1      TRP  51  46.476  -3.963  21.079
  358    HD1  TRP  51           HD1      TRP  51  48.373  -5.353  20.124
  359    HE1  TRP  51           HE1      TRP  51  49.176  -7.793  20.363
  360    HE3  TRP  51           HE3      TRP  51  45.145  -6.997  23.723
  361    HZ2  TRP  51           HZ2      TRP  51  48.533 -10.130  21.879
  362    HZ3  TRP  51           HZ3      TRP  51  45.261  -9.332  24.545
  363    HH2  TRP  51           HH2      TRP  51  46.951 -10.898  23.629
  364    H    THR  52           HN       THR  52  47.709  -1.982  23.959
  365    HA   THR  52           HA       THR  52  50.369  -2.835  23.166
  366    HB   THR  52           HB       THR  52  49.673  -0.506  22.807
  367    HG1  THR  52           HG1      THR  52  51.871  -1.340  23.947
  368   HG21  THR  52          HG21      THR  52  48.204  -0.521  24.916
  369   HG22  THR  52          HG22      THR  52  49.108   0.958  24.587
  370   HG23  THR  52          HG23      THR  52  49.687  -0.177  25.807
  371    H    VAL  53           HN       VAL  53  48.418  -2.951  25.967
  372    HA   VAL  53           HA       VAL  53  50.580  -2.933  27.884
  373    HB   VAL  53           HB       VAL  53  47.740  -3.893  28.276
  374   HG11  VAL  53          HG11      VAL  53  48.330  -4.147  30.437
  375   HG12  VAL  53          HG12      VAL  53  49.045  -2.535  30.483
  376   HG13  VAL  53          HG13      VAL  53  50.006  -3.910  29.941
  377   HG21  VAL  53          HG21      VAL  53  47.118  -1.753  27.909
  378   HG22  VAL  53          HG22      VAL  53  48.795  -1.237  27.742
  379   HG23  VAL  53          HG23      VAL  53  48.051  -1.313  29.340
  380    H    PHE  54           HN       PHE  54  48.656  -5.338  26.174
  381    HA   PHE  54           HA       PHE  54  49.886  -7.543  27.625
  382    HB2  PHE  54           HB2      PHE  54  47.603  -7.180  25.832
  383    HB3  PHE  54           HB1      PHE  54  48.530  -8.638  25.482
  384    HD1  PHE  54           HD2      PHE  54  47.773  -6.818  28.672
  385    HD2  PHE  54           HD1      PHE  54  47.475 -10.485  26.456
  386    HE1  PHE  54           HE2      PHE  54  46.768  -7.930  30.648
  387    HE2  PHE  54           HE1      PHE  54  46.471 -11.597  28.431
  388    HZ   PHE  54           HZ       PHE  54  46.117 -10.320  30.527
  389    H    ARG  55           HN       ARG  55  51.019  -5.533  25.362
  390    HA   ARG  55           HA       ARG  55  52.330  -7.607  23.734
  391    HB2  ARG  55           HB2      ARG  55  51.171  -5.645  22.631
  392    HB3  ARG  55           HB1      ARG  55  52.422  -4.615  23.328
  393    HG2  ARG  55           HG2      ARG  55  53.623  -5.087  21.468
  394    HG3  ARG  55           HG1      ARG  55  53.884  -6.674  22.194
  395    HD2  ARG  55           HD2      ARG  55  51.600  -5.936  20.342
  396    HD3  ARG  55           HD1      ARG  55  53.012  -6.890  19.899
  397    HE   ARG  55           HE       ARG  55  51.520  -7.950  22.148
  398   HH11  ARG  55          HH21      ARG  55  51.922  -7.822  18.713
  399   HH12  ARG  55          HH22      ARG  55  51.162  -9.352  18.429
  400   HH21  ARG  55          HH11      ARG  55  50.524  -9.958  21.783
  401   HH22  ARG  55          HH12      ARG  55  50.371 -10.561  20.167
  402    H    LYS  56           HN       LYS  56  53.287  -4.467  25.146
  403    HA   LYS  56           HA       LYS  56  56.033  -4.924  25.172
  404    HB2  LYS  56           HB2      LYS  56  54.320  -3.261  27.029
  405    HB3  LYS  56           HB1      LYS  56  56.083  -3.206  27.005
  406    HG2  LYS  56           HG2      LYS  56  56.052  -2.542  24.641
  407    HG3  LYS  56           HG1      LYS  56  54.292  -2.639  24.626
  408    HD2  LYS  56           HD2      LYS  56  55.121  -0.997  26.836
  409    HD3  LYS  56           HD1      LYS  56  55.892  -0.414  25.360
  410    HE2  LYS  56           HE2      LYS  56  53.718  -0.317  24.232
  411    HE3  LYS  56           HE1      LYS  56  52.925  -0.965  25.667
  412    HZ1  LYS  56           HZ1      LYS  56  53.245   1.650  25.149
  413    HZ2  LYS  56           HZ2      LYS  56  54.581   1.348  26.154
  414    HZ3  LYS  56           HZ3      LYS  56  53.009   1.000  26.699
  415    H    LYS  57           HN       LYS  57  53.550  -5.917  27.452
  416    HA   LYS  57           HA       LYS  57  55.574  -7.050  29.252
  417    HB2  LYS  57           HB2      LYS  57  52.597  -7.179  29.671
  418    HB3  LYS  57           HB1      LYS  57  53.884  -7.205  30.876
  419    HG2  LYS  57           HG2      LYS  57  53.075  -4.842  29.157
  420    HG3  LYS  57           HG1      LYS  57  52.827  -5.010  30.896
  421    HD2  LYS  57           HD2      LYS  57  55.436  -5.377  30.934
  422    HD3  LYS  57           HD1      LYS  57  55.377  -4.534  29.385
  423    HE2  LYS  57           HE2      LYS  57  53.944  -2.771  30.616
  424    HE3  LYS  57           HE1      LYS  57  54.529  -3.525  32.100
  425    HZ1  LYS  57           HZ1      LYS  57  56.824  -3.255  30.997
  426    HZ2  LYS  57           HZ2      LYS  57  56.090  -1.897  31.707
  427    HZ3  LYS  57           HZ3      LYS  57  56.053  -2.103  30.019
  428    H    GLY  58           HN       GLY  58  53.842  -7.959  26.561
  429    HA2  GLY  58           HA2      GLY  58  54.486 -10.750  26.945
  430    HA3  GLY  58           HA1      GLY  58  52.755 -10.423  26.923
  431    H    HIS  59           HN       HIS  59  55.738  -9.916  25.060
  432    HA   HIS  59           HA       HIS  59  54.768  -8.967  22.680
  433    HB2  HIS  59           HB2      HIS  59  57.138 -10.292  23.556
  434    HB3  HIS  59           HB1      HIS  59  56.632 -11.022  22.032
  435    HD2  HIS  59           HD2      HIS  59  57.169  -7.277  23.319
  436    HE1  HIS  59           HE1      HIS  59  58.103  -7.498  19.208
  437    HE2  HIS  59           HE2      HIS  59  58.030  -5.966  21.231
  438    H    HIS  60           HN       HIS  60  54.373 -12.158  24.032
  439    HA   HIS  60           HA       HIS  60  53.464 -13.390  21.595
  440    HB2  HIS  60           HB2      HIS  60  53.237 -14.246  24.490
  441    HB3  HIS  60           HB1      HIS  60  52.768 -15.243  23.112
  442    HD2  HIS  60           HD2      HIS  60  55.951 -13.281  22.302
  443    HE1  HIS  60           HE1      HIS  60  57.231 -17.079  23.629
  444    HE2  HIS  60           HE2      HIS  60  57.970 -14.924  22.507
  445    H    HIS  61           HN       HIS  61  51.325 -14.394  23.863
  446    HA   HIS  61           HA       HIS  61  49.338 -12.406  23.936
  447    HB2  HIS  61           HB2      HIS  61  47.773 -13.577  22.242
  448    HB3  HIS  61           HB1      HIS  61  49.029 -12.512  21.609
  449    HD2  HIS  61           HD2      HIS  61  49.259 -16.386  22.564
  450    HE1  HIS  61           HE1      HIS  61  50.822 -15.797  18.686
  451    HE2  HIS  61           HE2      HIS  61  50.390 -17.520  20.501
  452    H    HIS  62           HN       HIS  62  50.100 -13.955  25.910
  453    HA   HIS  62           HA       HIS  62  49.527 -15.620  27.408
  454    HB2  HIS  62           HB2      HIS  62  47.582 -13.899  27.349
  455    HB3  HIS  62           HB1      HIS  62  46.696 -15.169  26.504
  456    HD2  HIS  62           HD2      HIS  62  48.061 -14.410  30.096
  457    HE1  HIS  62           HE1      HIS  62  46.001 -18.091  30.246
  458    HE2  HIS  62           HE2      HIS  62  47.129 -16.296  31.643
  459    H    HIS  63           HN       HIS  63  50.373 -17.494  26.519
  460    HA   HIS  63           HA       HIS  63  48.412 -19.239  25.182
  461    HB2  HIS  63           HB2      HIS  63  50.320 -18.147  23.701
  462    HB3  HIS  63           HB1      HIS  63  51.289 -19.435  24.415
  463    HD2  HIS  63           HD2      HIS  63  48.630 -21.624  24.386
  464    HE1  HIS  63           HE1      HIS  63  49.087 -21.193  20.211
  465    HE2  HIS  63           HE2      HIS  63  48.067 -22.628  22.042
  466    H    HIS  64           HN       HIS  64  50.572 -21.220  24.903
  467    HA   HIS  64           HA       HIS  64  50.166 -22.647  27.309
  468    HB2  HIS  64           HB2      HIS  64  51.189 -23.217  24.778
  469    HB3  HIS  64           HB1      HIS  64  52.549 -23.477  25.870
  470    HD2  HIS  64           HD2      HIS  64  49.814 -25.591  24.554
  471    HE1  HIS  64           HE1      HIS  64  50.288 -26.958  28.520
  472    HE2  HIS  64           HE2      HIS  64  49.259 -27.488  26.259
  Start of MODEL   33
    1    H1   MET   1           HT1      MET   1  78.128 -34.311 -21.293
    2    H2   MET   1           HT2      MET   1  77.861 -34.066 -19.633
    3    H3   MET   1           HT3      MET   1  78.198 -32.745 -20.646
    4    HA   MET   1           HA       MET   1  75.805 -34.466 -20.955
    5    HB2  MET   1           HB2      MET   1  76.147 -31.832 -19.491
    6    HB3  MET   1           HB1      MET   1  74.588 -32.558 -19.886
    7    HG2  MET   1           HG2      MET   1  74.736 -34.050 -18.193
    8    HG3  MET   1           HG1      MET   1  76.412 -34.440 -18.579
    9    HE1  MET   1           HE1      MET   1  74.733 -30.913 -17.671
   10    HE2  MET   1           HE2      MET   1  74.802 -31.081 -15.918
   11    HE3  MET   1           HE3      MET   1  73.904 -32.257 -16.874
   12    H    GLU   2           HN       GLU   2  74.082 -32.833 -21.950
   13    HA   GLU   2           HA       GLU   2  75.206 -31.992 -24.478
   14    HB2  GLU   2           HB2      GLU   2  72.386 -31.874 -23.382
   15    HB3  GLU   2           HB1      GLU   2  72.838 -31.436 -25.029
   16    HG2  GLU   2           HG2      GLU   2  73.844 -33.749 -25.263
   17    HG3  GLU   2           HG1      GLU   2  73.102 -34.150 -23.714
   18    H    GLU   3           HN       GLU   3  76.592 -30.373 -23.195
   19    HA   GLU   3           HA       GLU   3  75.361 -28.010 -22.172
   20    HB2  GLU   3           HB2      GLU   3  78.185 -28.541 -23.126
   21    HB3  GLU   3           HB1      GLU   3  77.670 -27.068 -22.303
   22    HG2  GLU   3           HG2      GLU   3  77.377 -28.134 -20.275
   23    HG3  GLU   3           HG1      GLU   3  77.006 -29.686 -21.025
   24    H    GLY   4           HN       GLY   4  77.607 -28.104 -24.923
   25    HA2  GLY   4           HA2      GLY   4  77.539 -27.089 -26.990
   26    HA3  GLY   4           HA1      GLY   4  75.785 -27.056 -26.836
   27    H    GLY   5           HN       GLY   5  76.806 -25.619 -24.111
   28    HA2  GLY   5           HA2      GLY   5  77.877 -23.247 -24.242
   29    HA3  GLY   5           HA1      GLY   5  76.476 -22.932 -25.261
   30    H    ASP   6           HN       ASP   6  77.352 -21.941 -22.526
   31    HA   ASP   6           HA       ASP   6  75.180 -22.890 -20.814
   32    HB2  ASP   6           HB2      ASP   6  77.743 -22.087 -20.264
   33    HB3  ASP   6           HB1      ASP   6  76.817 -20.639 -19.871
   34    H    PHE   7           HN       PHE   7  76.414 -19.679 -21.786
   35    HA   PHE   7           HA       PHE   7  75.333 -17.676 -22.110
   36    HB2  PHE   7           HB2      PHE   7  73.203 -19.590 -23.087
   37    HB3  PHE   7           HB1      PHE   7  73.130 -17.840 -23.298
   38    HD1  PHE   7           HD2      PHE   7  75.155 -16.699 -24.445
   39    HD2  PHE   7           HD1      PHE   7  74.380 -20.919 -24.630
   40    HE1  PHE   7           HE2      PHE   7  76.608 -16.878 -26.447
   41    HE2  PHE   7           HE1      PHE   7  75.831 -21.099 -26.633
   42    HZ   PHE   7           HZ       PHE   7  76.945 -19.077 -27.541
   43    H    ASP   8           HN       ASP   8  75.265 -18.597 -19.481
   44    HA   ASP   8           HA       ASP   8  72.954 -17.167 -18.494
   45    HB2  ASP   8           HB2      ASP   8  73.240 -20.141 -18.137
   46    HB3  ASP   8           HB1      ASP   8  72.388 -19.159 -16.946
   47    H    ASN   9           HN       ASN   9  75.264 -16.145 -18.121
   48    HA   ASN   9           HA       ASN   9  75.763 -16.339 -15.306
   49    HB2  ASN   9           HB2      ASN   9  77.426 -17.876 -17.152
   50    HB3  ASN   9           HB1      ASN   9  78.360 -16.750 -16.168
   51   HD21  ASN   9          HD21      ASN   9  77.618 -19.877 -16.109
   52   HD22  ASN   9          HD22      ASN   9  77.353 -20.126 -14.451
   53    H    TYR  10           HN       TYR  10  76.412 -14.388 -14.613
   54    HA   TYR  10           HA       TYR  10  77.253 -12.259 -14.592
   55    HB2  TYR  10           HB2      TYR  10  79.145 -13.613 -15.795
   56    HB3  TYR  10           HB1      TYR  10  78.610 -12.710 -17.212
   57    HD1  TYR  10           HD1      TYR  10  79.584 -12.228 -13.627
   58    HD2  TYR  10           HD2      TYR  10  79.375 -10.518 -17.562
   59    HE1  TYR  10           HE1      TYR  10  80.819 -10.233 -12.825
   60    HE2  TYR  10           HE2      TYR  10  80.611  -8.522 -16.759
   61    HH   TYR  10           HH       TYR  10  82.422  -8.321 -14.371
   62    H    TYR  11           HN       TYR  11  75.997 -13.435 -17.684
   63    HA   TYR  11           HA       TYR  11  74.859 -12.339 -19.376
   64    HB2  TYR  11           HB2      TYR  11  73.343 -10.763 -17.383
   65    HB3  TYR  11           HB1      TYR  11  72.762 -11.866 -18.632
   66    HD1  TYR  11           HD1      TYR  11  74.070 -11.601 -15.195
   67    HD2  TYR  11           HD2      TYR  11  72.578 -14.261 -18.219
   68    HE1  TYR  11           HE1      TYR  11  73.830 -13.394 -13.499
   69    HE2  TYR  11           HE2      TYR  11  72.337 -16.054 -16.523
   70    HH   TYR  11           HH       TYR  11  73.627 -16.482 -14.106
   71    H    GLY  12           HN       GLY  12  77.297 -11.053 -18.797
   72    HA2  GLY  12           HA2      GLY  12  78.294  -9.114 -19.626
   73    HA3  GLY  12           HA1      GLY  12  76.695  -8.398 -19.803
   74    H    ALA  13           HN       ALA  13  75.687  -8.615 -17.252
   75    HA   ALA  13           HA       ALA  13  77.585  -7.541 -15.341
   76    HB1  ALA  13           HB1      ALA  13  76.124  -5.456 -15.032
   77    HB2  ALA  13           HB2      ALA  13  75.470  -5.820 -16.629
   78    HB3  ALA  13           HB3      ALA  13  77.190  -5.481 -16.438
   79    H    ASP  14           HN       ASP  14  74.197  -6.672 -15.383
   80    HA   ASP  14           HA       ASP  14  72.471  -7.203 -13.963
   81    HB2  ASP  14           HB2      ASP  14  73.100  -9.466 -15.248
   82    HB3  ASP  14           HB1      ASP  14  73.482  -9.978 -13.605
   83    H    ASN  15           HN       ASN  15  74.970  -6.220 -12.816
   84    HA   ASN  15           HA       ASN  15  75.218  -7.654 -10.281
   85    HB2  ASN  15           HB2      ASN  15  77.239  -6.796 -11.447
   86    HB3  ASN  15           HB1      ASN  15  76.634  -5.155 -11.233
   87   HD21  ASN  15          HD21      ASN  15  77.379  -8.088  -9.264
   88   HD22  ASN  15          HD22      ASN  15  77.923  -7.215  -7.915
   89    H    GLN  16           HN       GLN  16  72.910  -5.791 -11.347
   90    HA   GLN  16           HA       GLN  16  72.818  -3.838  -9.173
   91    HB2  GLN  16           HB2      GLN  16  70.713  -4.325 -11.282
   92    HB3  GLN  16           HB1      GLN  16  70.966  -2.871 -10.315
   93    HG2  GLN  16           HG2      GLN  16  72.811  -3.969 -12.455
   94    HG3  GLN  16           HG1      GLN  16  71.867  -2.482 -12.536
   95   HE21  GLN  16          HE21      GLN  16  74.799  -3.927 -11.258
   96   HE22  GLN  16          HE22      GLN  16  75.423  -2.505 -10.571
   97    H    SER  17           HN       SER  17  72.225  -7.010  -9.345
   98    HA   SER  17           HA       SER  17  70.888  -7.335  -6.989
   99    HB2  SER  17           HB2      SER  17  68.539  -7.942  -8.159
  100    HB3  SER  17           HB1      SER  17  68.876  -6.367  -7.447
  101    HG   SER  17           HG       SER  17  68.444  -5.696  -9.399
  102    H    GLU  18           HN       GLU  18  71.374  -8.415 -10.259
  103    HA   GLU  18           HA       GLU  18  71.433 -10.528 -11.206
  104    HB2  GLU  18           HB2      GLU  18  73.502 -10.258  -9.650
  105    HB3  GLU  18           HB1      GLU  18  72.667 -11.415  -8.613
  106    HG2  GLU  18           HG2      GLU  18  72.381 -12.689 -10.960
  107    HG3  GLU  18           HG1      GLU  18  73.868 -11.808 -11.310
  108    H    CYS  19           HN       CYS  19  68.974  -9.966  -9.818
  109    HA   CYS  19           HA       CYS  19  68.163 -12.728  -9.240
  110    HB2  CYS  19           HB2      CYS  19  68.548 -10.933  -7.192
  111    HB3  CYS  19           HB1      CYS  19  66.827 -10.757  -7.535
  112    HG   CYS  19           HG       CYS  19  66.868 -12.772  -5.975
  113    H    GLU  20           HN       GLU  20  67.855 -10.566 -11.379
  114    HA   GLU  20           HA       GLU  20  66.186  -9.542 -12.614
  115    HB2  GLU  20           HB2      GLU  20  64.610 -11.221 -13.513
  116    HB3  GLU  20           HB1      GLU  20  66.276 -11.794 -13.507
  117    HG2  GLU  20           HG2      GLU  20  65.895 -13.162 -11.577
  118    HG3  GLU  20           HG1      GLU  20  64.323 -12.423 -11.282
  119    H    TYR  21           HN       TYR  21  65.831  -9.353  -9.662
  120    HA   TYR  21           HA       TYR  21  64.281  -8.203  -8.374
  121    HB2  TYR  21           HB2      TYR  21  63.333  -7.624 -10.802
  122    HB3  TYR  21           HB1      TYR  21  62.037  -8.694 -10.268
  123    HD1  TYR  21           HD1      TYR  21  64.132  -5.867  -8.956
  124    HD2  TYR  21           HD2      TYR  21  60.277  -7.761  -9.051
  125    HE1  TYR  21           HE1      TYR  21  63.198  -4.038  -7.567
  126    HE2  TYR  21           HE2      TYR  21  59.344  -5.931  -7.662
  127    HH   TYR  21           HH       TYR  21  60.283  -4.242  -5.978
  128    H    THR  22           HN       THR  22  64.858 -10.909  -8.028
  129    HA   THR  22           HA       THR  22  64.087 -12.816  -7.004
  130    HB   THR  22           HB       THR  22  62.531 -12.496  -5.251
  131    HG1  THR  22           HG1      THR  22  60.777 -11.682  -6.233
  132   HG21  THR  22          HG21      THR  22  63.294  -9.652  -5.359
  133   HG22  THR  22          HG22      THR  22  64.632 -10.774  -5.601
  134   HG23  THR  22          HG23      THR  22  63.654 -10.868  -4.135
  135    H    ASP  23           HN       ASP  23  63.189 -12.215  -9.741
  136    HA   ASP  23           HA       ASP  23  60.531 -13.483  -9.779
  137    HB2  ASP  23           HB2      ASP  23  62.103 -11.908 -11.809
  138    HB3  ASP  23           HB1      ASP  23  60.719 -12.892 -12.281
  139    H    TRP  24           HN       TRP  24  63.738 -14.319  -9.887
  140    HA   TRP  24           HA       TRP  24  63.854 -16.195 -11.997
  141    HB2  TRP  24           HB2      TRP  24  65.845 -16.983 -10.998
  142    HB3  TRP  24           HB1      TRP  24  65.780 -15.275 -10.564
  143    HD1  TRP  24           HD1      TRP  24  65.316 -14.645  -8.054
  144    HE1  TRP  24           HE1      TRP  24  65.370 -16.015  -5.870
  145    HE3  TRP  24           HE3      TRP  24  65.365 -19.375  -9.978
  146    HZ2  TRP  24           HZ2      TRP  24  65.427 -18.754  -5.048
  147    HZ3  TRP  24           HZ3      TRP  24  65.419 -21.343  -8.474
  148    HH2  TRP  24           HH2      TRP  24  65.450 -21.038  -6.014
  149    H    LYS  25           HN       LYS  25  61.991 -16.184  -9.207
  150    HA   LYS  25           HA       LYS  25  61.419 -19.056  -9.534
  151    HB2  LYS  25           HB2      LYS  25  61.031 -19.013  -6.957
  152    HB3  LYS  25           HB1      LYS  25  62.673 -19.184  -7.572
  153    HG2  LYS  25           HG2      LYS  25  62.604 -17.510  -5.775
  154    HG3  LYS  25           HG1      LYS  25  63.016 -16.740  -7.305
  155    HD2  LYS  25           HD2      LYS  25  60.899 -15.754  -7.526
  156    HD3  LYS  25           HD1      LYS  25  60.145 -16.900  -6.416
  157    HE2  LYS  25           HE2      LYS  25  61.198 -15.885  -4.516
  158    HE3  LYS  25           HE1      LYS  25  62.251 -14.911  -5.542
  159    HZ1  LYS  25           HZ1      LYS  25  59.627 -14.350  -4.647
  160    HZ2  LYS  25           HZ2      LYS  25  59.665 -14.367  -6.346
  161    HZ3  LYS  25           HZ3      LYS  25  60.709 -13.343  -5.479
  162    H    SER  26           HN       SER  26  60.286 -16.013  -9.729
  163    HA   SER  26           HA       SER  26  58.227 -14.984  -9.460
  164    HB2  SER  26           HB2      SER  26  57.525 -15.984 -11.396
  165    HB3  SER  26           HB1      SER  26  57.844 -17.610 -10.800
  166    HG   SER  26           HG       SER  26  55.801 -15.980  -9.721
  167    H    SER  27           HN       SER  27  57.977 -14.650  -7.263
  168    HA   SER  27           HA       SER  27  55.898 -16.181  -5.990
  169    HB2  SER  27           HB2      SER  27  57.125 -17.046  -4.145
  170    HB3  SER  27           HB1      SER  27  58.031 -17.514  -5.580
  171    HG   SER  27           HG       SER  27  58.753 -15.921  -3.514
  172    H    GLY  28           HN       GLY  28  58.402 -13.714  -5.785
  173    HA2  GLY  28           HA2      GLY  28  57.285 -12.363  -3.516
  174    HA3  GLY  28           HA1      GLY  28  58.520 -11.732  -4.600
  175    H    ALA  29           HN       ALA  29  55.646 -12.903  -6.067
  176    HA   ALA  29           HA       ALA  29  54.734 -10.125  -6.528
  177    HB1  ALA  29           HB1      ALA  29  53.906 -12.300  -8.374
  178    HB2  ALA  29           HB2      ALA  29  55.597 -11.800  -8.440
  179    HB3  ALA  29           HB3      ALA  29  54.317 -10.620  -8.720
  180    H    LEU  30           HN       LEU  30  54.016 -12.861  -4.843
  181    HA   LEU  30           HA       LEU  30  51.181 -12.108  -4.669
  182    HB2  LEU  30           HB2      LEU  30  50.557 -14.536  -4.649
  183    HB3  LEU  30           HB1      LEU  30  51.145 -13.964  -6.210
  184    HG   LEU  30           HG       LEU  30  53.407 -14.810  -4.692
  185   HD11  LEU  30          HD11      LEU  30  51.213 -16.897  -4.868
  186   HD12  LEU  30          HD12      LEU  30  51.749 -16.129  -3.374
  187   HD13  LEU  30          HD13      LEU  30  52.857 -17.156  -4.285
  188   HD21  LEU  30          HD21      LEU  30  53.604 -16.430  -6.571
  189   HD22  LEU  30          HD22      LEU  30  53.236 -14.802  -7.140
  190   HD23  LEU  30          HD23      LEU  30  51.963 -16.022  -7.072
  191    H    ILE  31           HN       ILE  31  54.060 -13.478  -3.294
  192    HA   ILE  31           HA       ILE  31  52.940 -14.392  -0.850
  193    HB   ILE  31           HB       ILE  31  55.591 -14.107  -2.018
  194   HG12  ILE  31          HG12      ILE  31  55.972 -16.128  -0.668
  195   HG13  ILE  31          HG11      ILE  31  54.462 -15.842   0.197
  196   HG21  ILE  31          HG21      ILE  31  56.021 -12.481  -0.248
  197   HG22  ILE  31          HG22      ILE  31  56.796 -14.006   0.169
  198   HG23  ILE  31          HG23      ILE  31  55.288 -13.551   0.955
  199   HD11  ILE  31          HD11      ILE  31  54.187 -15.842  -2.737
  200   HD12  ILE  31          HD12      ILE  31  53.192 -16.631  -1.513
  201   HD13  ILE  31          HD13      ILE  31  54.688 -17.390  -2.057
  202    HA   PRO  32           HA       PRO  32  53.940 -10.085   0.844
  203    HB2  PRO  32           HB2      PRO  32  54.677  -8.091  -0.846
  204    HB3  PRO  32           HB1      PRO  32  55.831  -9.265  -0.189
  205    HG2  PRO  32           HG2      PRO  32  54.729  -9.034  -2.903
  206    HG3  PRO  32           HG1      PRO  32  56.242  -9.764  -2.354
  207    HD2  PRO  32           HD2      PRO  32  53.809 -11.113  -3.026
  208    HD3  PRO  32           HD1      PRO  32  55.299 -11.833  -2.381
  209    H    ALA  33           HN       ALA  33  51.676 -10.974  -1.168
  210    HA   ALA  33           HA       ALA  33  50.225  -8.409  -1.289
  211    HB1  ALA  33           HB1      ALA  33  48.627  -9.916  -2.712
  212    HB2  ALA  33           HB2      ALA  33  50.025 -10.987  -2.811
  213    HB3  ALA  33           HB3      ALA  33  50.133  -9.336  -3.423
  214    H    ILE  34           HN       ILE  34  50.037 -11.719  -0.076
  215    HA   ILE  34           HA       ILE  34  47.439 -11.219   1.164
  216    HB   ILE  34           HB       ILE  34  48.978 -13.683   1.782
  217   HG12  ILE  34          HG12      ILE  34  49.573 -13.418  -0.556
  218   HG13  ILE  34          HG11      ILE  34  48.327 -14.657  -0.439
  219   HG21  ILE  34          HG21      ILE  34  46.656 -13.311   2.550
  220   HG22  ILE  34          HG22      ILE  34  46.762 -14.692   1.460
  221   HG23  ILE  34          HG23      ILE  34  46.133 -13.153   0.874
  222   HD11  ILE  34          HD11      ILE  34  47.292 -13.450  -2.066
  223   HD12  ILE  34          HD12      ILE  34  48.218 -11.994  -1.709
  224   HD13  ILE  34          HD13      ILE  34  46.802 -12.396  -0.742
  225    H    TYR  35           HN       TYR  35  50.827 -11.465   2.014
  226    HA   TYR  35           HA       TYR  35  50.437 -11.615   4.844
  227    HB2  TYR  35           HB2      TYR  35  52.718 -11.263   2.989
  228    HB3  TYR  35           HB1      TYR  35  52.930 -10.591   4.606
  229    HD1  TYR  35           HD1      TYR  35  51.881 -13.696   2.807
  230    HD2  TYR  35           HD2      TYR  35  53.441 -11.993   6.428
  231    HE1  TYR  35           HE1      TYR  35  52.289 -15.973   3.701
  232    HE2  TYR  35           HE2      TYR  35  53.851 -14.270   7.322
  233    HH   TYR  35           HH       TYR  35  53.411 -17.135   5.323
  234    H    MET  36           HN       MET  36  49.295  -9.337   3.024
  235    HA   MET  36           HA       MET  36  50.147  -7.099   4.767
  236    HB2  MET  36           HB2      MET  36  48.917  -6.758   2.042
  237    HB3  MET  36           HB1      MET  36  49.867  -5.601   2.975
  238    HG2  MET  36           HG2      MET  36  50.868  -8.138   1.655
  239    HG3  MET  36           HG1      MET  36  51.288  -6.479   1.228
  240    HE1  MET  36           HE1      MET  36  53.815  -5.290   3.613
  241    HE2  MET  36           HE2      MET  36  52.165  -4.785   3.257
  242    HE3  MET  36           HE3      MET  36  53.213  -5.337   1.951
  243    H    LEU  37           HN       LEU  37  47.401  -8.291   2.823
  244    HA   LEU  37           HA       LEU  37  45.477  -6.684   4.202
  245    HB2  LEU  37           HB2      LEU  37  44.926  -9.191   2.608
  246    HB3  LEU  37           HB1      LEU  37  43.837  -7.835   2.900
  247    HG   LEU  37           HG       LEU  37  46.413  -7.741   1.301
  248   HD11  LEU  37          HD11      LEU  37  43.482  -7.632   0.544
  249   HD12  LEU  37          HD12      LEU  37  44.681  -8.816   0.025
  250   HD13  LEU  37          HD13      LEU  37  44.780  -7.152  -0.549
  251   HD21  LEU  37          HD21      LEU  37  44.492  -5.639   2.275
  252   HD22  LEU  37          HD22      LEU  37  45.337  -5.407   0.744
  253   HD23  LEU  37          HD23      LEU  37  46.255  -5.600   2.238
  254    H    VAL  38           HN       VAL  38  47.299  -8.850   5.555
  255    HA   VAL  38           HA       VAL  38  45.156  -9.877   7.302
  256    HB   VAL  38           HB       VAL  38  47.557 -11.499   6.436
  257   HG11  VAL  38          HG11      VAL  38  46.714 -12.125   8.624
  258   HG12  VAL  38          HG12      VAL  38  46.193 -13.345   7.460
  259   HG13  VAL  38          HG13      VAL  38  45.054 -12.124   8.028
  260   HG21  VAL  38          HG21      VAL  38  44.661 -11.702   5.550
  261   HG22  VAL  38          HG22      VAL  38  45.965 -12.789   5.074
  262   HG23  VAL  38          HG23      VAL  38  45.987 -11.105   4.553
  263    H    PHE  39           HN       PHE  39  48.626  -9.256   6.890
  264    HA   PHE  39           HA       PHE  39  49.351  -9.525   9.606
  265    HB2  PHE  39           HB2      PHE  39  50.927  -9.445   7.637
  266    HB3  PHE  39           HB1      PHE  39  50.662  -7.703   7.581
  267    HD1  PHE  39           HD2      PHE  39  51.262  -6.286   9.569
  268    HD2  PHE  39           HD1      PHE  39  52.338 -10.436   9.294
  269    HE1  PHE  39           HE2      PHE  39  52.937  -5.971  11.371
  270    HE2  PHE  39           HE1      PHE  39  54.013 -10.120  11.096
  271    HZ   PHE  39           HZ       PHE  39  54.313  -7.888  12.135
  272    H    LEU  40           HN       LEU  40  47.934  -6.903   7.780
  273    HA   LEU  40           HA       LEU  40  48.183  -5.099  10.096
  274    HB2  LEU  40           HB2      LEU  40  47.373  -4.571   7.227
  275    HB3  LEU  40           HB1      LEU  40  47.410  -3.348   8.498
  276    HG   LEU  40           HG       LEU  40  49.875  -4.970   8.205
  277   HD11  LEU  40          HD11      LEU  40  48.933  -2.993   6.112
  278   HD12  LEU  40          HD12      LEU  40  49.415  -4.671   5.861
  279   HD13  LEU  40          HD13      LEU  40  50.621  -3.465   6.307
  280   HD21  LEU  40          HD21      LEU  40  50.907  -2.804   8.665
  281   HD22  LEU  40          HD22      LEU  40  49.585  -3.067   9.802
  282   HD23  LEU  40          HD23      LEU  40  49.363  -1.987   8.426
  283    H    LEU  41           HN       LEU  41  46.485  -7.070  10.688
  284    HA   LEU  41           HA       LEU  41  43.879  -5.721  10.644
  285    HB2  LEU  41           HB2      LEU  41  44.422  -7.957   9.049
  286    HB3  LEU  41           HB1      LEU  41  43.574  -8.604  10.451
  287    HG   LEU  41           HG       LEU  41  41.945  -7.989   8.754
  288   HD11  LEU  41          HD11      LEU  41  41.534  -5.696  10.559
  289   HD12  LEU  41          HD12      LEU  41  41.859  -7.222  11.380
  290   HD13  LEU  41          HD13      LEU  41  40.502  -7.096  10.260
  291   HD21  LEU  41          HD21      LEU  41  42.029  -6.085   7.513
  292   HD22  LEU  41          HD22      LEU  41  43.699  -5.985   8.067
  293   HD23  LEU  41          HD23      LEU  41  42.438  -5.086   8.907
  294    H    GLY  42           HN       GLY  42  45.838  -8.382  11.943
  295    HA2  GLY  42           HA2      GLY  42  44.201  -8.713  14.285
  296    HA3  GLY  42           HA1      GLY  42  45.771  -9.456  13.993
  297    H    THR  43           HN       THR  43  46.693  -6.552  13.369
  298    HA   THR  43           HA       THR  43  46.811  -5.525  16.125
  299    HB   THR  43           HB       THR  43  48.877  -6.512  16.222
  300    HG1  THR  43           HG1      THR  43  49.834  -4.656  16.320
  301   HG21  THR  43          HG21      THR  43  48.734  -6.386  13.225
  302   HG22  THR  43          HG22      THR  43  48.959  -7.788  14.272
  303   HG23  THR  43          HG23      THR  43  50.288  -6.658  14.014
  304    H    THR  44           HN       THR  44  47.701  -4.963  12.729
  305    HA   THR  44           HA       THR  44  47.856  -3.019  11.501
  306    HB   THR  44           HB       THR  44  45.801  -2.109  11.206
  307    HG1  THR  44           HG1      THR  44  44.595  -1.285  12.971
  308   HG21  THR  44          HG21      THR  44  44.813  -3.920  13.397
  309   HG22  THR  44          HG22      THR  44  45.489  -4.591  11.914
  310   HG23  THR  44          HG23      THR  44  44.065  -3.556  11.843
  311    H    GLY  45           HN       GLY  45  49.148  -3.103  14.246
  312    HA2  GLY  45           HA2      GLY  45  50.635  -1.603  15.235
  313    HA3  GLY  45           HA1      GLY  45  49.911  -0.302  14.294
  314    H    ASN  46           HN       ASN  46  47.250  -1.603  15.389
  315    HA   ASN  46           HA       ASN  46  47.071   0.218  17.660
  316    HB2  ASN  46           HB2      ASN  46  45.010  -1.477  16.235
  317    HB3  ASN  46           HB1      ASN  46  44.649  -0.429  17.606
  318   HD21  ASN  46          HD21      ASN  46  46.230  -0.246  14.364
  319   HD22  ASN  46          HD22      ASN  46  45.680   1.325  14.030
  320    H    GLY  47           HN       GLY  47  48.195  -2.806  17.327
  321    HA2  GLY  47           HA2      GLY  47  46.967  -3.837  19.807
  322    HA3  GLY  47           HA1      GLY  47  47.809  -4.812  18.607
  323    H    LEU  48           HN       LEU  48  50.076  -3.149  18.252
  324    HA   LEU  48           HA       LEU  48  51.472  -3.706  20.780
  325    HB2  LEU  48           HB2      LEU  48  53.065  -2.843  18.461
  326    HB3  LEU  48           HB1      LEU  48  53.299  -4.214  19.544
  327    HG   LEU  48           HG       LEU  48  51.323  -4.060  17.248
  328   HD11  LEU  48          HD11      LEU  48  53.790  -4.414  16.735
  329   HD12  LEU  48          HD12      LEU  48  52.713  -5.698  16.185
  330   HD13  LEU  48          HD13      LEU  48  53.677  -5.921  17.645
  331   HD21  LEU  48          HD21      LEU  48  51.520  -6.693  18.145
  332   HD22  LEU  48          HD22      LEU  48  50.165  -5.602  18.439
  333   HD23  LEU  48          HD23      LEU  48  51.454  -5.750  19.634
  334    H    VAL  49           HN       VAL  49  49.749  -1.356  20.403
  335    HA   VAL  49           HA       VAL  49  51.755   0.686  21.076
  336    HB   VAL  49           HB       VAL  49  49.508   1.069  19.086
  337   HG11  VAL  49          HG11      VAL  49  49.613   3.081  20.336
  338   HG12  VAL  49          HG12      VAL  49  50.636   3.386  18.931
  339   HG13  VAL  49          HG13      VAL  49  51.368   2.992  20.487
  340   HG21  VAL  49          HG21      VAL  49  51.496  -0.030  18.148
  341   HG22  VAL  49          HG22      VAL  49  52.529   1.222  18.836
  342   HG23  VAL  49          HG23      VAL  49  51.386   1.628  17.556
  343    H    LEU  50           HN       LEU  50  48.274  -0.045  20.858
  344    HA   LEU  50           HA       LEU  50  47.795   1.638  23.219
  345    HB2  LEU  50           HB2      LEU  50  46.329   1.989  21.279
  346    HB3  LEU  50           HB1      LEU  50  45.842   0.295  21.336
  347    HG   LEU  50           HG       LEU  50  45.558   1.586  23.933
  348   HD11  LEU  50          HD11      LEU  50  43.642   3.019  23.299
  349   HD12  LEU  50          HD12      LEU  50  43.963   2.686  21.597
  350   HD13  LEU  50          HD13      LEU  50  45.138   3.585  22.557
  351   HD21  LEU  50          HD21      LEU  50  44.544  -0.572  23.284
  352   HD22  LEU  50          HD22      LEU  50  43.602   0.245  22.037
  353   HD23  LEU  50          HD23      LEU  50  43.302   0.595  23.739
  354    H    TRP  51           HN       TRP  51  46.566  -1.508  22.054
  355    HA   TRP  51           HA       TRP  51  45.621  -2.523  24.420
  356    HB2  TRP  51           HB2      TRP  51  45.283  -3.754  22.391
  357    HB3  TRP  51           HB1      TRP  51  47.020  -3.952  22.153
  358    HD1  TRP  51           HD1      TRP  51  48.183  -5.932  23.327
  359    HE1  TRP  51           HE1      TRP  51  47.385  -7.828  24.881
  360    HE3  TRP  51           HE3      TRP  51  43.460  -4.292  24.370
  361    HZ2  TRP  51           HZ2      TRP  51  45.053  -8.554  26.370
  362    HZ3  TRP  51           HZ3      TRP  51  41.974  -5.604  25.857
  363    HH2  TRP  51           HH2      TRP  51  42.764  -7.731  26.857
  364    H    THR  52           HN       THR  52  48.885  -1.871  23.587
  365    HA   THR  52           HA       THR  52  50.076  -3.699  25.480
  366    HB   THR  52           HB       THR  52  51.300  -2.987  23.468
  367    HG1  THR  52           HG1      THR  52  52.675  -1.779  25.576
  368   HG21  THR  52          HG21      THR  52  51.573  -0.816  22.873
  369   HG22  THR  52          HG22      THR  52  51.923  -0.312  24.526
  370   HG23  THR  52          HG23      THR  52  50.252  -0.505  23.999
  371    H    VAL  53           HN       VAL  53  48.047  -1.554  26.282
  372    HA   VAL  53           HA       VAL  53  49.676  -0.061  28.230
  373    HB   VAL  53           HB       VAL  53  46.800   0.290  27.352
  374   HG11  VAL  53          HG11      VAL  53  47.120   2.478  28.680
  375   HG12  VAL  53          HG12      VAL  53  48.497   1.673  29.433
  376   HG13  VAL  53          HG13      VAL  53  46.875   1.003  29.614
  377   HG21  VAL  53          HG21      VAL  53  47.581   1.793  25.847
  378   HG22  VAL  53          HG22      VAL  53  49.160   1.046  26.099
  379   HG23  VAL  53          HG23      VAL  53  48.710   2.488  27.011
  380    H    PHE  54           HN       PHE  54  46.451  -1.599  28.217
  381    HA   PHE  54           HA       PHE  54  46.659  -2.149  31.060
  382    HB2  PHE  54           HB2      PHE  54  44.524  -2.556  28.976
  383    HB3  PHE  54           HB1      PHE  54  44.385  -3.280  30.578
  384    HD1  PHE  54           HD1      PHE  54  44.695  -1.711  32.619
  385    HD2  PHE  54           HD2      PHE  54  43.908  -0.313  28.634
  386    HE1  PHE  54           HE1      PHE  54  43.920   0.459  33.534
  387    HE2  PHE  54           HE2      PHE  54  43.132   1.858  29.549
  388    HZ   PHE  54           HZ       PHE  54  43.138   2.244  31.999
  389    H    ARG  55           HN       ARG  55  48.715  -3.467  30.145
  390    HA   ARG  55           HA       ARG  55  48.044  -6.234  30.593
  391    HB2  ARG  55           HB2      ARG  55  47.668  -5.782  28.080
  392    HB3  ARG  55           HB1      ARG  55  49.420  -5.640  27.983
  393    HG2  ARG  55           HG2      ARG  55  49.133  -7.909  27.555
  394    HG3  ARG  55           HG1      ARG  55  49.398  -7.916  29.298
  395    HD2  ARG  55           HD2      ARG  55  46.695  -7.540  29.198
  396    HD3  ARG  55           HD1      ARG  55  46.945  -8.524  27.760
  397    HE   ARG  55           HE       ARG  55  47.343  -9.341  30.523
  398   HH11  ARG  55          HH21      ARG  55  47.908  -9.936  27.161
  399   HH12  ARG  55          HH22      ARG  55  48.207 -11.629  27.370
  400   HH21  ARG  55          HH11      ARG  55  47.730 -11.562  30.804
  401   HH22  ARG  55          HH12      ARG  55  48.107 -12.549  29.432
  402    H    LYS  56           HN       LYS  56  50.560  -4.048  29.329
  403    HA   LYS  56           HA       LYS  56  52.716  -5.617  30.385
  404    HB2  LYS  56           HB2      LYS  56  52.936  -2.705  29.665
  405    HB3  LYS  56           HB1      LYS  56  54.139  -3.985  29.489
  406    HG2  LYS  56           HG2      LYS  56  51.585  -3.668  27.887
  407    HG3  LYS  56           HG1      LYS  56  53.234  -3.477  27.293
  408    HD2  LYS  56           HD2      LYS  56  53.631  -5.895  28.013
  409    HD3  LYS  56           HD1      LYS  56  51.884  -6.018  28.225
  410    HE2  LYS  56           HE2      LYS  56  51.822  -6.562  26.028
  411    HE3  LYS  56           HE1      LYS  56  52.108  -4.847  25.732
  412    HZ1  LYS  56           HZ1      LYS  56  53.771  -5.960  24.554
  413    HZ2  LYS  56           HZ2      LYS  56  54.083  -7.047  25.822
  414    HZ3  LYS  56           HZ3      LYS  56  54.549  -5.419  25.962
  415    H    LYS  57           HN       LYS  57  50.633  -3.159  31.629
  416    HA   LYS  57           HA       LYS  57  52.343  -2.202  33.708
  417    HB2  LYS  57           HB2      LYS  57  50.294  -1.224  34.642
  418    HB3  LYS  57           HB1      LYS  57  50.396  -0.921  32.907
  419    HG2  LYS  57           HG2      LYS  57  48.362  -1.863  32.695
  420    HG3  LYS  57           HG1      LYS  57  49.093  -3.402  33.154
  421    HD2  LYS  57           HD2      LYS  57  47.261  -2.992  34.671
  422    HD3  LYS  57           HD1      LYS  57  48.759  -2.742  35.569
  423    HE2  LYS  57           HE2      LYS  57  48.018  -0.683  36.097
  424    HE3  LYS  57           HE1      LYS  57  48.169  -0.253  34.394
  425    HZ1  LYS  57           HZ1      LYS  57  45.929  -1.034  34.016
  426    HZ2  LYS  57           HZ2      LYS  57  45.931   0.142  35.242
  427    HZ3  LYS  57           HZ3      LYS  57  45.781  -1.504  35.639
  428    H    GLY  58           HN       GLY  58  50.888  -5.168  33.226
  429    HA2  GLY  58           HA2      GLY  58  51.738  -6.431  35.487
  430    HA3  GLY  58           HA1      GLY  58  50.172  -5.775  35.953
  431    H    HIS  59           HN       HIS  59  51.838  -8.164  34.082
  432    HA   HIS  59           HA       HIS  59  49.921  -9.117  32.345
  433    HB2  HIS  59           HB2      HIS  59  52.375 -10.018  33.301
  434    HB3  HIS  59           HB1      HIS  59  51.245 -11.300  33.741
  435    HD2  HIS  59           HD2      HIS  59  52.252  -9.354  30.415
  436    HE1  HIS  59           HE1      HIS  59  50.668 -13.130  29.387
  437    HE2  HIS  59           HE2      HIS  59  51.742 -11.019  28.470
  438    H    HIS  60           HN       HIS  60  49.940  -9.223  35.806
  439    HA   HIS  60           HA       HIS  60  47.361 -10.657  35.746
  440    HB2  HIS  60           HB2      HIS  60  48.413 -12.403  36.716
  441    HB3  HIS  60           HB1      HIS  60  49.843 -11.445  37.097
  442    HD2  HIS  60           HD2      HIS  60  49.848 -10.291  39.683
  443    HE1  HIS  60           HE1      HIS  60  46.186 -11.972  40.943
  444    HE2  HIS  60           HE2      HIS  60  48.242 -10.691  41.703
  445    H    HIS  61           HN       HIS  61  49.536  -8.994  38.043
  446    HA   HIS  61           HA       HIS  61  47.990  -6.734  38.482
  447    HB2  HIS  61           HB2      HIS  61  46.909  -9.118  39.770
  448    HB3  HIS  61           HB1      HIS  61  47.264  -7.832  40.922
  449    HD2  HIS  61           HD2      HIS  61  44.503  -8.747  38.472
  450    HE1  HIS  61           HE1      HIS  61  44.083  -4.601  39.154
  451    HE2  HIS  61           HE2      HIS  61  42.969  -6.656  38.163
  452    H    HIS  62           HN       HIS  62  49.630  -5.489  39.113
  453    HA   HIS  62           HA       HIS  62  51.633  -6.562  40.976
  454    HB2  HIS  62           HB2      HIS  62  53.006  -4.673  40.317
  455    HB3  HIS  62           HB1      HIS  62  52.388  -5.466  38.867
  456    HD2  HIS  62           HD2      HIS  62  50.015  -4.058  37.756
  457    HE1  HIS  62           HE1      HIS  62  51.138  -0.378  39.492
  458    HE2  HIS  62           HE2      HIS  62  49.619  -1.477  37.780
  459    H    HIS  63           HN       HIS  63  52.192  -3.561  41.491
  460    HA   HIS  63           HA       HIS  63  49.985  -2.853  43.261
  461    HB2  HIS  63           HB2      HIS  63  52.613  -3.887  44.212
  462    HB3  HIS  63           HB1      HIS  63  51.909  -2.522  45.082
  463    HD2  HIS  63           HD2      HIS  63  51.530  -6.325  44.948
  464    HE1  HIS  63           HE1      HIS  63  48.044  -4.875  46.837
  465    HE2  HIS  63           HE2      HIS  63  49.397  -6.960  46.314
  466    H    HIS  64           HN       HIS  64  49.652  -0.774  42.827
  467    HA   HIS  64           HA       HIS  64  51.366   0.937  41.466
  468    HB2  HIS  64           HB2      HIS  64  48.799   1.099  42.525
  469    HB3  HIS  64           HB1      HIS  64  49.691   2.361  43.375
  470    HD2  HIS  64           HD2      HIS  64  51.637   3.296  40.835
  471    HE1  HIS  64           HE1      HIS  64  47.983   4.023  38.848
  472    HE2  HIS  64           HE2      HIS  64  50.476   4.507  38.834
  Start of MODEL   34
    1    H1   MET   1           HT1      MET   1  72.237   8.665  -3.700
    2    H2   MET   1           HT2      MET   1  73.847   8.122  -3.638
    3    H3   MET   1           HT3      MET   1  72.734   7.372  -4.680
    4    HA   MET   1           HA       MET   1  74.428   9.515  -5.233
    5    HB2  MET   1           HB2      MET   1  72.143   8.277  -6.799
    6    HB3  MET   1           HB1      MET   1  73.433   9.266  -7.484
    7    HG2  MET   1           HG2      MET   1  74.811   7.491  -7.580
    8    HG3  MET   1           HG1      MET   1  74.567   7.162  -5.864
    9    HE1  MET   1           HE1      MET   1  71.745   5.937  -9.233
   10    HE2  MET   1           HE2      MET   1  73.471   5.989  -9.588
   11    HE3  MET   1           HE3      MET   1  72.654   7.440  -9.014
   12    H    GLU   2           HN       GLU   2  70.857   9.363  -5.272
   13    HA   GLU   2           HA       GLU   2  69.264  11.003  -5.042
   14    HB2  GLU   2           HB2      GLU   2  70.874  11.543  -3.053
   15    HB3  GLU   2           HB1      GLU   2  71.358  12.913  -4.053
   16    HG2  GLU   2           HG2      GLU   2  68.914  13.509  -4.268
   17    HG3  GLU   2           HG1      GLU   2  68.568  12.263  -3.069
   18    H    GLU   3           HN       GLU   3  68.427  12.031  -6.731
   19    HA   GLU   3           HA       GLU   3  70.233  13.413  -8.597
   20    HB2  GLU   3           HB2      GLU   3  67.316  12.760  -9.025
   21    HB3  GLU   3           HB1      GLU   3  68.529  13.156 -10.242
   22    HG2  GLU   3           HG2      GLU   3  69.773  11.053  -9.231
   23    HG3  GLU   3           HG1      GLU   3  68.149  10.614  -8.702
   24    H    GLY   4           HN       GLY   4  66.966  13.901  -7.231
   25    HA2  GLY   4           HA2      GLY   4  67.182  16.313  -6.041
   26    HA3  GLY   4           HA1      GLY   4  67.103  16.754  -7.744
   27    H    GLY   5           HN       GLY   5  65.444  14.266  -5.797
   28    HA2  GLY   5           HA2      GLY   5  62.892  15.127  -6.987
   29    HA3  GLY   5           HA1      GLY   5  63.193  13.578  -6.204
   30    H    ASP   6           HN       ASP   6  61.260  13.974  -4.953
   31    HA   ASP   6           HA       ASP   6  61.823  15.629  -2.584
   32    HB2  ASP   6           HB2      ASP   6  59.465  15.816  -4.413
   33    HB3  ASP   6           HB1      ASP   6  59.222  16.075  -2.687
   34    H    PHE   7           HN       PHE   7  60.012  13.008  -4.088
   35    HA   PHE   7           HA       PHE   7  59.847  11.697  -1.457
   36    HB2  PHE   7           HB2      PHE   7  57.533  10.895  -2.131
   37    HB3  PHE   7           HB1      PHE   7  57.653  12.599  -1.689
   38    HD1  PHE   7           HD2      PHE   7  57.873  14.334  -3.526
   39    HD2  PHE   7           HD1      PHE   7  56.850  10.238  -4.311
   40    HE1  PHE   7           HE2      PHE   7  57.011  14.977  -5.761
   41    HE2  PHE   7           HE1      PHE   7  55.989  10.881  -6.546
   42    HZ   PHE   7           HZ       PHE   7  56.069  13.250  -7.271
   43    H    ASP   8           HN       ASP   8  61.791  11.063  -3.198
   44    HA   ASP   8           HA       ASP   8  61.169   8.322  -3.852
   45    HB2  ASP   8           HB2      ASP   8  60.336   9.339  -5.880
   46    HB3  ASP   8           HB1      ASP   8  61.806  10.298  -6.052
   47    H    ASN   9           HN       ASN   9  62.877   8.771  -2.017
   48    HA   ASN   9           HA       ASN   9  65.434   8.040  -3.133
   49    HB2  ASN   9           HB2      ASN   9  65.011  10.726  -1.842
   50    HB3  ASN   9           HB1      ASN   9  66.581   9.926  -1.789
   51   HD21  ASN   9          HD21      ASN   9  65.330  12.348  -3.410
   52   HD22  ASN   9          HD22      ASN   9  65.889  12.049  -4.985
   53    H    TYR  10           HN       TYR  10  63.849   6.508  -1.621
   54    HA   TYR  10           HA       TYR  10  63.520   5.490   0.431
   55    HB2  TYR  10           HB2      TYR  10  65.769   4.718   1.330
   56    HB3  TYR  10           HB1      TYR  10  65.407   4.318  -0.349
   57    HD1  TYR  10           HD1      TYR  10  66.487   5.521  -2.202
   58    HD2  TYR  10           HD2      TYR  10  67.483   6.353   1.893
   59    HE1  TYR  10           HE1      TYR  10  68.522   6.730  -2.942
   60    HE2  TYR  10           HE2      TYR  10  69.518   7.562   1.153
   61    HH   TYR  10           HH       TYR  10  70.995   7.682  -0.746
   62    H    TYR  11           HN       TYR  11  63.179   8.230   0.749
   63    HA   TYR  11           HA       TYR  11  64.513   9.757   2.489
   64    HB2  TYR  11           HB2      TYR  11  62.001   9.914   3.605
   65    HB3  TYR  11           HB1      TYR  11  62.532  10.788   2.168
   66    HD1  TYR  11           HD2      TYR  11  61.721   7.171   2.765
   67    HD2  TYR  11           HD1      TYR  11  60.819  10.756   0.575
   68    HE1  TYR  11           HE2      TYR  11  60.087   5.918   1.386
   69    HE2  TYR  11           HE1      TYR  11  59.183   9.502  -0.802
   70    HH   TYR  11           HH       TYR  11  57.882   7.517  -0.757
   71    H    GLY  12           HN       GLY  12  65.861   8.510   3.832
   72    HA2  GLY  12           HA2      GLY  12  66.442   7.216   5.670
   73    HA3  GLY  12           HA1      GLY  12  65.281   8.272   6.469
   74    H    ALA  13           HN       ALA  13  64.993   5.576   4.140
   75    HA   ALA  13           HA       ALA  13  63.834   3.764   5.986
   76    HB1  ALA  13           HB1      ALA  13  61.563   4.046   4.428
   77    HB2  ALA  13           HB2      ALA  13  62.037   5.712   4.761
   78    HB3  ALA  13           HB3      ALA  13  61.746   4.595   6.094
   79    H    ASP  14           HN       ASP  14  64.854   2.067   5.085
   80    HA   ASP  14           HA       ASP  14  63.902   0.913   2.687
   81    HB2  ASP  14           HB2      ASP  14  66.179   1.084   1.475
   82    HB3  ASP  14           HB1      ASP  14  65.096   2.474   1.405
   83    H    ASN  15           HN       ASN  15  64.067  -0.215   5.072
   84    HA   ASN  15           HA       ASN  15  65.905  -2.397   4.654
   85    HB2  ASN  15           HB2      ASN  15  67.409  -0.811   5.758
   86    HB3  ASN  15           HB1      ASN  15  66.258  -0.618   7.078
   87   HD21  ASN  15          HD21      ASN  15  66.188  -3.829   5.974
   88   HD22  ASN  15          HD22      ASN  15  67.233  -4.504   7.128
   89    H    GLN  16           HN       GLN  16  65.377  -2.017   7.917
   90    HA   GLN  16           HA       GLN  16  64.224  -3.524   9.292
   91    HB2  GLN  16           HB2      GLN  16  61.856  -2.706   9.491
   92    HB3  GLN  16           HB1      GLN  16  63.080  -1.445   9.592
   93    HG2  GLN  16           HG2      GLN  16  61.798  -2.149   6.956
   94    HG3  GLN  16           HG1      GLN  16  61.018  -1.030   8.070
   95   HE21  GLN  16          HE21      GLN  16  64.314  -0.682   8.569
   96   HE22  GLN  16          HE22      GLN  16  64.603   0.612   7.511
   97    H    SER  17           HN       SER  17  64.759  -5.073   7.192
   98    HA   SER  17           HA       SER  17  64.045  -7.138   6.414
   99    HB2  SER  17           HB2      SER  17  62.202  -6.770   8.312
  100    HB3  SER  17           HB1      SER  17  61.165  -6.556   6.905
  101    HG   SER  17           HG       SER  17  61.809  -8.576   6.175
  102    H    GLU  18           HN       GLU  18  64.475  -4.945   4.810
  103    HA   GLU  18           HA       GLU  18  62.288  -4.526   2.988
  104    HB2  GLU  18           HB2      GLU  18  63.961  -2.784   3.336
  105    HB3  GLU  18           HB1      GLU  18  65.232  -3.864   2.766
  106    HG2  GLU  18           HG2      GLU  18  64.677  -3.568   0.581
  107    HG3  GLU  18           HG1      GLU  18  62.948  -3.593   0.920
  108    H    CYS  19           HN       CYS  19  62.020  -5.363   0.933
  109    HA   CYS  19           HA       CYS  19  63.896  -7.030  -0.386
  110    HB2  CYS  19           HB2      CYS  19  62.678  -9.187  -0.141
  111    HB3  CYS  19           HB1      CYS  19  63.396  -8.631   1.371
  112    HG   CYS  19           HG       CYS  19  60.639  -9.328   1.308
  113    H    GLU  20           HN       GLU  20  62.751  -5.060  -1.552
  114    HA   GLU  20           HA       GLU  20  60.580  -6.220  -3.190
  115    HB2  GLU  20           HB2      GLU  20  60.734  -3.561  -1.838
  116    HB3  GLU  20           HB1      GLU  20  59.958  -3.652  -3.420
  117    HG2  GLU  20           HG2      GLU  20  58.322  -3.977  -1.591
  118    HG3  GLU  20           HG1      GLU  20  58.456  -5.415  -2.603
  119    H    TYR  21           HN       TYR  21  63.663  -5.654  -3.306
  120    HA   TYR  21           HA       TYR  21  63.750  -4.040  -5.752
  121    HB2  TYR  21           HB2      TYR  21  65.804  -5.048  -3.810
  122    HB3  TYR  21           HB1      TYR  21  66.292  -4.552  -5.431
  123    HD1  TYR  21           HD1      TYR  21  64.766  -3.429  -2.255
  124    HD2  TYR  21           HD2      TYR  21  66.195  -2.236  -6.126
  125    HE1  TYR  21           HE1      TYR  21  64.669  -1.051  -1.557
  126    HE2  TYR  21           HE2      TYR  21  66.098   0.142  -5.429
  127    HH   TYR  21           HH       TYR  21  64.417   1.324  -3.159
  128    H    THR  22           HN       THR  22  64.438  -7.312  -4.592
  129    HA   THR  22           HA       THR  22  64.313  -8.256  -7.376
  130    HB   THR  22           HB       THR  22  66.268  -9.730  -5.789
  131    HG1  THR  22           HG1      THR  22  66.919  -7.085  -6.547
  132   HG21  THR  22          HG21      THR  22  65.882  -9.910  -8.249
  133   HG22  THR  22          HG22      THR  22  67.554  -9.521  -7.846
  134   HG23  THR  22          HG23      THR  22  66.470  -8.257  -8.430
  135    H    ASP  23           HN       ASP  23  62.549  -8.299  -4.943
  136    HA   ASP  23           HA       ASP  23  62.069 -11.207  -4.946
  137    HB2  ASP  23           HB2      ASP  23  62.493  -9.424  -2.586
  138    HB3  ASP  23           HB1      ASP  23  61.317 -10.730  -2.456
  139    H    TRP  24           HN       TRP  24  60.932  -8.307  -5.780
  140    HA   TRP  24           HA       TRP  24  58.225  -8.515  -4.756
  141    HB2  TRP  24           HB2      TRP  24  57.805  -6.477  -5.936
  142    HB3  TRP  24           HB1      TRP  24  59.412  -6.327  -5.225
  143    HD1  TRP  24           HD1      TRP  24  61.496  -7.036  -6.949
  144    HE1  TRP  24           HE1      TRP  24  61.727  -6.501  -9.461
  145    HE3  TRP  24           HE3      TRP  24  56.620  -6.031  -8.091
  146    HZ2  TRP  24           HZ2      TRP  24  60.064  -5.746 -11.662
  147    HZ3  TRP  24           HZ3      TRP  24  55.973  -5.407 -10.400
  148    HH2  TRP  24           HH2      TRP  24  57.687  -5.265 -12.185
  149    H    LYS  25           HN       LYS  25  59.786 -10.331  -6.892
  150    HA   LYS  25           HA       LYS  25  57.347 -10.861  -8.433
  151    HB2  LYS  25           HB2      LYS  25  58.998 -11.209 -10.451
  152    HB3  LYS  25           HB1      LYS  25  58.374  -9.601 -10.085
  153    HG2  LYS  25           HG2      LYS  25  60.831  -9.584 -10.463
  154    HG3  LYS  25           HG1      LYS  25  60.411  -9.064  -8.833
  155    HD2  LYS  25           HD2      LYS  25  61.074 -11.131  -7.880
  156    HD3  LYS  25           HD1      LYS  25  61.072 -11.945  -9.446
  157    HE2  LYS  25           HE2      LYS  25  62.988 -10.598 -10.173
  158    HE3  LYS  25           HE1      LYS  25  62.974  -9.723  -8.643
  159    HZ1  LYS  25           HZ1      LYS  25  64.161 -11.328  -7.721
  160    HZ2  LYS  25           HZ2      LYS  25  64.255 -12.120  -9.221
  161    HZ3  LYS  25           HZ3      LYS  25  62.999 -12.491  -8.138
  162    H    SER  26           HN       SER  26  59.166 -12.094  -6.270
  163    HA   SER  26           HA       SER  26  59.092 -14.792  -7.405
  164    HB2  SER  26           HB2      SER  26  61.407 -15.136  -6.251
  165    HB3  SER  26           HB1      SER  26  61.345 -14.408  -7.853
  166    HG   SER  26           HG       SER  26  62.195 -13.363  -5.507
  167    H    SER  27           HN       SER  27  60.894 -13.972  -4.539
  168    HA   SER  27           HA       SER  27  59.240 -15.656  -2.907
  169    HB2  SER  27           HB2      SER  27  61.536 -13.804  -2.241
  170    HB3  SER  27           HB1      SER  27  60.739 -14.841  -1.062
  171    HG   SER  27           HG       SER  27  61.846 -16.446  -1.824
  172    H    GLY  28           HN       GLY  28  58.259 -12.992  -4.159
  173    HA2  GLY  28           HA2      GLY  28  56.849 -12.099  -1.731
  174    HA3  GLY  28           HA1      GLY  28  57.638 -10.902  -2.754
  175    H    ALA  29           HN       ALA  29  56.122 -13.770  -4.062
  176    HA   ALA  29           HA       ALA  29  54.149 -12.048  -5.416
  177    HB1  ALA  29           HB1      ALA  29  55.076 -13.195  -7.153
  178    HB2  ALA  29           HB2      ALA  29  53.914 -14.431  -6.670
  179    HB3  ALA  29           HB3      ALA  29  55.590 -14.537  -6.130
  180    H    LEU  30           HN       LEU  30  54.409 -14.130  -2.820
  181    HA   LEU  30           HA       LEU  30  51.494 -14.569  -2.812
  182    HB2  LEU  30           HB2      LEU  30  52.135 -16.805  -1.604
  183    HB3  LEU  30           HB1      LEU  30  52.145 -16.731  -3.366
  184    HG   LEU  30           HG       LEU  30  54.664 -15.935  -2.000
  185   HD11  LEU  30          HD11      LEU  30  53.720 -18.814  -2.167
  186   HD12  LEU  30          HD12      LEU  30  53.996 -17.902  -0.683
  187   HD13  LEU  30          HD13      LEU  30  55.352 -18.302  -1.739
  188   HD21  LEU  30          HD21      LEU  30  54.088 -16.165  -4.549
  189   HD22  LEU  30          HD22      LEU  30  54.320 -17.890  -4.264
  190   HD23  LEU  30          HD23      LEU  30  55.643 -16.762  -3.965
  191    H    ILE  31           HN       ILE  31  54.417 -13.791  -1.176
  192    HA   ILE  31           HA       ILE  31  53.497 -14.157   1.494
  193    HB   ILE  31           HB       ILE  31  55.876 -13.078   0.169
  194   HG12  ILE  31          HG12      ILE  31  56.952 -14.163   2.086
  195   HG13  ILE  31          HG11      ILE  31  55.386 -14.356   2.873
  196   HG21  ILE  31          HG21      ILE  31  56.585 -11.774   2.201
  197   HG22  ILE  31          HG22      ILE  31  54.920 -11.835   2.771
  198   HG23  ILE  31          HG23      ILE  31  55.313 -10.989   1.270
  199   HD11  ILE  31          HD11      ILE  31  56.531 -16.257   1.284
  200   HD12  ILE  31          HD12      ILE  31  55.528 -15.402   0.113
  201   HD13  ILE  31          HD13      ILE  31  54.793 -16.112   1.549
  202    HA   PRO  32           HA       PRO  32  52.260  -9.591   1.292
  203    HB2  PRO  32           HB2      PRO  32  52.214  -8.287  -1.083
  204    HB3  PRO  32           HB1      PRO  32  53.695  -8.467  -0.124
  205    HG2  PRO  32           HG2      PRO  32  52.889  -9.821  -2.610
  206    HG3  PRO  32           HG1      PRO  32  54.505  -9.486  -1.975
  207    HD2  PRO  32           HD2      PRO  32  53.083 -11.957  -1.844
  208    HD3  PRO  32           HD1      PRO  32  54.641 -11.573  -1.084
  209    H    ALA  33           HN       ALA  33  51.012 -12.065  -0.493
  210    HA   ALA  33           HA       ALA  33  48.562 -10.726  -1.348
  211    HB1  ALA  33           HB1      ALA  33  49.929 -12.811  -2.414
  212    HB2  ALA  33           HB2      ALA  33  48.208 -12.533  -2.683
  213    HB3  ALA  33           HB3      ALA  33  48.735 -13.676  -1.448
  214    H    ILE  34           HN       ILE  34  49.720 -11.848   1.512
  215    HA   ILE  34           HA       ILE  34  46.998 -12.311   2.531
  216    HB   ILE  34           HB       ILE  34  48.847 -13.943   3.996
  217   HG12  ILE  34          HG12      ILE  34  48.731 -14.459   1.005
  218   HG13  ILE  34          HG11      ILE  34  50.167 -13.969   1.907
  219   HG21  ILE  34          HG21      ILE  34  47.216 -15.670   3.477
  220   HG22  ILE  34          HG22      ILE  34  46.575 -14.714   2.141
  221   HG23  ILE  34          HG23      ILE  34  46.353 -14.167   3.803
  222   HD11  ILE  34          HD11      ILE  34  49.906 -16.038   3.312
  223   HD12  ILE  34          HD12      ILE  34  50.252 -16.371   1.615
  224   HD13  ILE  34          HD13      ILE  34  48.609 -16.547   2.231
  225    H    TYR  35           HN       TYR  35  50.400 -12.071   3.604
  226    HA   TYR  35           HA       TYR  35  50.083 -11.182   6.160
  227    HB2  TYR  35           HB2      TYR  35  52.102 -10.614   4.044
  228    HB3  TYR  35           HB1      TYR  35  52.135  -9.613   5.495
  229    HD1  TYR  35           HD2      TYR  35  51.234 -13.219   5.037
  230    HD2  TYR  35           HD1      TYR  35  53.922 -10.377   6.812
  231    HE1  TYR  35           HE2      TYR  35  52.350 -15.051   6.280
  232    HE2  TYR  35           HE1      TYR  35  55.038 -12.209   8.054
  233    HH   TYR  35           HH       TYR  35  55.046 -14.376   8.516
  234    H    MET  36           HN       MET  36  49.493  -9.386   3.210
  235    HA   MET  36           HA       MET  36  49.265  -6.814   4.439
  236    HB2  MET  36           HB2      MET  36  48.070  -7.784   1.831
  237    HB3  MET  36           HB1      MET  36  48.317  -6.105   2.313
  238    HG2  MET  36           HG2      MET  36  50.552  -8.135   2.042
  239    HG3  MET  36           HG1      MET  36  50.109  -6.980   0.786
  240    HE1  MET  36           HE1      MET  36  52.593  -7.722   3.163
  241    HE2  MET  36           HE2      MET  36  53.466  -6.193   3.098
  242    HE3  MET  36           HE3      MET  36  52.978  -6.985   1.601
  243    H    LEU  37           HN       LEU  37  47.052  -9.459   3.776
  244    HA   LEU  37           HA       LEU  37  44.665  -7.986   4.384
  245    HB2  LEU  37           HB2      LEU  37  45.343 -10.868   3.929
  246    HB3  LEU  37           HB1      LEU  37  43.787 -10.449   4.647
  247    HG   LEU  37           HG       LEU  37  44.673  -8.951   2.213
  248   HD11  LEU  37          HD11      LEU  37  43.536 -10.748   0.833
  249   HD12  LEU  37          HD12      LEU  37  43.614 -11.787   2.256
  250   HD13  LEU  37          HD13      LEU  37  45.100 -11.210   1.503
  251   HD21  LEU  37          HD21      LEU  37  42.400  -8.534   1.975
  252   HD22  LEU  37          HD22      LEU  37  42.504  -8.708   3.726
  253   HD23  LEU  37          HD23      LEU  37  41.937 -10.055   2.738
  254    H    VAL  38           HN       VAL  38  47.179  -8.996   6.298
  255    HA   VAL  38           HA       VAL  38  45.463  -8.934   8.697
  256    HB   VAL  38           HB       VAL  38  47.681 -10.617   9.253
  257   HG11  VAL  38          HG11      VAL  38  45.520 -10.699  10.387
  258   HG12  VAL  38          HG12      VAL  38  45.852 -12.270   9.657
  259   HG13  VAL  38          HG13      VAL  38  44.720 -11.162   8.886
  260   HG21  VAL  38          HG21      VAL  38  46.113 -11.445   6.788
  261   HG22  VAL  38          HG22      VAL  38  47.273 -12.452   7.654
  262   HG23  VAL  38          HG23      VAL  38  47.820 -11.001   6.813
  263    H    PHE  39           HN       PHE  39  48.944  -9.273   7.983
  264    HA   PHE  39           HA       PHE  39  50.031  -7.918  10.065
  265    HB2  PHE  39           HB2      PHE  39  51.131  -8.945   7.914
  266    HB3  PHE  39           HB1      PHE  39  51.069  -7.284   7.325
  267    HD1  PHE  39           HD2      PHE  39  52.500  -9.548   9.857
  268    HD2  PHE  39           HD1      PHE  39  52.378  -5.516   8.379
  269    HE1  PHE  39           HE2      PHE  39  54.503  -8.992  11.208
  270    HE2  PHE  39           HE1      PHE  39  54.382  -4.960   9.731
  271    HZ   PHE  39           HZ       PHE  39  55.444  -6.698  11.146
  272    H    LEU  40           HN       LEU  40  48.874  -6.394   7.056
  273    HA   LEU  40           HA       LEU  40  49.003  -3.770   8.392
  274    HB2  LEU  40           HB2      LEU  40  48.993  -4.650   5.521
  275    HB3  LEU  40           HB1      LEU  40  48.489  -3.013   5.945
  276    HG   LEU  40           HG       LEU  40  51.006  -4.005   7.186
  277   HD11  LEU  40          HD11      LEU  40  52.138  -3.072   5.004
  278   HD12  LEU  40          HD12      LEU  40  50.612  -3.530   4.246
  279   HD13  LEU  40          HD13      LEU  40  51.597  -4.748   5.054
  280   HD21  LEU  40          HD21      LEU  40  49.858  -1.697   7.438
  281   HD22  LEU  40          HD22      LEU  40  50.446  -1.378   5.806
  282   HD23  LEU  40          HD23      LEU  40  51.591  -1.710   7.106
  283    H    LEU  41           HN       LEU  41  47.033  -4.891   9.559
  284    HA   LEU  41           HA       LEU  41  44.702  -3.506   8.694
  285    HB2  LEU  41           HB2      LEU  41  44.442  -5.258   7.076
  286    HB3  LEU  41           HB1      LEU  41  44.802  -6.500   8.274
  287    HG   LEU  41           HG       LEU  41  42.732  -6.090   9.438
  288   HD11  LEU  41          HD11      LEU  41  42.605  -3.660   7.652
  289   HD12  LEU  41          HD12      LEU  41  42.478  -3.738   9.409
  290   HD13  LEU  41          HD13      LEU  41  41.151  -4.317   8.402
  291   HD21  LEU  41          HD21      LEU  41  41.066  -6.447   7.585
  292   HD22  LEU  41          HD22      LEU  41  42.470  -7.509   7.494
  293   HD23  LEU  41          HD23      LEU  41  42.355  -6.107   6.430
  294    H    GLY  42           HN       GLY  42  45.436  -6.556  10.406
  295    HA2  GLY  42           HA2      GLY  42  43.675  -5.922  12.584
  296    HA3  GLY  42           HA1      GLY  42  44.790  -7.284  12.504
  297    H    THR  43           HN       THR  43  45.896  -4.018  11.982
  298    HA   THR  43           HA       THR  43  46.676  -3.497  14.689
  299    HB   THR  43           HB       THR  43  48.462  -4.935  14.591
  300    HG1  THR  43           HG1      THR  43  50.221  -3.593  13.379
  301   HG21  THR  43          HG21      THR  43  49.712  -5.197  12.292
  302   HG22  THR  43          HG22      THR  43  48.216  -4.541  11.627
  303   HG23  THR  43          HG23      THR  43  48.185  -6.038  12.558
  304    H    THR  44           HN       THR  44  48.787  -2.766  12.000
  305    HA   THR  44           HA       THR  44  49.482  -0.696  11.225
  306    HB   THR  44           HB       THR  44  48.004   0.005   9.654
  307    HG1  THR  44           HG1      THR  44  46.782   1.281  10.965
  308   HG21  THR  44          HG21      THR  44  46.442  -1.674   9.051
  309   HG22  THR  44          HG22      THR  44  46.171  -2.136  10.732
  310   HG23  THR  44          HG23      THR  44  47.698  -2.532   9.943
  311    H    GLY  45           HN       GLY  45  48.670  -0.880  14.147
  312    HA2  GLY  45           HA2      GLY  45  49.375   1.266  15.372
  313    HA3  GLY  45           HA1      GLY  45  47.935   1.941  14.617
  314    H    ASN  46           HN       ASN  46  45.935   0.395  14.940
  315    HA   ASN  46           HA       ASN  46  45.187   0.482  17.612
  316    HB2  ASN  46           HB2      ASN  46  43.293   0.163  16.424
  317    HB3  ASN  46           HB1      ASN  46  44.130  -0.724  15.152
  318   HD21  ASN  46          HD21      ASN  46  44.249  -3.048  15.333
  319   HD22  ASN  46          HD22      ASN  46  43.392  -3.905  16.521
  320    H    GLY  47           HN       GLY  47  47.287  -1.711  16.071
  321    HA2  GLY  47           HA2      GLY  47  46.876  -3.822  18.066
  322    HA3  GLY  47           HA1      GLY  47  47.906  -3.925  16.642
  323    H    LEU  48           HN       LEU  48  49.064  -1.231  17.266
  324    HA   LEU  48           HA       LEU  48  51.010  -2.172  19.265
  325    HB2  LEU  48           HB2      LEU  48  51.640   0.313  17.849
  326    HB3  LEU  48           HB1      LEU  48  52.607  -1.149  18.045
  327    HG   LEU  48           HG       LEU  48  50.352  -0.755  16.054
  328   HD11  LEU  48          HD11      LEU  48  53.297  -1.237  15.550
  329   HD12  LEU  48          HD12      LEU  48  52.588   0.377  15.612
  330   HD13  LEU  48          HD13      LEU  48  52.065  -0.769  14.378
  331   HD21  LEU  48          HD21      LEU  48  51.606  -3.140  17.167
  332   HD22  LEU  48          HD22      LEU  48  51.841  -3.044  15.422
  333   HD23  LEU  48          HD23      LEU  48  50.212  -3.013  16.094
  334    H    VAL  49           HN       VAL  49  48.265  -0.755  19.597
  335    HA   VAL  49           HA       VAL  49  49.176   1.582  21.140
  336    HB   VAL  49           HB       VAL  49  46.409   0.750  20.241
  337   HG11  VAL  49          HG11      VAL  49  45.845   1.988  22.086
  338   HG12  VAL  49          HG12      VAL  49  46.183   3.337  21.001
  339   HG13  VAL  49          HG13      VAL  49  47.411   2.798  22.147
  340   HG21  VAL  49          HG21      VAL  49  46.790   2.004  18.399
  341   HG22  VAL  49          HG22      VAL  49  48.494   2.006  18.854
  342   HG23  VAL  49          HG23      VAL  49  47.445   3.328  19.363
  343    H    LEU  50           HN       LEU  50  46.740  -1.013  21.487
  344    HA   LEU  50           HA       LEU  50  46.484  -0.752  24.286
  345    HB2  LEU  50           HB2      LEU  50  45.341  -2.904  24.201
  346    HB3  LEU  50           HB1      LEU  50  44.829  -1.904  22.841
  347    HG   LEU  50           HG       LEU  50  47.041  -3.212  21.825
  348   HD11  LEU  50          HD11      LEU  50  45.420  -5.281  23.320
  349   HD12  LEU  50          HD12      LEU  50  46.924  -4.622  23.964
  350   HD13  LEU  50          HD13      LEU  50  46.931  -5.512  22.441
  351   HD21  LEU  50          HD21      LEU  50  45.368  -4.529  20.558
  352   HD22  LEU  50          HD22      LEU  50  44.882  -2.839  20.689
  353   HD23  LEU  50          HD23      LEU  50  44.126  -4.055  21.717
  354    H    TRP  51           HN       TRP  51  49.111  -1.745  22.528
  355    HA   TRP  51           HA       TRP  51  50.037  -3.925  24.143
  356    HB2  TRP  51           HB2      TRP  51  50.839  -2.652  21.750
  357    HB3  TRP  51           HB1      TRP  51  52.192  -2.506  22.873
  358    HD1  TRP  51           HD1      TRP  51  49.714  -5.281  21.778
  359    HE1  TRP  51           HE1      TRP  51  51.018  -7.500  21.636
  360    HE3  TRP  51           HE3      TRP  51  54.330  -3.690  23.276
  361    HZ2  TRP  51           HZ2      TRP  51  53.668  -8.473  22.096
  362    HZ3  TRP  51           HZ3      TRP  51  56.224  -5.282  23.414
  363    HH2  TRP  51           HH2      TRP  51  55.898  -7.670  22.826
  364    H    THR  52           HN       THR  52  49.306  -1.134  25.290
  365    HA   THR  52           HA       THR  52  51.646  -0.990  27.076
  366    HB   THR  52           HB       THR  52  51.629   0.850  25.289
  367    HG1  THR  52           HG1      THR  52  51.426   1.721  27.973
  368   HG21  THR  52          HG21      THR  52  49.615   2.237  26.996
  369   HG22  THR  52          HG22      THR  52  49.017   1.076  25.811
  370   HG23  THR  52          HG23      THR  52  49.980   2.457  25.285
  371    H    VAL  53           HN       VAL  53  48.651  -1.893  26.997
  372    HA   VAL  53           HA       VAL  53  48.045  -0.837  29.673
  373    HB   VAL  53           HB       VAL  53  46.226  -0.745  27.269
  374   HG11  VAL  53          HG11      VAL  53  44.717  -1.642  28.780
  375   HG12  VAL  53          HG12      VAL  53  44.589   0.065  29.203
  376   HG13  VAL  53          HG13      VAL  53  45.585  -1.014  30.180
  377   HG21  VAL  53          HG21      VAL  53  45.910   1.586  28.072
  378   HG22  VAL  53          HG22      VAL  53  47.603   1.241  27.719
  379   HG23  VAL  53          HG23      VAL  53  47.039   1.269  29.390
  380    H    PHE  54           HN       PHE  54  47.497  -3.239  27.159
  381    HA   PHE  54           HA       PHE  54  46.321  -5.067  29.152
  382    HB2  PHE  54           HB2      PHE  54  45.964  -4.656  26.273
  383    HB3  PHE  54           HB1      PHE  54  46.178  -6.349  26.717
  384    HD1  PHE  54           HD1      PHE  54  44.108  -3.328  27.232
  385    HD2  PHE  54           HD2      PHE  54  44.548  -7.518  28.067
  386    HE1  PHE  54           HE1      PHE  54  41.779  -3.402  28.080
  387    HE2  PHE  54           HE2      PHE  54  42.218  -7.594  28.914
  388    HZ   PHE  54           HZ       PHE  54  40.833  -5.536  28.921
  389    H    ARG  55           HN       ARG  55  49.231  -4.337  27.642
  390    HA   ARG  55           HA       ARG  55  50.221  -7.106  27.805
  391    HB2  ARG  55           HB2      ARG  55  50.606  -5.701  25.724
  392    HB3  ARG  55           HB1      ARG  55  51.684  -4.706  26.701
  393    HG2  ARG  55           HG2      ARG  55  53.243  -6.208  25.955
  394    HG3  ARG  55           HG1      ARG  55  52.656  -7.140  27.332
  395    HD2  ARG  55           HD2      ARG  55  51.077  -8.330  25.874
  396    HD3  ARG  55           HD1      ARG  55  51.611  -7.376  24.494
  397    HE   ARG  55           HE       ARG  55  53.571  -8.634  24.419
  398   HH11  ARG  55          HH21      ARG  55  51.716  -9.304  27.260
  399   HH12  ARG  55          HH22      ARG  55  52.632 -10.707  27.694
  400   HH21  ARG  55          HH11      ARG  55  54.776 -10.477  24.979
  401   HH22  ARG  55          HH12      ARG  55  54.364 -11.371  26.404
  402    H    LYS  56           HN       LYS  56  50.858  -3.823  28.977
  403    HA   LYS  56           HA       LYS  56  53.170  -4.263  30.440
  404    HB2  LYS  56           HB2      LYS  56  50.829  -2.481  31.155
  405    HB3  LYS  56           HB1      LYS  56  52.446  -2.368  31.850
  406    HG2  LYS  56           HG2      LYS  56  52.409  -2.399  28.906
  407    HG3  LYS  56           HG1      LYS  56  51.613  -0.997  29.621
  408    HD2  LYS  56           HD2      LYS  56  53.601  -0.480  30.930
  409    HD3  LYS  56           HD1      LYS  56  54.398  -1.945  30.355
  410    HE2  LYS  56           HE2      LYS  56  54.752  -1.087  28.231
  411    HE3  LYS  56           HE1      LYS  56  53.368   0.002  28.328
  412    HZ1  LYS  56           HZ1      LYS  56  55.022   1.494  28.643
  413    HZ2  LYS  56           HZ2      LYS  56  56.090   0.358  29.318
  414    HZ3  LYS  56           HZ3      LYS  56  54.835   1.011  30.258
  415    H    LYS  57           HN       LYS  57  49.831  -5.033  31.251
  416    HA   LYS  57           HA       LYS  57  50.294  -5.693  33.981
  417    HB2  LYS  57           HB2      LYS  57  48.122  -6.872  32.253
  418    HB3  LYS  57           HB1      LYS  57  48.085  -6.546  33.987
  419    HG2  LYS  57           HG2      LYS  57  48.659  -4.062  32.937
  420    HG3  LYS  57           HG1      LYS  57  47.561  -4.735  31.731
  421    HD2  LYS  57           HD2      LYS  57  45.938  -5.276  33.516
  422    HD3  LYS  57           HD1      LYS  57  47.030  -4.578  34.713
  423    HE2  LYS  57           HE2      LYS  57  46.621  -2.723  32.533
  424    HE3  LYS  57           HE1      LYS  57  45.071  -3.218  33.212
  425    HZ1  LYS  57           HZ1      LYS  57  46.187  -1.268  34.308
  426    HZ2  LYS  57           HZ2      LYS  57  47.350  -2.359  34.897
  427    HZ3  LYS  57           HZ3      LYS  57  45.720  -2.526  35.346
  428    H    GLY  58           HN       GLY  58  51.367  -7.149  31.188
  429    HA2  GLY  58           HA2      GLY  58  51.841  -9.688  32.618
  430    HA3  GLY  58           HA1      GLY  58  51.234  -9.711  30.965
  431    H    HIS  59           HN       HIS  59  52.664  -9.632  29.327
  432    HA   HIS  59           HA       HIS  59  54.650  -9.438  28.187
  433    HB2  HIS  59           HB2      HIS  59  54.580  -7.186  29.686
  434    HB3  HIS  59           HB1      HIS  59  56.034  -7.944  30.336
  435    HD2  HIS  59           HD2      HIS  59  54.872  -7.802  26.520
  436    HE1  HIS  59           HE1      HIS  59  58.791  -6.267  26.848
  437    HE2  HIS  59           HE2      HIS  59  56.928  -6.849  25.223
  438    H    HIS  60           HN       HIS  60  55.642  -9.476  31.619
  439    HA   HIS  60           HA       HIS  60  56.838 -12.126  31.209
  440    HB2  HIS  60           HB2      HIS  60  58.361  -9.793  32.391
  441    HB3  HIS  60           HB1      HIS  60  58.959 -11.438  32.179
  442    HD2  HIS  60           HD2      HIS  60  58.605  -8.180  30.125
  443    HE1  HIS  60           HE1      HIS  60  59.791 -11.206  27.431
  444    HE2  HIS  60           HE2      HIS  60  59.453  -8.705  27.712
  445    H    HIS  61           HN       HIS  61  54.712 -10.439  32.862
  446    HA   HIS  61           HA       HIS  61  53.689 -10.694  34.903
  447    HB2  HIS  61           HB2      HIS  61  55.526 -12.990  35.519
  448    HB3  HIS  61           HB1      HIS  61  53.833 -12.771  35.964
  449    HD2  HIS  61           HD2      HIS  61  51.966 -13.476  33.935
  450    HE1  HIS  61           HE1      HIS  61  54.825 -14.962  31.206
  451    HE2  HIS  61           HE2      HIS  61  52.341 -14.778  31.703
  452    H    HIS  62           HN       HIS  62  54.345  -8.863  35.942
  453    HA   HIS  62           HA       HIS  62  55.501  -7.495  37.371
  454    HB2  HIS  62           HB2      HIS  62  54.749  -9.232  38.934
  455    HB3  HIS  62           HB1      HIS  62  56.213 -10.160  38.611
  456    HD2  HIS  62           HD2      HIS  62  56.983  -6.408  38.836
  457    HE1  HIS  62           HE1      HIS  62  57.847  -8.018  42.642
  458    HE2  HIS  62           HE2      HIS  62  58.089  -5.969  41.160
  459    H    HIS  63           HN       HIS  63  57.752 -10.196  37.663
  460    HA   HIS  63           HA       HIS  63  59.776  -8.681  36.157
  461    HB2  HIS  63           HB2      HIS  63  59.839  -8.512  38.800
  462    HB3  HIS  63           HB1      HIS  63  60.602 -10.096  38.651
  463    HD2  HIS  63           HD2      HIS  63  61.226  -6.832  36.435
  464    HE1  HIS  63           HE1      HIS  63  64.922  -8.281  37.866
  465    HE2  HIS  63           HE2      HIS  63  63.817  -6.513  36.419
  466    H    HIS  64           HN       HIS  64  61.760 -10.627  37.131
  467    HA   HIS  64           HA       HIS  64  61.105 -12.787  35.249
  468    HB2  HIS  64           HB2      HIS  64  63.253 -11.431  35.054
  469    HB3  HIS  64           HB1      HIS  64  63.786 -12.246  36.525
  470    HD2  HIS  64           HD2      HIS  64  61.982 -15.022  35.018
  471    HE1  HIS  64           HE1      HIS  64  65.634 -15.084  32.901
  472    HE2  HIS  64           HE2      HIS  64  63.542 -16.414  33.453
  Start of MODEL   35
    1    H1   MET   1           HT1      MET   1  63.150   4.718  -9.311
    2    H2   MET   1           HT2      MET   1  63.196   6.393  -9.031
    3    H3   MET   1           HT3      MET   1  64.599   5.457  -8.832
    4    HA   MET   1           HA       MET   1  64.361   6.841 -10.958
    5    HB2  MET   1           HB2      MET   1  65.186   4.631 -12.240
    6    HB3  MET   1           HB1      MET   1  66.191   5.446 -11.041
    7    HG2  MET   1           HG2      MET   1  65.987   2.951 -10.700
    8    HG3  MET   1           HG1      MET   1  65.492   3.916  -9.310
    9    HE1  MET   1           HE1      MET   1  63.209   1.174  -8.770
   10    HE2  MET   1           HE2      MET   1  64.923   1.561  -8.889
   11    HE3  MET   1           HE3      MET   1  64.162   0.576 -10.135
   12    H    GLU   2           HN       GLU   2  63.937   5.885 -13.351
   13    HA   GLU   2           HA       GLU   2  61.041   5.372 -13.427
   14    HB2  GLU   2           HB2      GLU   2  61.789   7.333 -14.662
   15    HB3  GLU   2           HB1      GLU   2  62.949   6.355 -15.561
   16    HG2  GLU   2           HG2      GLU   2  61.320   5.353 -16.852
   17    HG3  GLU   2           HG1      GLU   2  60.091   5.492 -15.596
   18    H    GLU   3           HN       GLU   3  63.836   4.465 -15.459
   19    HA   GLU   3           HA       GLU   3  63.404   1.663 -15.173
   20    HB2  GLU   3           HB2      GLU   3  61.538   2.747 -16.814
   21    HB3  GLU   3           HB1      GLU   3  62.822   2.406 -17.974
   22    HG2  GLU   3           HG2      GLU   3  62.948   0.075 -16.903
   23    HG3  GLU   3           HG1      GLU   3  61.410   0.470 -16.138
   24    H    GLY   4           HN       GLY   4  65.328   0.760 -15.505
   25    HA2  GLY   4           HA2      GLY   4  66.984   0.691 -17.589
   26    HA3  GLY   4           HA1      GLY   4  67.399   2.262 -16.912
   27    H    GLY   5           HN       GLY   5  68.232   2.351 -14.736
   28    HA2  GLY   5           HA2      GLY   5  69.863   1.680 -13.236
   29    HA3  GLY   5           HA1      GLY   5  68.756   0.336 -12.972
   30    H    ASP   6           HN       ASP   6  70.908   1.279 -15.661
   31    HA   ASP   6           HA       ASP   6  71.594  -1.372 -16.352
   32    HB2  ASP   6           HB2      ASP   6  72.490   1.342 -17.084
   33    HB3  ASP   6           HB1      ASP   6  73.701   0.077 -17.282
   34    H    PHE   7           HN       PHE   7  72.608   0.623 -13.780
   35    HA   PHE   7           HA       PHE   7  74.695  -1.335 -13.084
   36    HB2  PHE   7           HB2      PHE   7  75.149   1.586 -12.559
   37    HB3  PHE   7           HB1      PHE   7  76.326   0.275 -12.649
   38    HD1  PHE   7           HD2      PHE   7  76.661  -0.883 -14.928
   39    HD2  PHE   7           HD1      PHE   7  74.673   2.896 -14.460
   40    HE1  PHE   7           HE2      PHE   7  77.028  -0.392 -17.330
   41    HE2  PHE   7           HE1      PHE   7  75.039   3.387 -16.863
   42    HZ   PHE   7           HZ       PHE   7  76.217   1.742 -18.298
   43    H    ASP   8           HN       ASP   8  72.080  -1.277 -12.104
   44    HA   ASP   8           HA       ASP   8  72.608  -0.684  -9.277
   45    HB2  ASP   8           HB2      ASP   8  70.078   0.172 -10.700
   46    HB3  ASP   8           HB1      ASP   8  70.437   0.384  -8.988
   47    H    ASN   9           HN       ASN   9  72.725  -3.176 -10.432
   48    HA   ASN   9           HA       ASN   9  70.696  -4.578  -8.946
   49    HB2  ASN   9           HB2      ASN   9  70.282  -4.083 -11.756
   50    HB3  ASN   9           HB1      ASN   9  70.478  -5.811 -11.469
   51   HD21  ASN   9          HD21      ASN   9  68.020  -3.851 -11.915
   52   HD22  ASN   9          HD22      ASN   9  66.926  -4.378 -10.729
   53    H    TYR  10           HN       TYR  10  72.003  -5.954  -7.919
   54    HA   TYR  10           HA       TYR  10  73.440  -7.702  -7.563
   55    HB2  TYR  10           HB2      TYR  10  72.267  -8.252  -9.939
   56    HB3  TYR  10           HB1      TYR  10  73.964  -8.207 -10.416
   57    HD1  TYR  10           HD2      TYR  10  71.812  -9.528  -7.636
   58    HD2  TYR  10           HD1      TYR  10  75.215 -10.169 -10.179
   59    HE1  TYR  10           HE2      TYR  10  72.148 -11.766  -6.623
   60    HE2  TYR  10           HE1      TYR  10  75.549 -12.407  -9.167
   61    HH   TYR  10           HH       TYR  10  74.823 -13.879  -7.682
   62    H    TYR  11           HN       TYR  11  74.337  -5.473 -10.167
   63    HA   TYR  11           HA       TYR  11  76.410  -4.710 -10.862
   64    HB2  TYR  11           HB2      TYR  11  77.590  -4.187  -8.349
   65    HB3  TYR  11           HB1      TYR  11  76.677  -3.069  -9.363
   66    HD1  TYR  11           HD1      TYR  11  74.109  -3.102  -9.178
   67    HD2  TYR  11           HD2      TYR  11  76.713  -4.919  -6.285
   68    HE1  TYR  11           HE1      TYR  11  72.270  -3.087  -7.514
   69    HE2  TYR  11           HE2      TYR  11  74.874  -4.903  -4.621
   70    HH   TYR  11           HH       TYR  11  71.605  -3.854  -5.505
   71    H    GLY  12           HN       GLY  12  77.467  -6.461 -11.759
   72    HA2  GLY  12           HA2      GLY  12  79.227  -7.931 -11.989
   73    HA3  GLY  12           HA1      GLY  12  79.830  -7.353 -10.439
   74    H    ALA  13           HN       ALA  13  78.341  -8.104  -8.529
   75    HA   ALA  13           HA       ALA  13  77.169 -10.733  -8.891
   76    HB1  ALA  13           HB1      ALA  13  79.480 -11.393  -8.709
   77    HB2  ALA  13           HB2      ALA  13  78.690 -11.764  -7.176
   78    HB3  ALA  13           HB3      ALA  13  79.721 -10.340  -7.316
   79    H    ASP  14           HN       ASP  14  78.694  -9.592  -5.942
   80    HA   ASP  14           HA       ASP  14  77.831  -8.795  -3.963
   81    HB2  ASP  14           HB2      ASP  14  76.545  -7.301  -5.737
   82    HB3  ASP  14           HB1      ASP  14  75.165  -8.257  -5.197
   83    H    ASN  15           HN       ASN  15  77.638 -11.561  -4.717
   84    HA   ASN  15           HA       ASN  15  75.065 -12.401  -3.561
   85    HB2  ASN  15           HB2      ASN  15  75.861 -13.423  -5.714
   86    HB3  ASN  15           HB1      ASN  15  77.211 -14.120  -4.820
   87   HD21  ASN  15          HD21      ASN  15  76.601 -16.336  -4.857
   88   HD22  ASN  15          HD22      ASN  15  75.155 -16.915  -4.181
   89    H    GLN  16           HN       GLN  16  76.530 -11.245  -1.655
   90    HA   GLN  16           HA       GLN  16  78.256 -13.138  -0.310
   91    HB2  GLN  16           HB2      GLN  16  78.316 -11.411   1.475
   92    HB3  GLN  16           HB1      GLN  16  78.724 -10.755  -0.111
   93    HG2  GLN  16           HG2      GLN  16  75.906 -10.581   0.134
   94    HG3  GLN  16           HG1      GLN  16  76.579  -9.991   1.652
   95   HE21  GLN  16          HE21      GLN  16  76.852  -9.552  -1.905
   96   HE22  GLN  16          HE22      GLN  16  77.373  -7.939  -1.814
   97    H    SER  17           HN       SER  17  74.897 -12.312  -0.316
   98    HA   SER  17           HA       SER  17  74.179 -14.542   1.283
   99    HB2  SER  17           HB2      SER  17  73.138 -13.093   3.147
  100    HB3  SER  17           HB1      SER  17  74.870 -13.399   3.217
  101    HG   SER  17           HG       SER  17  74.004 -11.124   3.426
  102    H    GLU  18           HN       GLU  18  73.521 -13.054  -1.208
  103    HA   GLU  18           HA       GLU  18  70.770 -12.175  -0.760
  104    HB2  GLU  18           HB2      GLU  18  72.432 -11.028  -2.344
  105    HB3  GLU  18           HB1      GLU  18  72.166 -12.398  -3.423
  106    HG2  GLU  18           HG2      GLU  18  69.595 -11.736  -2.752
  107    HG3  GLU  18           HG1      GLU  18  70.371 -10.153  -2.758
  108    H    CYS  19           HN       CYS  19  69.576 -13.986  -0.289
  109    HA   CYS  19           HA       CYS  19  68.707 -15.598  -2.456
  110    HB2  CYS  19           HB2      CYS  19  70.802 -16.774  -2.197
  111    HB3  CYS  19           HB1      CYS  19  70.559 -16.909  -0.455
  112    HG   CYS  19           HG       CYS  19  68.828 -18.430  -2.571
  113    H    GLU  20           HN       GLU  20  69.229 -16.156   1.035
  114    HA   GLU  20           HA       GLU  20  66.401 -16.845   1.325
  115    HB2  GLU  20           HB2      GLU  20  68.814 -17.087   3.115
  116    HB3  GLU  20           HB1      GLU  20  67.178 -17.328   3.730
  117    HG2  GLU  20           HG2      GLU  20  66.781 -19.139   2.206
  118    HG3  GLU  20           HG1      GLU  20  68.261 -18.793   1.314
  119    H    TYR  21           HN       TYR  21  67.598 -14.037   0.938
  120    HA   TYR  21           HA       TYR  21  65.900 -12.764   2.943
  121    HB2  TYR  21           HB2      TYR  21  68.408 -12.983   3.722
  122    HB3  TYR  21           HB1      TYR  21  68.650 -11.629   2.618
  123    HD1  TYR  21           HD1      TYR  21  66.750 -12.776   5.599
  124    HD2  TYR  21           HD2      TYR  21  67.869  -9.432   3.146
  125    HE1  TYR  21           HE1      TYR  21  65.831 -11.221   7.298
  126    HE2  TYR  21           HE2      TYR  21  66.951  -7.877   4.845
  127    HH   TYR  21           HH       TYR  21  65.713  -9.071   7.948
  128    H    THR  22           HN       THR  22  65.378 -13.011   0.265
  129    HA   THR  22           HA       THR  22  65.270 -10.237  -0.544
  130    HB   THR  22           HB       THR  22  66.807 -12.252  -2.195
  131    HG1  THR  22           HG1      THR  22  67.526 -10.501  -0.370
  132   HG21  THR  22          HG21      THR  22  65.522  -9.632  -2.851
  133   HG22  THR  22          HG22      THR  22  65.684 -11.080  -3.845
  134   HG23  THR  22          HG23      THR  22  67.071 -10.019  -3.599
  135    H    ASP  23           HN       ASP  23  64.641 -13.627  -1.250
  136    HA   ASP  23           HA       ASP  23  62.272 -12.843  -2.832
  137    HB2  ASP  23           HB2      ASP  23  64.113 -14.391  -3.784
  138    HB3  ASP  23           HB1      ASP  23  63.428 -15.615  -2.715
  139    H    TRP  24           HN       TRP  24  62.533 -12.922   0.142
  140    HA   TRP  24           HA       TRP  24  60.631 -15.087   0.780
  141    HB2  TRP  24           HB2      TRP  24  61.320 -14.899   3.043
  142    HB3  TRP  24           HB1      TRP  24  62.804 -14.814   2.094
  143    HD1  TRP  24           HD1      TRP  24  63.800 -12.305   1.644
  144    HE1  TRP  24           HE1      TRP  24  63.721 -10.214   3.149
  145    HE3  TRP  24           HE3      TRP  24  60.007 -13.628   4.795
  146    HZ2  TRP  24           HZ2      TRP  24  62.245  -9.232   5.393
  147    HZ3  TRP  24           HZ3      TRP  24  59.285 -12.099   6.606
  148    HH2  TRP  24           HH2      TRP  24  60.399  -9.904   6.909
  149    H    LYS  25           HN       LYS  25  60.544 -11.977  -0.181
  150    HA   LYS  25           HA       LYS  25  58.017 -11.493   1.246
  151    HB2  LYS  25           HB2      LYS  25  58.798  -8.984   1.179
  152    HB3  LYS  25           HB1      LYS  25  59.324 -10.036   2.492
  153    HG2  LYS  25           HG2      LYS  25  61.210  -8.733   1.541
  154    HG3  LYS  25           HG1      LYS  25  61.442 -10.469   1.331
  155    HD2  LYS  25           HD2      LYS  25  60.886 -10.381  -0.968
  156    HD3  LYS  25           HD1      LYS  25  60.141  -8.789  -0.813
  157    HE2  LYS  25           HE2      LYS  25  63.089  -9.316  -0.353
  158    HE3  LYS  25           HE1      LYS  25  62.422  -8.750  -1.884
  159    HZ1  LYS  25           HZ1      LYS  25  61.328  -7.088  -0.024
  160    HZ2  LYS  25           HZ2      LYS  25  62.635  -6.720  -1.044
  161    HZ3  LYS  25           HZ3      LYS  25  62.917  -7.299   0.528
  162    H    SER  26           HN       SER  26  59.025 -12.298  -1.534
  163    HA   SER  26           HA       SER  26  57.183 -10.555  -2.990
  164    HB2  SER  26           HB2      SER  26  60.102 -10.872  -3.711
  165    HB3  SER  26           HB1      SER  26  58.883 -10.284  -4.838
  166    HG   SER  26           HG       SER  26  59.000  -8.426  -3.881
  167    H    SER  27           HN       SER  27  59.704 -12.687  -4.267
  168    HA   SER  27           HA       SER  27  59.543 -14.538  -5.630
  169    HB2  SER  27           HB2      SER  27  58.722 -15.296  -3.236
  170    HB3  SER  27           HB1      SER  27  57.171 -15.454  -4.054
  171    HG   SER  27           HG       SER  27  59.293 -16.469  -5.465
  172    H    GLY  28           HN       GLY  28  57.539 -12.134  -5.853
  173    HA2  GLY  28           HA2      GLY  28  56.512 -11.975  -8.155
  174    HA3  GLY  28           HA1      GLY  28  55.636 -13.438  -7.706
  175    H    ALA  29           HN       ALA  29  56.132 -11.444  -5.045
  176    HA   ALA  29           HA       ALA  29  54.846  -9.875  -3.938
  177    HB1  ALA  29           HB1      ALA  29  52.731  -9.831  -6.033
  178    HB2  ALA  29           HB2      ALA  29  54.310  -9.170  -6.460
  179    HB3  ALA  29           HB3      ALA  29  53.417  -8.506  -5.093
  180    H    LEU  30           HN       LEU  30  54.389 -12.921  -4.440
  181    HA   LEU  30           HA       LEU  30  51.656 -13.442  -3.903
  182    HB2  LEU  30           HB2      LEU  30  54.200 -15.021  -3.608
  183    HB3  LEU  30           HB1      LEU  30  52.675 -15.670  -3.010
  184    HG   LEU  30           HG       LEU  30  53.250 -16.353  -5.378
  185   HD11  LEU  30          HD11      LEU  30  50.830 -14.823  -5.894
  186   HD12  LEU  30          HD12      LEU  30  50.778 -15.572  -4.301
  187   HD13  LEU  30          HD13      LEU  30  51.032 -16.566  -5.733
  188   HD21  LEU  30          HD21      LEU  30  54.227 -14.050  -5.898
  189   HD22  LEU  30          HD22      LEU  30  52.563 -13.490  -6.066
  190   HD23  LEU  30          HD23      LEU  30  53.183 -14.744  -7.139
  191    H    ILE  31           HN       ILE  31  54.378 -12.578  -1.910
  192    HA   ILE  31           HA       ILE  31  53.170 -13.379   0.569
  193    HB   ILE  31           HB       ILE  31  55.624 -11.839  -0.181
  194   HG12  ILE  31          HG12      ILE  31  56.693 -13.624   1.081
  195   HG13  ILE  31          HG11      ILE  31  55.125 -14.216   1.633
  196   HG21  ILE  31          HG21      ILE  31  55.976 -11.709   2.384
  197   HG22  ILE  31          HG22      ILE  31  54.227 -11.892   2.495
  198   HG23  ILE  31          HG23      ILE  31  54.915 -10.506   1.653
  199   HD11  ILE  31          HD11      ILE  31  56.248 -15.395  -0.403
  200   HD12  ILE  31          HD12      ILE  31  55.714 -13.980  -1.311
  201   HD13  ILE  31          HD13      ILE  31  54.531 -15.005  -0.499
  202    HA   PRO  32           HA       PRO  32  52.413  -8.599   1.189
  203    HB2  PRO  32           HB2      PRO  32  52.112  -7.272  -1.259
  204    HB3  PRO  32           HB1      PRO  32  53.519  -7.154  -0.186
  205    HG2  PRO  32           HG2      PRO  32  53.128  -8.817  -2.619
  206    HG3  PRO  32           HG1      PRO  32  54.579  -7.979  -2.040
  207    HD2  PRO  32           HD2      PRO  32  54.334 -10.630  -1.761
  208    HD3  PRO  32           HD1      PRO  32  55.091  -9.642  -0.493
  209    H    ALA  33           HN       ALA  33  51.187 -10.762  -1.157
  210    HA   ALA  33           HA       ALA  33  48.596  -9.504  -1.452
  211    HB1  ALA  33           HB1      ALA  33  50.043 -11.414  -2.882
  212    HB2  ALA  33           HB2      ALA  33  48.383 -10.902  -3.195
  213    HB3  ALA  33           HB3      ALA  33  48.696 -12.313  -2.184
  214    H    ILE  34           HN       ILE  34  50.048 -11.172   1.010
  215    HA   ILE  34           HA       ILE  34  47.431 -11.960   2.111
  216    HB   ILE  34           HB       ILE  34  49.511 -13.754   3.010
  217   HG12  ILE  34          HG12      ILE  34  48.955 -13.661   0.026
  218   HG13  ILE  34          HG11      ILE  34  50.507 -13.341   0.799
  219   HG21  ILE  34          HG21      ILE  34  47.011 -14.289   1.382
  220   HG22  ILE  34          HG22      ILE  34  47.003 -14.026   3.125
  221   HG23  ILE  34          HG23      ILE  34  47.848 -15.417   2.449
  222   HD11  ILE  34          HD11      ILE  34  50.353 -15.682   1.795
  223   HD12  ILE  34          HD12      ILE  34  50.599 -15.610   0.050
  224   HD13  ILE  34          HD13      ILE  34  48.998 -15.960   0.701
  225    H    TYR  35           HN       TYR  35  50.902 -11.673   2.895
  226    HA   TYR  35           HA       TYR  35  50.843 -11.429   5.605
  227    HB2  TYR  35           HB2      TYR  35  52.583 -10.473   3.478
  228    HB3  TYR  35           HB1      TYR  35  52.575  -9.380   4.863
  229    HD1  TYR  35           HD1      TYR  35  52.826 -13.019   4.003
  230    HD2  TYR  35           HD2      TYR  35  53.859  -9.890   6.760
  231    HE1  TYR  35           HE1      TYR  35  54.265 -14.600   5.258
  232    HE2  TYR  35           HE2      TYR  35  55.298 -11.472   8.015
  233    HH   TYR  35           HH       TYR  35  56.381 -13.514   7.828
  234    H    MET  36           HN       MET  36  49.697  -9.096   3.261
  235    HA   MET  36           HA       MET  36  49.383  -6.959   5.174
  236    HB2  MET  36           HB2      MET  36  48.130  -7.235   2.434
  237    HB3  MET  36           HB1      MET  36  48.336  -5.750   3.364
  238    HG2  MET  36           HG2      MET  36  50.611  -7.503   2.388
  239    HG3  MET  36           HG1      MET  36  50.081  -6.014   1.604
  240    HE1  MET  36           HE1      MET  36  52.812  -7.325   3.654
  241    HE2  MET  36           HE2      MET  36  53.571  -5.735   3.678
  242    HE3  MET  36           HE3      MET  36  52.874  -6.347   2.181
  243    H    LEU  37           HN       LEU  37  47.388  -9.522   3.844
  244    HA   LEU  37           HA       LEU  37  44.884  -8.529   4.765
  245    HB2  LEU  37           HB2      LEU  37  45.917 -11.116   3.714
  246    HB3  LEU  37           HB1      LEU  37  44.404 -11.152   4.620
  247    HG   LEU  37           HG       LEU  37  44.790  -9.078   2.484
  248   HD11  LEU  37          HD11      LEU  37  44.450 -12.017   2.117
  249   HD12  LEU  37          HD12      LEU  37  45.219 -10.833   1.059
  250   HD13  LEU  37          HD13      LEU  37  43.461 -10.963   1.108
  251   HD21  LEU  37          HD21      LEU  37  42.802  -9.478   4.247
  252   HD22  LEU  37          HD22      LEU  37  42.266 -10.589   2.987
  253   HD23  LEU  37          HD23      LEU  37  42.495  -8.880   2.615
  254    H    VAL  38           HN       VAL  38  47.534  -9.514   6.483
  255    HA   VAL  38           HA       VAL  38  45.868 -10.172   8.832
  256    HB   VAL  38           HB       VAL  38  48.423 -11.449   9.049
  257   HG11  VAL  38          HG11      VAL  38  46.973 -13.452   9.314
  258   HG12  VAL  38          HG12      VAL  38  45.593 -12.505   8.755
  259   HG13  VAL  38          HG13      VAL  38  46.394 -12.087  10.270
  260   HG21  VAL  38          HG21      VAL  38  46.820 -12.143   6.565
  261   HG22  VAL  38          HG22      VAL  38  48.170 -13.086   7.199
  262   HG23  VAL  38          HG23      VAL  38  48.443 -11.454   6.589
  263    H    PHE  39           HN       PHE  39  49.264  -9.479   7.946
  264    HA   PHE  39           HA       PHE  39  50.170  -8.425  10.302
  265    HB2  PHE  39           HB2      PHE  39  51.499  -8.706   8.189
  266    HB3  PHE  39           HB1      PHE  39  50.764  -7.218   7.591
  267    HD1  PHE  39           HD1      PHE  39  52.745  -8.612  10.439
  268    HD2  PHE  39           HD2      PHE  39  51.639  -5.115   8.203
  269    HE1  PHE  39           HE1      PHE  39  54.420  -7.281  11.693
  270    HE2  PHE  39           HE2      PHE  39  53.314  -3.784   9.456
  271    HZ   PHE  39           HZ       PHE  39  54.705  -4.867  11.201
  272    H    LEU  40           HN       LEU  40  48.928  -6.366   7.661
  273    HA   LEU  40           HA       LEU  40  48.540  -4.136   9.419
  274    HB2  LEU  40           HB2      LEU  40  48.900  -4.400   6.731
  275    HB3  LEU  40           HB1      LEU  40  47.159  -4.143   6.800
  276    HG   LEU  40           HG       LEU  40  49.228  -2.360   8.120
  277   HD11  LEU  40          HD11      LEU  40  49.503  -1.564   6.020
  278   HD12  LEU  40          HD12      LEU  40  47.880  -0.896   6.195
  279   HD13  LEU  40          HD13      LEU  40  48.110  -2.459   5.412
  280   HD21  LEU  40          HD21      LEU  40  47.100  -2.306   9.303
  281   HD22  LEU  40          HD22      LEU  40  46.217  -2.154   7.786
  282   HD23  LEU  40          HD23      LEU  40  47.239  -0.831   8.349
  283    H    LEU  41           HN       LEU  41  47.151  -6.359  10.408
  284    HA   LEU  41           HA       LEU  41  44.464  -5.258  10.511
  285    HB2  LEU  41           HB2      LEU  41  44.234  -6.739   8.609
  286    HB3  LEU  41           HB1      LEU  41  45.014  -8.052   9.486
  287    HG   LEU  41           HG       LEU  41  43.159  -8.181  11.054
  288   HD11  LEU  41          HD11      LEU  41  41.103  -6.688  10.411
  289   HD12  LEU  41          HD12      LEU  41  42.315  -5.655   9.652
  290   HD13  LEU  41          HD13      LEU  41  42.397  -5.987  11.382
  291   HD21  LEU  41          HD21      LEU  41  41.434  -8.012   8.739
  292   HD22  LEU  41          HD22      LEU  41  42.027  -9.447   9.577
  293   HD23  LEU  41          HD23      LEU  41  42.987  -8.716   8.290
  294    H    GLY  42           HN       GLY  42  46.712  -7.805  11.508
  295    HA2  GLY  42           HA2      GLY  42  45.237  -8.363  13.942
  296    HA3  GLY  42           HA1      GLY  42  46.767  -9.085  13.455
  297    H    THR  43           HN       THR  43  47.541  -6.080  12.936
  298    HA   THR  43           HA       THR  43  48.006  -5.301  15.735
  299    HB   THR  43           HB       THR  43  50.062  -6.342  15.321
  300    HG1  THR  43           HG1      THR  43  50.959  -4.006  14.227
  301   HG21  THR  43          HG21      THR  43  49.680  -6.839  12.943
  302   HG22  THR  43          HG22      THR  43  51.280  -6.138  13.179
  303   HG23  THR  43          HG23      THR  43  49.971  -5.149  12.536
  304    H    THR  44           HN       THR  44  48.358  -4.375  12.316
  305    HA   THR  44           HA       THR  44  48.333  -2.285  11.321
  306    HB   THR  44           HB       THR  44  46.196  -1.507  11.311
  307    HG1  THR  44           HG1      THR  44  46.058  -0.313  13.071
  308   HG21  THR  44          HG21      THR  44  44.650  -3.200  11.885
  309   HG22  THR  44          HG22      THR  44  45.619  -3.736  13.257
  310   HG23  THR  44          HG23      THR  44  46.160  -4.068  11.612
  311    H    GLY  45           HN       GLY  45  49.832  -2.558  13.964
  312    HA2  GLY  45           HA2      GLY  45  51.224  -1.106  15.112
  313    HA3  GLY  45           HA1      GLY  45  50.503   0.230  14.220
  314    H    ASN  46           HN       ASN  46  47.886  -1.281  15.298
  315    HA   ASN  46           HA       ASN  46  47.732   0.395  17.714
  316    HB2  ASN  46           HB2      ASN  46  45.574   0.783  17.187
  317    HB3  ASN  46           HB1      ASN  46  45.998   0.157  15.595
  318   HD21  ASN  46          HD21      ASN  46  45.663  -2.264  15.286
  319   HD22  ASN  46          HD22      ASN  46  44.411  -3.017  16.154
  320    H    GLY  47           HN       GLY  47  48.649  -2.610  17.066
  321    HA2  GLY  47           HA2      GLY  47  47.116  -3.898  19.231
  322    HA3  GLY  47           HA1      GLY  47  48.075  -4.738  18.016
  323    H    LEU  48           HN       LEU  48  50.454  -3.346  18.121
  324    HA   LEU  48           HA       LEU  48  51.450  -4.151  20.769
  325    HB2  LEU  48           HB2      LEU  48  53.406  -3.353  18.720
  326    HB3  LEU  48           HB1      LEU  48  53.367  -4.786  19.747
  327    HG   LEU  48           HG       LEU  48  51.729  -4.337  17.232
  328   HD11  LEU  48          HD11      LEU  48  54.355  -5.354  17.673
  329   HD12  LEU  48          HD12      LEU  48  53.437  -5.337  16.167
  330   HD13  LEU  48          HD13      LEU  48  53.322  -6.720  17.254
  331   HD21  LEU  48          HD21      LEU  48  51.561  -7.013  18.000
  332   HD22  LEU  48          HD22      LEU  48  50.288  -5.807  18.182
  333   HD23  LEU  48          HD23      LEU  48  51.392  -6.132  19.519
  334    H    VAL  49           HN       VAL  49  50.029  -1.600  20.203
  335    HA   VAL  49           HA       VAL  49  52.075   0.182  21.327
  336    HB   VAL  49           HB       VAL  49  50.213   1.122  19.146
  337   HG11  VAL  49          HG11      VAL  49  51.497   2.602  20.944
  338   HG12  VAL  49          HG12      VAL  49  51.396   3.113  19.258
  339   HG13  VAL  49          HG13      VAL  49  52.859   2.330  19.858
  340   HG21  VAL  49          HG21      VAL  49  51.671  -0.599  18.189
  341   HG22  VAL  49          HG22      VAL  49  53.083   0.155  18.928
  342   HG23  VAL  49          HG23      VAL  49  52.204   0.993  17.649
  343    H    LEU  50           HN       LEU  50  48.645  -0.211  20.466
  344    HA   LEU  50           HA       LEU  50  47.869   1.560  22.668
  345    HB2  LEU  50           HB2      LEU  50  46.743   1.835  20.500
  346    HB3  LEU  50           HB1      LEU  50  46.186   0.164  20.573
  347    HG   LEU  50           HG       LEU  50  45.546   1.599  23.021
  348   HD11  LEU  50          HD11      LEU  50  45.465   3.547  21.509
  349   HD12  LEU  50          HD12      LEU  50  43.843   3.094  22.034
  350   HD13  LEU  50          HD13      LEU  50  44.401   2.659  20.418
  351   HD21  LEU  50          HD21      LEU  50  44.553  -0.549  22.252
  352   HD22  LEU  50          HD22      LEU  50  43.823   0.297  20.887
  353   HD23  LEU  50          HD23      LEU  50  43.320   0.682  22.534
  354    H    TRP  51           HN       TRP  51  46.769  -1.630  21.488
  355    HA   TRP  51           HA       TRP  51  45.454  -2.443  23.795
  356    HB2  TRP  51           HB2      TRP  51  45.101  -3.803  21.927
  357    HB3  TRP  51           HB1      TRP  51  46.825  -3.946  21.584
  358    HD1  TRP  51           HD1      TRP  51  48.155  -5.835  22.757
  359    HE1  TRP  51           HE1      TRP  51  47.503  -7.776  24.325
  360    HE3  TRP  51           HE3      TRP  51  43.371  -4.470  23.907
  361    HZ2  TRP  51           HZ2      TRP  51  45.249  -8.635  25.863
  362    HZ3  TRP  51           HZ3      TRP  51  41.995  -5.865  25.424
  363    HH2  TRP  51           HH2      TRP  51  42.929  -7.944  26.402
  364    H    THR  52           HN       THR  52  48.879  -2.503  23.025
  365    HA   THR  52           HA       THR  52  49.802  -4.240  25.011
  366    HB   THR  52           HB       THR  52  51.121  -3.143  23.108
  367    HG1  THR  52           HG1      THR  52  51.890  -3.677  25.705
  368   HG21  THR  52          HG21      THR  52  50.369  -0.810  24.026
  369   HG22  THR  52          HG22      THR  52  52.003  -0.999  23.392
  370   HG23  THR  52          HG23      THR  52  51.728  -1.009  25.134
  371    H    VAL  53           HN       VAL  53  48.741  -0.911  25.191
  372    HA   VAL  53           HA       VAL  53  49.844  -0.105  27.611
  373    HB   VAL  53           HB       VAL  53  47.077   0.513  26.546
  374   HG11  VAL  53          HG11      VAL  53  47.128   1.243  28.798
  375   HG12  VAL  53          HG12      VAL  53  47.574   2.675  27.872
  376   HG13  VAL  53          HG13      VAL  53  48.819   1.732  28.690
  377   HG21  VAL  53          HG21      VAL  53  49.623   1.074  25.469
  378   HG22  VAL  53          HG22      VAL  53  49.094   2.570  26.238
  379   HG23  VAL  53          HG23      VAL  53  48.090   1.810  25.003
  380    H    PHE  54           HN       PHE  54  46.672  -1.663  27.097
  381    HA   PHE  54           HA       PHE  54  46.503  -2.240  29.965
  382    HB2  PHE  54           HB2      PHE  54  44.554  -2.366  27.676
  383    HB3  PHE  54           HB1      PHE  54  44.210  -3.171  29.207
  384    HD1  PHE  54           HD2      PHE  54  44.197  -1.819  31.342
  385    HD2  PHE  54           HD1      PHE  54  44.370   0.001  27.455
  386    HE1  PHE  54           HE2      PHE  54  43.492   0.345  32.324
  387    HE2  PHE  54           HE1      PHE  54  43.665   2.165  28.438
  388    HZ   PHE  54           HZ       PHE  54  43.226   2.338  30.872
  389    H    ARG  55           HN       ARG  55  48.502  -3.692  29.340
  390    HA   ARG  55           HA       ARG  55  47.601  -6.400  29.522
  391    HB2  ARG  55           HB2      ARG  55  47.404  -5.986  27.052
  392    HB3  ARG  55           HB1      ARG  55  49.136  -5.662  27.019
  393    HG2  ARG  55           HG2      ARG  55  48.758  -7.985  26.389
  394    HG3  ARG  55           HG1      ARG  55  49.548  -7.938  27.963
  395    HD2  ARG  55           HD2      ARG  55  46.573  -7.933  27.986
  396    HD3  ARG  55           HD1      ARG  55  47.348  -9.426  27.470
  397    HE   ARG  55           HE       ARG  55  47.370  -8.301  30.138
  398   HH11  ARG  55          HH21      ARG  55  48.915 -10.375  27.839
  399   HH12  ARG  55          HH22      ARG  55  49.694 -11.353  29.037
  400   HH21  ARG  55          HH11      ARG  55  48.388  -9.580  31.716
  401   HH22  ARG  55          HH12      ARG  55  49.396 -10.903  31.232
  402    H    LYS  56           HN       LYS  56  50.321  -4.261  28.731
  403    HA   LYS  56           HA       LYS  56  52.267  -6.071  29.875
  404    HB2  LYS  56           HB2      LYS  56  53.868  -4.243  29.412
  405    HB3  LYS  56           HB1      LYS  56  52.896  -4.639  27.994
  406    HG2  LYS  56           HG2      LYS  56  52.361  -2.449  27.892
  407    HG3  LYS  56           HG1      LYS  56  51.382  -2.717  29.335
  408    HD2  LYS  56           HD2      LYS  56  53.347  -2.218  30.755
  409    HD3  LYS  56           HD1      LYS  56  54.306  -1.915  29.305
  410    HE2  LYS  56           HE2      LYS  56  53.016  -0.005  28.721
  411    HE3  LYS  56           HE1      LYS  56  51.735  -0.428  29.856
  412    HZ1  LYS  56           HZ1      LYS  56  52.972   1.263  30.880
  413    HZ2  LYS  56           HZ2      LYS  56  54.460   0.554  30.466
  414    HZ3  LYS  56           HZ3      LYS  56  53.469  -0.169  31.642
  415    H    LYS  57           HN       LYS  57  50.177  -3.625  31.028
  416    HA   LYS  57           HA       LYS  57  51.639  -2.520  33.145
  417    HB2  LYS  57           HB2      LYS  57  48.676  -3.120  32.982
  418    HB3  LYS  57           HB1      LYS  57  49.434  -2.056  34.167
  419    HG2  LYS  57           HG2      LYS  57  50.104  -1.515  31.328
  420    HG3  LYS  57           HG1      LYS  57  48.443  -1.167  31.807
  421    HD2  LYS  57           HD2      LYS  57  49.227   0.249  33.637
  422    HD3  LYS  57           HD1      LYS  57  50.903  -0.150  33.258
  423    HE2  LYS  57           HE2      LYS  57  50.964   1.237  31.443
  424    HE3  LYS  57           HE1      LYS  57  49.291   0.901  31.003
  425    HZ1  LYS  57           HZ1      LYS  57  50.266   3.123  32.334
  426    HZ2  LYS  57           HZ2      LYS  57  49.387   2.239  33.487
  427    HZ3  LYS  57           HZ3      LYS  57  48.643   2.729  32.040
  428    H    GLY  58           HN       GLY  58  49.792  -5.527  32.934
  429    HA2  GLY  58           HA2      GLY  58  51.006  -7.297  34.375
  430    HA3  GLY  58           HA1      GLY  58  50.581  -6.206  35.692
  431    H    HIS  59           HN       HIS  59  49.055  -7.869  32.926
  432    HA   HIS  59           HA       HIS  59  46.920  -8.712  32.672
  433    HB2  HIS  59           HB2      HIS  59  48.248  -9.961  34.855
  434    HB3  HIS  59           HB1      HIS  59  46.550  -9.783  35.296
  435    HD2  HIS  59           HD2      HIS  59  48.745 -11.840  32.823
  436    HE1  HIS  59           HE1      HIS  59  44.713 -12.841  32.066
  437    HE2  HIS  59           HE2      HIS  59  47.126 -13.445  31.550
  438    H    HIS  60           HN       HIS  60  47.284  -5.991  34.060
  439    HA   HIS  60           HA       HIS  60  45.997  -4.433  35.182
  440    HB2  HIS  60           HB2      HIS  60  44.748  -5.183  32.937
  441    HB3  HIS  60           HB1      HIS  60  43.533  -5.705  34.103
  442    HD2  HIS  60           HD2      HIS  60  45.687  -2.344  34.142
  443    HE1  HIS  60           HE1      HIS  60  41.587  -1.384  34.448
  444    HE2  HIS  60           HE2      HIS  60  43.938  -0.425  34.425
  445    H    HIS  61           HN       HIS  61  46.597  -6.719  36.765
  446    HA   HIS  61           HA       HIS  61  44.265  -6.670  38.562
  447    HB2  HIS  61           HB2      HIS  61  44.410  -9.045  38.974
  448    HB3  HIS  61           HB1      HIS  61  44.243  -8.795  37.236
  449    HD2  HIS  61           HD2      HIS  61  45.751 -11.531  37.833
  450    HE1  HIS  61           HE1      HIS  61  49.389  -9.441  37.364
  451    HE2  HIS  61           HE2      HIS  61  48.322 -11.745  37.428
  452    H    HIS  62           HN       HIS  62  46.581  -5.112  38.771
  453    HA   HIS  62           HA       HIS  62  48.253  -6.432  40.789
  454    HB2  HIS  62           HB2      HIS  62  48.923  -4.736  38.771
  455    HB3  HIS  62           HB1      HIS  62  48.761  -3.603  40.112
  456    HD2  HIS  62           HD2      HIS  62  49.945  -5.892  42.385
  457    HE1  HIS  62           HE1      HIS  62  53.469  -5.471  40.097
  458    HE2  HIS  62           HE2      HIS  62  52.527  -6.275  42.314
  459    H    HIS  63           HN       HIS  63  46.393  -3.408  40.412
  460    HA   HIS  63           HA       HIS  63  45.616  -1.930  42.016
  461    HB2  HIS  63           HB2      HIS  63  43.968  -2.940  43.463
  462    HB3  HIS  63           HB1      HIS  63  43.921  -3.771  41.907
  463    HD2  HIS  63           HD2      HIS  63  44.780  -6.470  41.971
  464    HE1  HIS  63           HE1      HIS  63  45.460  -6.638  46.135
  465    HE2  HIS  63           HE2      HIS  63  45.314  -8.016  44.007
  466    H    HIS  64           HN       HIS  64  48.329  -2.502  42.445
  467    HA   HIS  64           HA       HIS  64  49.087  -3.395  44.957
  468    HB2  HIS  64           HB2      HIS  64  50.857  -1.412  44.635
  469    HB3  HIS  64           HB1      HIS  64  50.933  -2.901  43.694
  470    HD2  HIS  64           HD2      HIS  64  51.448  -2.081  41.107
  471    HE1  HIS  64           HE1      HIS  64  48.747   1.159  40.956
  472    HE2  HIS  64           HE2      HIS  64  50.414  -0.206  39.613
  Start of MODEL   36
    1    H1   MET   1           HT1      MET   1  54.364   6.282 -14.219
    2    H2   MET   1           HT2      MET   1  54.113   7.226 -15.609
    3    H3   MET   1           HT3      MET   1  52.953   7.210 -14.367
    4    HA   MET   1           HA       MET   1  54.388   8.350 -12.878
    5    HB2  MET   1           HB2      MET   1  56.652   9.112 -13.958
    6    HB3  MET   1           HB1      MET   1  56.527   7.488 -13.282
    7    HG2  MET   1           HG2      MET   1  56.489   6.474 -15.359
    8    HG3  MET   1           HG1      MET   1  55.763   7.875 -16.145
    9    HE1  MET   1           HE1      MET   1  58.208   6.183 -17.374
   10    HE2  MET   1           HE2      MET   1  59.045   7.555 -18.098
   11    HE3  MET   1           HE3      MET   1  57.284   7.503 -18.104
   12    H    GLU   2           HN       GLU   2  53.680  10.389 -12.825
   13    HA   GLU   2           HA       GLU   2  52.813  11.686 -15.271
   14    HB2  GLU   2           HB2      GLU   2  52.737  12.651 -12.401
   15    HB3  GLU   2           HB1      GLU   2  51.921  13.410 -13.768
   16    HG2  GLU   2           HG2      GLU   2  50.199  11.973 -13.610
   17    HG3  GLU   2           HG1      GLU   2  51.292  10.592 -13.680
   18    H    GLU   3           HN       GLU   3  55.759  11.307 -14.129
   19    HA   GLU   3           HA       GLU   3  56.819  13.617 -15.424
   20    HB2  GLU   3           HB2      GLU   3  56.084  14.034 -12.754
   21    HB3  GLU   3           HB1      GLU   3  57.831  13.793 -12.714
   22    HG2  GLU   3           HG2      GLU   3  58.073  15.476 -14.535
   23    HG3  GLU   3           HG1      GLU   3  56.336  15.765 -14.465
   24    H    GLY   4           HN       GLY   4  57.568  11.289 -12.824
   25    HA2  GLY   4           HA2      GLY   4  59.207   9.666 -12.696
   26    HA3  GLY   4           HA1      GLY   4  59.535   9.937 -14.406
   27    H    GLY   5           HN       GLY   5  59.593  12.784 -12.557
   28    HA2  GLY   5           HA2      GLY   5  61.305  14.259 -12.094
   29    HA3  GLY   5           HA1      GLY   5  62.073  12.860 -11.351
   30    H    ASP   6           HN       ASP   6  64.125  13.704 -12.027
   31    HA   ASP   6           HA       ASP   6  64.742  13.008 -14.821
   32    HB2  ASP   6           HB2      ASP   6  64.997  15.651 -13.545
   33    HB3  ASP   6           HB1      ASP   6  66.442  15.100 -14.390
   34    H    PHE   7           HN       PHE   7  65.221  12.201 -11.785
   35    HA   PHE   7           HA       PHE   7  67.973  11.310 -12.282
   36    HB2  PHE   7           HB2      PHE   7  67.120  12.628  -9.693
   37    HB3  PHE   7           HB1      PHE   7  68.718  11.985 -10.069
   38    HD1  PHE   7           HD2      PHE   7  70.116  13.056 -11.842
   39    HD2  PHE   7           HD1      PHE   7  66.408  14.770 -10.514
   40    HE1  PHE   7           HE2      PHE   7  70.746  15.220 -12.876
   41    HE2  PHE   7           HE1      PHE   7  67.038  16.934 -11.548
   42    HZ   PHE   7           HZ       PHE   7  69.207  17.159 -12.729
   43    H    ASP   8           HN       ASP   8  65.633   9.809 -12.493
   44    HA   ASP   8           HA       ASP   8  66.114   7.819 -10.408
   45    HB2  ASP   8           HB2      ASP   8  63.461   9.168 -10.884
   46    HB3  ASP   8           HB1      ASP   8  63.569   7.557 -10.177
   47    H    ASN   9           HN       ASN   9  66.969   7.572 -12.949
   48    HA   ASN   9           HA       ASN   9  65.321   5.371 -13.935
   49    HB2  ASN   9           HB2      ASN   9  65.039   7.860 -15.102
   50    HB3  ASN   9           HB1      ASN   9  66.226   7.068 -16.137
   51   HD21  ASN   9          HD21      ASN   9  62.867   7.035 -15.112
   52   HD22  ASN   9          HD22      ASN   9  62.364   5.803 -16.164
   53    H    TYR  10           HN       TYR  10  68.151   7.381 -14.784
   54    HA   TYR  10           HA       TYR  10  69.587   5.027 -15.721
   55    HB2  TYR  10           HB2      TYR  10  69.718   7.849 -16.189
   56    HB3  TYR  10           HB1      TYR  10  71.291   7.294 -15.612
   57    HD1  TYR  10           HD1      TYR  10  68.589   6.453 -18.063
   58    HD2  TYR  10           HD2      TYR  10  72.758   6.175 -17.066
   59    HE1  TYR  10           HE1      TYR  10  69.052   5.451 -20.283
   60    HE2  TYR  10           HE2      TYR  10  73.221   5.172 -19.287
   61    HH   TYR  10           HH       TYR  10  72.331   4.371 -21.163
   62    H    TYR  11           HN       TYR  11  68.880   5.909 -12.767
   63    HA   TYR  11           HA       TYR  11  71.542   5.928 -11.583
   64    HB2  TYR  11           HB2      TYR  11  68.763   6.369 -10.628
   65    HB3  TYR  11           HB1      TYR  11  69.916   5.728  -9.458
   66    HD1  TYR  11           HD1      TYR  11  70.037   8.232 -12.256
   67    HD2  TYR  11           HD2      TYR  11  70.908   7.376  -8.137
   68    HE1  TYR  11           HE1      TYR  11  71.018  10.495 -11.991
   69    HE2  TYR  11           HE2      TYR  11  71.887   9.636  -7.874
   70    HH   TYR  11           HH       TYR  11  72.875  11.384  -9.268
   71    H    GLY  12           HN       GLY  12  72.248   3.843 -12.302
   72    HA2  GLY  12           HA2      GLY  12  72.459   1.539 -12.214
   73    HA3  GLY  12           HA1      GLY  12  72.202   1.803 -10.492
   74    H    ALA  13           HN       ALA  13  70.345   1.558 -13.529
   75    HA   ALA  13           HA       ALA  13  68.702  -0.550 -12.644
   76    HB1  ALA  13           HB1      ALA  13  67.758   2.210 -12.035
   77    HB2  ALA  13           HB2      ALA  13  67.471   0.703 -11.165
   78    HB3  ALA  13           HB3      ALA  13  66.571   1.055 -12.640
   79    H    ASP  14           HN       ASP  14  67.316   2.266 -14.212
   80    HA   ASP  14           HA       ASP  14  66.452   2.542 -16.326
   81    HB2  ASP  14           HB2      ASP  14  68.896   2.757 -16.771
   82    HB3  ASP  14           HB1      ASP  14  68.948   1.033 -17.135
   83    H    ASN  15           HN       ASN  15  66.281  -0.231 -14.811
   84    HA   ASN  15           HA       ASN  15  65.367  -2.314 -15.196
   85    HB2  ASN  15           HB2      ASN  15  63.760  -0.302 -16.620
   86    HB3  ASN  15           HB1      ASN  15  63.532  -1.953 -17.194
   87   HD21  ASN  15          HD21      ASN  15  64.010  -0.451 -13.936
   88   HD22  ASN  15          HD22      ASN  15  62.706  -1.266 -13.218
   89    H    GLN  16           HN       GLN  16  67.038  -3.527 -16.030
   90    HA   GLN  16           HA       GLN  16  67.621  -3.413 -18.888
   91    HB2  GLN  16           HB2      GLN  16  69.020  -4.253 -16.511
   92    HB3  GLN  16           HB1      GLN  16  69.015  -5.554 -17.702
   93    HG2  GLN  16           HG2      GLN  16  70.950  -4.082 -18.055
   94    HG3  GLN  16           HG1      GLN  16  69.839  -3.976 -19.419
   95   HE21  GLN  16          HE21      GLN  16  69.017  -2.428 -16.360
   96   HE22  GLN  16          HE22      GLN  16  69.240  -0.835 -16.900
   97    H    SER  17           HN       SER  17  66.354  -5.716 -16.501
   98    HA   SER  17           HA       SER  17  64.670  -6.972 -18.448
   99    HB2  SER  17           HB2      SER  17  66.717  -8.068 -19.130
  100    HB3  SER  17           HB1      SER  17  67.103  -8.476 -17.461
  101    HG   SER  17           HG       SER  17  64.608  -9.286 -18.184
  102    H    GLU  18           HN       GLU  18  64.347  -5.726 -15.899
  103    HA   GLU  18           HA       GLU  18  64.063  -7.670 -13.829
  104    HB2  GLU  18           HB2      GLU  18  63.948  -4.903 -13.984
  105    HB3  GLU  18           HB1      GLU  18  62.288  -5.366 -13.610
  106    HG2  GLU  18           HG2      GLU  18  63.407  -5.126 -11.506
  107    HG3  GLU  18           HG1      GLU  18  63.234  -6.859 -11.785
  108    H    CYS  19           HN       CYS  19  61.866  -8.039 -12.781
  109    HA   CYS  19           HA       CYS  19  59.887  -9.212 -12.946
  110    HB2  CYS  19           HB2      CYS  19  59.488  -6.832 -14.747
  111    HB3  CYS  19           HB1      CYS  19  58.201  -8.009 -14.484
  112    HG   CYS  19           HG       CYS  19  57.891  -7.184 -12.149
  113    H    GLU  20           HN       GLU  20  62.133  -9.748 -14.978
  114    HA   GLU  20           HA       GLU  20  60.488 -11.437 -16.744
  115    HB2  GLU  20           HB2      GLU  20  62.616  -9.473 -17.554
  116    HB3  GLU  20           HB1      GLU  20  62.297 -10.905 -18.533
  117    HG2  GLU  20           HG2      GLU  20  59.921  -9.343 -17.669
  118    HG3  GLU  20           HG1      GLU  20  60.962  -8.583 -18.871
  119    H    TYR  21           HN       TYR  21  62.230 -11.779 -14.286
  120    HA   TYR  21           HA       TYR  21  64.356 -13.501 -15.358
  121    HB2  TYR  21           HB2      TYR  21  63.925 -12.000 -12.876
  122    HB3  TYR  21           HB1      TYR  21  64.537 -13.633 -12.614
  123    HD1  TYR  21           HD2      TYR  21  65.176 -10.422 -14.365
  124    HD2  TYR  21           HD1      TYR  21  66.765 -14.252 -13.247
  125    HE1  TYR  21           HE2      TYR  21  67.437  -9.690 -15.072
  126    HE2  TYR  21           HE1      TYR  21  69.026 -13.521 -13.955
  127    HH   TYR  21           HH       TYR  21  69.627 -11.040 -15.906
  128    H    THR  22           HN       THR  22  61.244 -13.930 -15.003
  129    HA   THR  22           HA       THR  22  59.979 -15.861 -14.879
  130    HB   THR  22           HB       THR  22  62.171 -17.523 -13.770
  131    HG1  THR  22           HG1      THR  22  63.431 -17.333 -15.466
  132   HG21  THR  22          HG21      THR  22  61.292 -19.106 -15.416
  133   HG22  THR  22          HG22      THR  22  60.272 -17.845 -16.110
  134   HG23  THR  22          HG23      THR  22  59.967 -18.424 -14.473
  135    H    ASP  23           HN       ASP  23  60.440 -13.948 -12.705
  136    HA   ASP  23           HA       ASP  23  59.497 -15.648 -10.498
  137    HB2  ASP  23           HB2      ASP  23  60.885 -14.298  -8.908
  138    HB3  ASP  23           HB1      ASP  23  61.830 -15.328  -9.982
  139    H    TRP  24           HN       TRP  24  58.459 -13.567 -12.503
  140    HA   TRP  24           HA       TRP  24  57.518 -11.476 -10.678
  141    HB2  TRP  24           HB2      TRP  24  56.764 -10.320 -12.622
  142    HB3  TRP  24           HB1      TRP  24  58.345 -10.986 -13.033
  143    HD1  TRP  24           HD1      TRP  24  58.339 -13.297 -14.488
  144    HE1  TRP  24           HE1      TRP  24  56.663 -14.120 -16.264
  145    HE3  TRP  24           HE3      TRP  24  54.344 -10.315 -13.381
  146    HZ2  TRP  24           HZ2      TRP  24  53.982 -13.586 -17.105
  147    HZ3  TRP  24           HZ3      TRP  24  52.244 -10.492 -14.684
  148    HH2  TRP  24           HH2      TRP  24  52.058 -12.123 -16.542
  149    H    LYS  25           HN       LYS  25  56.483 -14.429 -12.116
  150    HA   LYS  25           HA       LYS  25  53.656 -13.851 -11.558
  151    HB2  LYS  25           HB2      LYS  25  53.486 -16.271 -12.586
  152    HB3  LYS  25           HB1      LYS  25  53.734 -14.875 -13.633
  153    HG2  LYS  25           HG2      LYS  25  55.284 -16.750 -14.172
  154    HG3  LYS  25           HG1      LYS  25  56.145 -15.292 -13.678
  155    HD2  LYS  25           HD2      LYS  25  56.614 -16.166 -11.521
  156    HD3  LYS  25           HD1      LYS  25  55.417 -17.452 -11.696
  157    HE2  LYS  25           HE2      LYS  25  57.571 -17.390 -13.739
  158    HE3  LYS  25           HE1      LYS  25  58.061 -17.845 -12.106
  159    HZ1  LYS  25           HZ1      LYS  25  57.037 -19.553 -13.874
  160    HZ2  LYS  25           HZ2      LYS  25  55.618 -19.074 -13.072
  161    HZ3  LYS  25           HZ3      LYS  25  56.905 -19.752 -12.194
  162    H    SER  26           HN       SER  26  56.058 -14.605  -9.674
  163    HA   SER  26           HA       SER  26  54.468 -16.497  -8.066
  164    HB2  SER  26           HB2      SER  26  57.407 -16.707  -8.727
  165    HB3  SER  26           HB1      SER  26  56.661 -17.567  -7.384
  166    HG   SER  26           HG       SER  26  55.258 -17.790  -9.714
  167    H    SER  27           HN       SER  27  57.553 -14.706  -7.858
  168    HA   SER  27           HA       SER  27  57.195 -14.117  -5.081
  169    HB2  SER  27           HB2      SER  27  59.264 -13.012  -5.212
  170    HB3  SER  27           HB1      SER  27  59.394 -14.274  -6.435
  171    HG   SER  27           HG       SER  27  58.312 -12.332  -7.706
  172    H    GLY  28           HN       GLY  28  55.291 -13.123  -7.368
  173    HA2  GLY  28           HA2      GLY  28  54.978 -10.412  -6.233
  174    HA3  GLY  28           HA1      GLY  28  54.904 -10.664  -7.974
  175    H    ALA  29           HN       ALA  29  53.665 -13.159  -5.942
  176    HA   ALA  29           HA       ALA  29  50.937 -12.166  -5.948
  177    HB1  ALA  29           HB1      ALA  29  50.882 -13.000  -8.162
  178    HB2  ALA  29           HB2      ALA  29  50.168 -14.280  -7.182
  179    HB3  ALA  29           HB3      ALA  29  51.836 -14.421  -7.737
  180    H    LEU  30           HN       LEU  30  53.420 -14.008  -4.707
  181    HA   LEU  30           HA       LEU  30  51.623 -15.754  -3.156
  182    HB2  LEU  30           HB2      LEU  30  54.428 -15.931  -4.069
  183    HB3  LEU  30           HB1      LEU  30  54.133 -16.511  -2.430
  184    HG   LEU  30           HG       LEU  30  52.344 -17.351  -4.706
  185   HD11  LEU  30          HD11      LEU  30  53.841 -19.460  -4.689
  186   HD12  LEU  30          HD12      LEU  30  55.056 -18.428  -3.934
  187   HD13  LEU  30          HD13      LEU  30  54.445 -18.041  -5.543
  188   HD21  LEU  30          HD21      LEU  30  53.082 -19.154  -2.474
  189   HD22  LEU  30          HD22      LEU  30  51.502 -18.840  -3.189
  190   HD23  LEU  30          HD23      LEU  30  52.172 -17.718  -2.005
  191    H    ILE  31           HN       ILE  31  53.759 -13.026  -2.922
  192    HA   ILE  31           HA       ILE  31  53.768 -13.130   0.003
  193    HB   ILE  31           HB       ILE  31  54.947 -10.775  -1.296
  194   HG12  ILE  31          HG12      ILE  31  55.457 -12.402  -3.048
  195   HG13  ILE  31          HG11      ILE  31  56.919 -12.077  -2.121
  196   HG21  ILE  31          HG21      ILE  31  55.234 -11.384   1.087
  197   HG22  ILE  31          HG22      ILE  31  56.777 -11.327   0.236
  198   HG23  ILE  31          HG23      ILE  31  56.025 -12.882   0.598
  199   HD11  ILE  31          HD11      ILE  31  55.474 -14.582  -2.463
  200   HD12  ILE  31          HD12      ILE  31  55.704 -14.199  -0.759
  201   HD13  ILE  31          HD13      ILE  31  57.096 -14.307  -1.834
  202    HA   PRO  32           HA       PRO  32  51.320  -9.170  -0.689
  203    HB2  PRO  32           HB2      PRO  32  50.394  -8.502  -3.148
  204    HB3  PRO  32           HB1      PRO  32  52.038  -8.108  -2.610
  205    HG2  PRO  32           HG2      PRO  32  51.113 -10.206  -4.475
  206    HG3  PRO  32           HG1      PRO  32  52.636  -9.307  -4.447
  207    HD2  PRO  32           HD2      PRO  32  52.224 -11.931  -3.489
  208    HD3  PRO  32           HD1      PRO  32  53.657 -10.922  -3.203
  209    H    ALA  33           HN       ALA  33  50.434 -12.046  -0.733
  210    HA   ALA  33           HA       ALA  33  47.553 -11.571  -1.223
  211    HB1  ALA  33           HB1      ALA  33  49.185 -14.066  -1.719
  212    HB2  ALA  33           HB2      ALA  33  48.280 -13.121  -2.901
  213    HB3  ALA  33           HB3      ALA  33  47.422 -14.054  -1.674
  214    H    ILE  34           HN       ILE  34  49.869 -12.007   1.063
  215    HA   ILE  34           HA       ILE  34  47.899 -12.870   3.043
  216    HB   ILE  34           HB       ILE  34  50.155 -14.280   3.824
  217   HG12  ILE  34          HG12      ILE  34  49.642 -14.783   0.877
  218   HG13  ILE  34          HG11      ILE  34  51.035 -13.892   1.493
  219   HG21  ILE  34          HG21      ILE  34  47.706 -15.231   2.304
  220   HG22  ILE  34          HG22      ILE  34  47.812 -14.996   4.048
  221   HG23  ILE  34          HG23      ILE  34  48.767 -16.257   3.269
  222   HD11  ILE  34          HD11      ILE  34  50.322 -16.739   2.251
  223   HD12  ILE  34          HD12      ILE  34  51.745 -15.846   2.785
  224   HD13  ILE  34          HD13      ILE  34  51.567 -16.286   1.086
  225    H    TYR  35           HN       TYR  35  51.417 -12.338   2.762
  226    HA   TYR  35           HA       TYR  35  51.997 -11.329   5.219
  227    HB2  TYR  35           HB2      TYR  35  53.957 -11.143   4.158
  228    HB3  TYR  35           HB1      TYR  35  53.156 -11.172   2.590
  229    HD1  TYR  35           HD2      TYR  35  53.811  -8.870   5.477
  230    HD2  TYR  35           HD1      TYR  35  53.198  -9.265   1.245
  231    HE1  TYR  35           HE2      TYR  35  54.302  -6.460   5.179
  232    HE2  TYR  35           HE1      TYR  35  53.691  -6.862   0.945
  233    HH   TYR  35           HH       TYR  35  55.108  -4.959   3.361
  234    H    MET  36           HN       MET  36  50.088  -9.801   2.748
  235    HA   MET  36           HA       MET  36  50.208  -7.149   3.851
  236    HB2  MET  36           HB2      MET  36  47.924  -8.109   2.164
  237    HB3  MET  36           HB1      MET  36  48.734  -6.542   2.162
  238    HG2  MET  36           HG2      MET  36  50.825  -7.993   1.423
  239    HG3  MET  36           HG1      MET  36  49.577  -9.113   0.880
  240    HE1  MET  36           HE1      MET  36  51.110  -5.720   0.827
  241    HE2  MET  36           HE2      MET  36  50.899  -5.161  -0.830
  242    HE3  MET  36           HE3      MET  36  51.863  -6.601  -0.509
  243    H    LEU  37           HN       LEU  37  47.642  -9.633   3.765
  244    HA   LEU  37           HA       LEU  37  45.755  -8.407   5.355
  245    HB2  LEU  37           HB2      LEU  37  46.516 -11.274   4.929
  246    HB3  LEU  37           HB1      LEU  37  45.303 -10.872   6.145
  247    HG   LEU  37           HG       LEU  37  43.983  -9.670   4.459
  248   HD11  LEU  37          HD11      LEU  37  46.287 -10.455   2.661
  249   HD12  LEU  37          HD12      LEU  37  45.673  -8.834   2.985
  250   HD13  LEU  37          HD13      LEU  37  44.713  -9.965   2.032
  251   HD21  LEU  37          HD21      LEU  37  43.541 -12.060   4.744
  252   HD22  LEU  37          HD22      LEU  37  44.829 -12.458   3.608
  253   HD23  LEU  37          HD23      LEU  37  43.376 -11.633   3.042
  254    H    VAL  38           HN       VAL  38  48.869  -9.523   6.259
  255    HA   VAL  38           HA       VAL  38  48.191  -9.538   9.118
  256    HB   VAL  38           HB       VAL  38  50.932 -10.068   8.008
  257   HG11  VAL  38          HG11      VAL  38  50.491  -9.892  10.475
  258   HG12  VAL  38          HG12      VAL  38  51.104 -11.470   9.983
  259   HG13  VAL  38          HG13      VAL  38  49.388 -11.260  10.329
  260   HG21  VAL  38          HG21      VAL  38  49.917 -11.651   6.689
  261   HG22  VAL  38          HG22      VAL  38  48.458 -11.689   7.678
  262   HG23  VAL  38          HG23      VAL  38  49.900 -12.560   8.200
  263    H    PHE  39           HN       PHE  39  50.493  -8.009   6.867
  264    HA   PHE  39           HA       PHE  39  51.812  -6.295   8.560
  265    HB2  PHE  39           HB2      PHE  39  52.079  -6.598   6.020
  266    HB3  PHE  39           HB1      PHE  39  50.822  -5.372   5.869
  267    HD1  PHE  39           HD2      PHE  39  54.092  -6.019   7.576
  268    HD2  PHE  39           HD1      PHE  39  51.392  -3.098   5.956
  269    HE1  PHE  39           HE2      PHE  39  55.778  -4.242   7.970
  270    HE2  PHE  39           HE1      PHE  39  53.077  -1.322   6.349
  271    HZ   PHE  39           HZ       PHE  39  55.270  -1.894   7.356
  272    H    LEU  40           HN       LEU  40  48.628  -5.821   7.066
  273    HA   LEU  40           HA       LEU  40  48.260  -3.379   8.673
  274    HB2  LEU  40           HB2      LEU  40  46.836  -4.483   6.252
  275    HB3  LEU  40           HB1      LEU  40  46.183  -3.148   7.204
  276    HG   LEU  40           HG       LEU  40  49.024  -2.826   6.521
  277   HD11  LEU  40          HD11      LEU  40  48.536  -2.211   4.152
  278   HD12  LEU  40          HD12      LEU  40  46.914  -2.877   4.342
  279   HD13  LEU  40          HD13      LEU  40  48.321  -3.934   4.460
  280   HD21  LEU  40          HD21      LEU  40  47.543  -1.088   7.535
  281   HD22  LEU  40          HD22      LEU  40  46.576  -1.092   6.060
  282   HD23  LEU  40          HD23      LEU  40  48.257  -0.559   6.011
  283    H    LEU  41           HN       LEU  41  48.236  -5.492  10.291
  284    HA   LEU  41           HA       LEU  41  45.576  -5.483  11.346
  285    HB2  LEU  41           HB2      LEU  41  45.118  -7.157   9.691
  286    HB3  LEU  41           HB1      LEU  41  46.620  -8.007  10.046
  287    HG   LEU  41           HG       LEU  41  45.814  -8.696  12.210
  288   HD11  LEU  41          HD11      LEU  41  43.605  -6.720  11.636
  289   HD12  LEU  41          HD12      LEU  41  44.655  -6.811  13.051
  290   HD13  LEU  41          HD13      LEU  41  43.388  -8.015  12.814
  291   HD21  LEU  41          HD21      LEU  41  43.279  -9.102  10.738
  292   HD22  LEU  41          HD22      LEU  41  44.382 -10.290  11.431
  293   HD23  LEU  41          HD23      LEU  41  44.737  -9.569   9.861
  294    H    GLY  42           HN       GLY  42  48.385  -7.695  11.348
  295    HA2  GLY  42           HA2      GLY  42  48.371  -8.323  14.056
  296    HA3  GLY  42           HA1      GLY  42  49.810  -8.338  13.039
  297    H    THR  43           HN       THR  43  49.088  -5.337  12.565
  298    HA   THR  43           HA       THR  43  50.001  -4.264  15.148
  299    HB   THR  43           HB       THR  43  52.090  -4.252  14.202
  300    HG1  THR  43           HG1      THR  43  52.465  -2.215  13.651
  301   HG21  THR  43          HG21      THR  43  50.601  -4.212  11.584
  302   HG22  THR  43          HG22      THR  43  51.721  -5.429  12.198
  303   HG23  THR  43          HG23      THR  43  52.331  -3.870  11.646
  304    H    THR  44           HN       THR  44  50.000  -2.573  12.076
  305    HA   THR  44           HA       THR  44  48.743  -0.824  11.275
  306    HB   THR  44           HB       THR  44  46.433  -0.971  11.447
  307    HG1  THR  44           HG1      THR  44  45.574  -2.096  13.424
  308   HG21  THR  44          HG21      THR  44  45.985  -3.191  11.057
  309   HG22  THR  44          HG22      THR  44  46.865  -3.729  12.487
  310   HG23  THR  44          HG23      THR  44  47.747  -3.270  11.030
  311    H    GLY  45           HN       GLY  45  49.744  -1.136  14.404
  312    HA2  GLY  45           HA2      GLY  45  50.423   0.567  15.850
  313    HA3  GLY  45           HA1      GLY  45  49.517   1.722  14.877
  314    H    ASN  46           HN       ASN  46  48.077  -1.243  16.021
  315    HA   ASN  46           HA       ASN  46  46.695   0.174  18.193
  316    HB2  ASN  46           HB2      ASN  46  44.631   0.040  17.288
  317    HB3  ASN  46           HB1      ASN  46  45.478  -0.136  15.752
  318   HD21  ASN  46          HD21      ASN  46  46.177  -2.574  15.326
  319   HD22  ASN  46          HD22      ASN  46  44.999  -3.739  15.696
  320    H    GLY  47           HN       GLY  47  48.580  -2.282  17.399
  321    HA2  GLY  47           HA2      GLY  47  47.351  -4.117  19.369
  322    HA3  GLY  47           HA1      GLY  47  48.106  -4.715  17.896
  323    H    LEU  48           HN       LEU  48  49.619  -1.965  19.233
  324    HA   LEU  48           HA       LEU  48  51.433  -3.452  20.952
  325    HB2  LEU  48           HB2      LEU  48  53.424  -2.559  19.601
  326    HB3  LEU  48           HB1      LEU  48  52.558  -3.942  18.931
  327    HG   LEU  48           HG       LEU  48  51.412  -1.368  18.119
  328   HD11  LEU  48          HD11      LEU  48  53.254  -0.859  16.517
  329   HD12  LEU  48          HD12      LEU  48  54.244  -2.088  17.303
  330   HD13  LEU  48          HD13      LEU  48  53.749  -0.651  18.197
  331   HD21  LEU  48          HD21      LEU  48  51.271  -2.473  16.005
  332   HD22  LEU  48          HD22      LEU  48  50.977  -3.725  17.212
  333   HD23  LEU  48          HD23      LEU  48  52.555  -3.605  16.432
  334    H    VAL  49           HN       VAL  49  49.558  -0.987  20.753
  335    HA   VAL  49           HA       VAL  49  51.334   0.771  22.291
  336    HB   VAL  49           HB       VAL  49  50.011   2.675  20.962
  337   HG11  VAL  49          HG11      VAL  49  52.531   1.201  20.175
  338   HG12  VAL  49          HG12      VAL  49  52.391   2.699  21.096
  339   HG13  VAL  49          HG13      VAL  49  52.023   2.687  19.371
  340   HG21  VAL  49          HG21      VAL  49  48.972   0.674  19.602
  341   HG22  VAL  49          HG22      VAL  49  50.513   0.706  18.746
  342   HG23  VAL  49          HG23      VAL  49  49.477   2.134  18.751
  343    H    LEU  50           HN       LEU  50  48.060   0.055  21.149
  344    HA   LEU  50           HA       LEU  50  46.916   1.448  23.456
  345    HB2  LEU  50           HB2      LEU  50  45.931   1.755  21.176
  346    HB3  LEU  50           HB1      LEU  50  45.512   0.044  21.170
  347    HG   LEU  50           HG       LEU  50  44.162   0.394  23.239
  348   HD11  LEU  50          HD11      LEU  50  43.593   2.998  23.473
  349   HD12  LEU  50          HD12      LEU  50  45.251   3.157  22.897
  350   HD13  LEU  50          HD13      LEU  50  44.916   2.257  24.375
  351   HD21  LEU  50          HD21      LEU  50  42.775   2.359  21.730
  352   HD22  LEU  50          HD22      LEU  50  42.493   0.618  21.749
  353   HD23  LEU  50          HD23      LEU  50  43.607   1.318  20.574
  354    H    TRP  51           HN       TRP  51  47.148  -1.785  22.040
  355    HA   TRP  51           HA       TRP  51  45.571  -3.053  24.074
  356    HB2  TRP  51           HB2      TRP  51  45.671  -4.781  22.650
  357    HB3  TRP  51           HB1      TRP  51  46.682  -3.794  21.594
  358    HD1  TRP  51           HD1      TRP  51  49.404  -3.824  22.283
  359    HE1  TRP  51           HE1      TRP  51  50.822  -5.853  23.001
  360    HE3  TRP  51           HE3      TRP  51  45.698  -7.024  23.735
  361    HZ2  TRP  51           HZ2      TRP  51  50.437  -8.485  24.055
  362    HZ3  TRP  51           HZ3      TRP  51  46.252  -9.284  24.590
  363    HH2  TRP  51           HH2      TRP  51  48.615 -10.016  24.750
  364    H    THR  52           HN       THR  52  48.947  -2.267  23.641
  365    HA   THR  52           HA       THR  52  49.842  -3.941  25.830
  366    HB   THR  52           HB       THR  52  51.326  -3.504  23.922
  367    HG1  THR  52           HG1      THR  52  53.011  -2.363  25.378
  368   HG21  THR  52          HG21      THR  52  51.320  -0.630  24.880
  369   HG22  THR  52          HG22      THR  52  50.445  -1.207  23.461
  370   HG23  THR  52          HG23      THR  52  52.206  -1.282  23.501
  371    H    VAL  53           HN       VAL  53  47.771  -2.006  26.440
  372    HA   VAL  53           HA       VAL  53  49.213  -0.427  28.481
  373    HB   VAL  53           HB       VAL  53  46.671   0.553  27.206
  374   HG11  VAL  53          HG11      VAL  53  47.433   1.593  29.304
  375   HG12  VAL  53          HG12      VAL  53  47.579   2.728  27.962
  376   HG13  VAL  53          HG13      VAL  53  49.011   1.908  28.583
  377   HG21  VAL  53          HG21      VAL  53  49.517   1.005  26.252
  378   HG22  VAL  53          HG22      VAL  53  48.124   1.943  25.713
  379   HG23  VAL  53          HG23      VAL  53  48.221   0.220  25.349
  380    H    PHE  54           HN       PHE  54  46.995  -2.812  27.814
  381    HA   PHE  54           HA       PHE  54  45.860  -2.601  30.524
  382    HB2  PHE  54           HB2      PHE  54  44.398  -2.199  28.131
  383    HB3  PHE  54           HB1      PHE  54  43.930  -3.780  28.757
  384    HD1  PHE  54           HD1      PHE  54  42.939  -4.009  31.002
  385    HD2  PHE  54           HD2      PHE  54  43.935  -0.162  29.369
  386    HE1  PHE  54           HE1      PHE  54  41.561  -2.911  32.748
  387    HE2  PHE  54           HE2      PHE  54  42.557   0.935  31.115
  388    HZ   PHE  54           HZ       PHE  54  41.370  -0.440  32.804
  389    H    ARG  55           HN       ARG  55  47.855  -4.265  28.747
  390    HA   ARG  55           HA       ARG  55  46.913  -6.896  29.709
  391    HB2  ARG  55           HB2      ARG  55  47.770  -7.958  27.784
  392    HB3  ARG  55           HB1      ARG  55  46.822  -6.595  27.210
  393    HG2  ARG  55           HG2      ARG  55  48.642  -5.998  26.016
  394    HG3  ARG  55           HG1      ARG  55  49.334  -5.467  27.544
  395    HD2  ARG  55           HD2      ARG  55  49.592  -8.322  26.582
  396    HD3  ARG  55           HD1      ARG  55  50.740  -7.077  26.117
  397    HE   ARG  55           HE       ARG  55  50.710  -6.854  28.811
  398   HH11  ARG  55          HH21      ARG  55  51.002  -9.521  26.626
  399   HH12  ARG  55          HH22      ARG  55  51.983 -10.467  27.694
  400   HH21  ARG  55          HH11      ARG  55  51.991  -8.093  30.220
  401   HH22  ARG  55          HH12      ARG  55  52.544  -9.659  29.728
  402    H    LYS  56           HN       LYS  56  49.436  -4.572  29.543
  403    HA   LYS  56           HA       LYS  56  51.377  -6.472  30.689
  404    HB2  LYS  56           HB2      LYS  56  53.072  -4.810  30.166
  405    HB3  LYS  56           HB1      LYS  56  52.094  -5.116  28.730
  406    HG2  LYS  56           HG2      LYS  56  51.815  -2.874  28.639
  407    HG3  LYS  56           HG1      LYS  56  50.704  -3.085  29.993
  408    HD2  LYS  56           HD2      LYS  56  52.691  -2.863  31.539
  409    HD3  LYS  56           HD1      LYS  56  53.655  -2.415  30.132
  410    HE2  LYS  56           HE2      LYS  56  52.962  -0.293  30.435
  411    HE3  LYS  56           HE1      LYS  56  51.348  -0.825  29.965
  412    HZ1  LYS  56           HZ1      LYS  56  50.883  -1.365  32.264
  413    HZ2  LYS  56           HZ2      LYS  56  51.346   0.263  32.128
  414    HZ3  LYS  56           HZ3      LYS  56  52.444  -0.887  32.725
  415    H    LYS  57           HN       LYS  57  49.246  -3.938  31.516
  416    HA   LYS  57           HA       LYS  57  50.511  -2.622  33.603
  417    HB2  LYS  57           HB2      LYS  57  47.611  -3.478  33.444
  418    HB3  LYS  57           HB1      LYS  57  48.254  -2.241  34.524
  419    HG2  LYS  57           HG2      LYS  57  48.842  -1.991  31.604
  420    HG3  LYS  57           HG1      LYS  57  47.214  -1.597  32.157
  421    HD2  LYS  57           HD2      LYS  57  49.552  -0.482  33.665
  422    HD3  LYS  57           HD1      LYS  57  49.103   0.259  32.129
  423    HE2  LYS  57           HE2      LYS  57  47.015   0.939  32.910
  424    HE3  LYS  57           HE1      LYS  57  46.969  -0.300  34.165
  425    HZ1  LYS  57           HZ1      LYS  57  47.405   2.041  34.933
  426    HZ2  LYS  57           HZ2      LYS  57  48.927   1.921  34.187
  427    HZ3  LYS  57           HZ3      LYS  57  48.517   0.874  35.461
  428    H    GLY  58           HN       GLY  58  49.130  -5.841  33.504
  429    HA2  GLY  58           HA2      GLY  58  50.220  -6.338  36.203
  430    HA3  GLY  58           HA1      GLY  58  48.589  -6.858  35.796
  431    H    HIS  59           HN       HIS  59  49.732  -7.309  32.971
  432    HA   HIS  59           HA       HIS  59  50.558  -9.066  31.742
  433    HB2  HIS  59           HB2      HIS  59  52.072  -9.999  34.168
  434    HB3  HIS  59           HB1      HIS  59  52.522 -10.124  32.468
  435    HD2  HIS  59           HD2      HIS  59  53.362  -7.587  31.295
  436    HE1  HIS  59           HE1      HIS  59  54.017  -5.734  35.031
  437    HE2  HIS  59           HE2      HIS  59  54.408  -5.537  32.530
  438    H    HIS  60           HN       HIS  60  50.412 -10.437  35.034
  439    HA   HIS  60           HA       HIS  60  48.203 -12.177  34.187
  440    HB2  HIS  60           HB2      HIS  60  50.916 -13.083  35.117
  441    HB3  HIS  60           HB1      HIS  60  49.486 -14.078  35.401
  442    HD2  HIS  60           HD2      HIS  60  51.257 -12.450  32.220
  443    HE1  HIS  60           HE1      HIS  60  49.155 -15.911  31.028
  444    HE2  HIS  60           HE2      HIS  60  50.693 -14.052  30.237
  445    H    HIS  61           HN       HIS  61  48.739  -9.864  36.085
  446    HA   HIS  61           HA       HIS  61  48.175  -9.220  38.221
  447    HB2  HIS  61           HB2      HIS  61  46.391 -11.607  38.458
  448    HB3  HIS  61           HB1      HIS  61  46.085  -9.928  38.904
  449    HD2  HIS  61           HD2      HIS  61  45.869  -8.202  36.432
  450    HE1  HIS  61           HE1      HIS  61  44.335 -11.426  34.179
  451    HE2  HIS  61           HE2      HIS  61  44.638  -8.905  34.239
  452    H    HIS  62           HN       HIS  62  49.933  -9.492  39.504
  453    HA   HIS  62           HA       HIS  62  51.476 -10.536  40.882
  454    HB2  HIS  62           HB2      HIS  62  49.264 -10.240  42.201
  455    HB3  HIS  62           HB1      HIS  62  49.098 -11.987  42.018
  456    HD2  HIS  62           HD2      HIS  62  52.359 -12.691  42.477
  457    HE1  HIS  62           HE1      HIS  62  51.735 -10.874  46.237
  458    HE2  HIS  62           HE2      HIS  62  53.278 -12.388  44.903
  459    H    HIS  63           HN       HIS  63  52.615 -11.841  39.425
  460    HA   HIS  63           HA       HIS  63  51.721 -14.407  38.577
  461    HB2  HIS  63           HB2      HIS  63  54.320 -14.658  38.197
  462    HB3  HIS  63           HB1      HIS  63  53.369 -13.570  37.185
  463    HD2  HIS  63           HD2      HIS  63  54.351 -12.445  40.821
  464    HE1  HIS  63           HE1      HIS  63  56.563 -10.115  38.082
  465    HE2  HIS  63           HE2      HIS  63  55.968 -10.415  40.532
  466    H    HIS  64           HN       HIS  64  50.993 -15.152  40.741
  467    HA   HIS  64           HA       HIS  64  53.006 -15.837  42.697
  468    HB2  HIS  64           HB2      HIS  64  50.689 -15.267  43.356
  469    HB3  HIS  64           HB1      HIS  64  50.110 -16.701  42.506
  470    HD2  HIS  64           HD2      HIS  64  53.229 -16.570  44.977
  471    HE1  HIS  64           HE1      HIS  64  50.436 -19.390  46.419
  472    HE2  HIS  64           HE2      HIS  64  52.736 -18.379  46.795
  Start of MODEL   37
    1    H1   MET   1           HT1      MET   1  78.346   6.648  10.311
    2    H2   MET   1           HT2      MET   1  78.813   5.697   8.983
    3    H3   MET   1           HT3      MET   1  78.787   5.028  10.545
    4    HA   MET   1           HA       MET   1  76.537   5.693   8.769
    5    HB2  MET   1           HB2      MET   1  76.770   3.356  10.642
    6    HB3  MET   1           HB1      MET   1  75.945   3.457   9.086
    7    HG2  MET   1           HG2      MET   1  78.309   3.826   8.090
    8    HG3  MET   1           HG1      MET   1  78.898   3.202   9.631
    9    HE1  MET   1           HE1      MET   1  77.835  -0.285   9.958
   10    HE2  MET   1           HE2      MET   1  78.139   1.269  10.729
   11    HE3  MET   1           HE3      MET   1  79.408   0.502   9.780
   12    H    GLU   2           HN       GLU   2  74.381   5.167   9.951
   13    HA   GLU   2           HA       GLU   2  73.974   7.130  11.943
   14    HB2  GLU   2           HB2      GLU   2  72.305   4.873  10.864
   15    HB3  GLU   2           HB1      GLU   2  71.737   5.849  12.220
   16    HG2  GLU   2           HG2      GLU   2  71.058   6.623   9.859
   17    HG3  GLU   2           HG1      GLU   2  71.740   7.839  10.938
   18    H    GLU   3           HN       GLU   3  75.228   3.987  12.142
   19    HA   GLU   3           HA       GLU   3  74.300   3.319  14.775
   20    HB2  GLU   3           HB2      GLU   3  76.562   2.253  13.074
   21    HB3  GLU   3           HB1      GLU   3  76.135   1.596  14.654
   22    HG2  GLU   3           HG2      GLU   3  73.918   1.016  13.888
   23    HG3  GLU   3           HG1      GLU   3  74.175   1.853  12.359
   24    H    GLY   4           HN       GLY   4  75.073   5.845  15.088
   25    HA2  GLY   4           HA2      GLY   4  77.804   5.810  16.201
   26    HA3  GLY   4           HA1      GLY   4  76.873   7.255  15.817
   27    H    GLY   5           HN       GLY   5  76.354   4.326  17.801
   28    HA2  GLY   5           HA2      GLY   5  75.111   5.986  19.876
   29    HA3  GLY   5           HA1      GLY   5  75.066   4.228  19.785
   30    H    ASP   6           HN       ASP   6  76.229   3.239  21.297
   31    HA   ASP   6           HA       ASP   6  78.819   4.389  22.096
   32    HB2  ASP   6           HB2      ASP   6  76.721   3.409  24.046
   33    HB3  ASP   6           HB1      ASP   6  78.328   4.005  24.456
   34    H    PHE   7           HN       PHE   7  77.340   1.892  20.741
   35    HA   PHE   7           HA       PHE   7  77.889  -0.312  20.397
   36    HB2  PHE   7           HB2      PHE   7  80.252   0.899  20.554
   37    HB3  PHE   7           HB1      PHE   7  80.377  -0.065  22.026
   38    HD1  PHE   7           HD2      PHE   7  79.532  -0.334  18.389
   39    HD2  PHE   7           HD1      PHE   7  80.968  -2.336  21.908
   40    HE1  PHE   7           HE2      PHE   7  80.059  -2.341  17.031
   41    HE2  PHE   7           HE1      PHE   7  81.497  -4.343  20.550
   42    HZ   PHE   7           HZ       PHE   7  81.042  -4.346  18.112
   43    H    ASP   8           HN       ASP   8  76.199   0.266  22.543
   44    HA   ASP   8           HA       ASP   8  76.707  -2.066  24.227
   45    HB2  ASP   8           HB2      ASP   8  76.254   0.702  25.366
   46    HB3  ASP   8           HB1      ASP   8  76.240  -0.792  26.301
   47    H    ASN   9           HN       ASN   9  74.870  -2.081  22.306
   48    HA   ASN   9           HA       ASN   9  72.349  -1.995  23.809
   49    HB2  ASN   9           HB2      ASN   9  72.990  -0.063  21.888
   50    HB3  ASN   9           HB1      ASN   9  71.918  -1.191  21.058
   51   HD21  ASN   9          HD21      ASN   9  72.143   0.662  24.143
   52   HD22  ASN   9          HD22      ASN   9  70.468   0.891  24.292
   53    H    TYR  10           HN       TYR  10  74.050  -2.981  20.858
   54    HA   TYR  10           HA       TYR  10  72.166  -5.220  20.535
   55    HB2  TYR  10           HB2      TYR  10  74.362  -4.429  18.624
   56    HB3  TYR  10           HB1      TYR  10  72.925  -5.395  18.295
   57    HD1  TYR  10           HD1      TYR  10  70.623  -4.247  18.641
   58    HD2  TYR  10           HD2      TYR  10  74.328  -2.105  18.268
   59    HE1  TYR  10           HE1      TYR  10  69.374  -2.189  18.042
   60    HE2  TYR  10           HE2      TYR  10  73.078  -0.049  17.670
   61    HH   TYR  10           HH       TYR  10  69.588   0.113  17.901
   62    H    TYR  11           HN       TYR  11  74.755  -4.722  22.321
   63    HA   TYR  11           HA       TYR  11  76.596  -5.947  23.011
   64    HB2  TYR  11           HB2      TYR  11  75.050  -8.452  22.603
   65    HB3  TYR  11           HB1      TYR  11  75.895  -7.867  24.037
   66    HD1  TYR  11           HD2      TYR  11  72.779  -7.680  22.074
   67    HD2  TYR  11           HD1      TYR  11  74.825  -6.342  25.605
   68    HE1  TYR  11           HE2      TYR  11  70.639  -6.823  22.989
   69    HE2  TYR  11           HE1      TYR  11  72.685  -5.486  26.521
   70    HH   TYR  11           HH       TYR  11  69.987  -4.972  24.708
   71    H    GLY  12           HN       GLY  12  76.748  -5.398  20.257
   72    HA2  GLY  12           HA2      GLY  12  78.465  -6.084  18.761
   73    HA3  GLY  12           HA1      GLY  12  78.313  -7.726  19.378
   74    H    ALA  13           HN       ALA  13  75.746  -5.547  18.263
   75    HA   ALA  13           HA       ALA  13  74.418  -5.622  16.364
   76    HB1  ALA  13           HB1      ALA  13  76.609  -6.778  15.364
   77    HB2  ALA  13           HB2      ALA  13  75.077  -6.777  14.493
   78    HB3  ALA  13           HB3      ALA  13  75.567  -8.200  15.411
   79    H    ASP  14           HN       ASP  14  75.065  -8.405  18.350
   80    HA   ASP  14           HA       ASP  14  73.686 -10.002  19.255
   81    HB2  ASP  14           HB2      ASP  14  71.896  -9.031  20.188
   82    HB3  ASP  14           HB1      ASP  14  72.256  -7.594  19.230
   83    H    ASN  15           HN       ASN  15  73.852  -9.352  16.068
   84    HA   ASN  15           HA       ASN  15  72.280 -11.746  15.385
   85    HB2  ASN  15           HB2      ASN  15  72.022  -9.004  14.195
   86    HB3  ASN  15           HB1      ASN  15  71.722 -10.427  13.198
   87   HD21  ASN  15          HD21      ASN  15  70.238 -12.139  14.500
   88   HD22  ASN  15          HD22      ASN  15  68.879 -11.450  15.250
   89    H    GLN  16           HN       GLN  16  74.473 -12.657  15.437
   90    HA   GLN  16           HA       GLN  16  76.447 -11.780  13.551
   91    HB2  GLN  16           HB2      GLN  16  76.173 -14.379  15.080
   92    HB3  GLN  16           HB1      GLN  16  77.594 -13.898  14.150
   93    HG2  GLN  16           HG2      GLN  16  78.347 -12.726  15.911
   94    HG3  GLN  16           HG1      GLN  16  76.902 -11.720  15.854
   95   HE21  GLN  16          HE21      GLN  16  75.226 -12.132  17.402
   96   HE22  GLN  16          HE22      GLN  16  75.387 -13.284  18.638
   97    H    SER  17           HN       SER  17  74.254 -11.913  12.040
   98    HA   SER  17           HA       SER  17  74.952 -13.641   9.937
   99    HB2  SER  17           HB2      SER  17  72.549 -14.887  10.288
  100    HB3  SER  17           HB1      SER  17  74.105 -15.581  10.737
  101    HG   SER  17           HG       SER  17  73.214 -13.885  12.636
  102    H    GLU  18           HN       GLU  18  72.179 -12.113  11.555
  103    HA   GLU  18           HA       GLU  18  70.382 -10.944  10.679
  104    HB2  GLU  18           HB2      GLU  18  72.480  -9.418  10.593
  105    HB3  GLU  18           HB1      GLU  18  72.407  -9.680   8.850
  106    HG2  GLU  18           HG2      GLU  18  70.057  -8.891   8.844
  107    HG3  GLU  18           HG1      GLU  18  70.167  -8.586  10.577
  108    H    CYS  19           HN       CYS  19  70.143 -13.307   9.575
  109    HA   CYS  19           HA       CYS  19  70.480 -13.657   6.838
  110    HB2  CYS  19           HB2      CYS  19  68.889 -14.871   8.950
  111    HB3  CYS  19           HB1      CYS  19  68.043 -14.877   7.403
  112    HG   CYS  19           HG       CYS  19  70.931 -15.808   7.119
  113    H    GLU  20           HN       GLU  20  68.665 -11.302   8.376
  114    HA   GLU  20           HA       GLU  20  66.367 -11.064   6.788
  115    HB2  GLU  20           HB2      GLU  20  67.395  -9.681   8.899
  116    HB3  GLU  20           HB1      GLU  20  67.650  -8.532   7.586
  117    HG2  GLU  20           HG2      GLU  20  65.469  -8.051   8.385
  118    HG3  GLU  20           HG1      GLU  20  65.212  -9.003   6.924
  119    H    TYR  21           HN       TYR  21  69.685 -10.447   6.070
  120    HA   TYR  21           HA       TYR  21  68.975  -8.920   3.653
  121    HB2  TYR  21           HB2      TYR  21  71.481  -9.253   5.262
  122    HB3  TYR  21           HB1      TYR  21  71.601  -8.806   3.559
  123    HD1  TYR  21           HD2      TYR  21  69.870  -7.858   6.739
  124    HD2  TYR  21           HD1      TYR  21  71.283  -6.575   2.891
  125    HE1  TYR  21           HE2      TYR  21  69.295  -5.514   7.309
  126    HE2  TYR  21           HE1      TYR  21  70.709  -4.232   3.461
  127    HH   TYR  21           HH       TYR  21  69.466  -2.947   4.921
  128    H    THR  22           HN       THR  22  68.914 -11.987   4.329
  129    HA   THR  22           HA       THR  22  69.969 -12.787   1.706
  130    HB   THR  22           HB       THR  22  71.151 -14.677   2.579
  131    HG1  THR  22           HG1      THR  22  69.904 -15.321   4.255
  132   HG21  THR  22          HG21      THR  22  72.902 -13.606   3.833
  133   HG22  THR  22          HG22      THR  22  71.798 -12.360   4.415
  134   HG23  THR  22          HG23      THR  22  72.257 -12.406   2.713
  135    H    ASP  23           HN       ASP  23  67.359 -12.495   3.470
  136    HA   ASP  23           HA       ASP  23  66.084 -14.854   2.292
  137    HB2  ASP  23           HB2      ASP  23  66.680 -14.621   5.086
  138    HB3  ASP  23           HB1      ASP  23  64.932 -14.557   4.864
  139    H    TRP  24           HN       TRP  24  66.153 -11.756   2.201
  140    HA   TRP  24           HA       TRP  24  63.323 -11.185   2.734
  141    HB2  TRP  24           HB2      TRP  24  63.943  -8.844   2.287
  142    HB3  TRP  24           HB1      TRP  24  64.977  -9.552   3.528
  143    HD1  TRP  24           HD1      TRP  24  67.422 -10.472   2.643
  144    HE1  TRP  24           HE1      TRP  24  68.964  -9.487   0.827
  145    HE3  TRP  24           HE3      TRP  24  64.070  -7.554   0.128
  146    HZ2  TRP  24           HZ2      TRP  24  68.797  -7.697  -1.398
  147    HZ3  TRP  24           HZ3      TRP  24  64.787  -6.222  -1.835
  148    HH2  TRP  24           HH2      TRP  24  67.144  -6.290  -2.600
  149    H    LYS  25           HN       LYS  25  65.196 -12.341   0.242
  150    HA   LYS  25           HA       LYS  25  63.585 -11.055  -1.859
  151    HB2  LYS  25           HB2      LYS  25  65.277 -12.460  -3.311
  152    HB3  LYS  25           HB1      LYS  25  65.783 -10.941  -2.572
  153    HG2  LYS  25           HG2      LYS  25  67.434 -12.770  -2.203
  154    HG3  LYS  25           HG1      LYS  25  66.776 -12.148  -0.690
  155    HD2  LYS  25           HD2      LYS  25  65.358 -14.031  -0.405
  156    HD3  LYS  25           HD1      LYS  25  65.562 -14.537  -2.083
  157    HE2  LYS  25           HE2      LYS  25  68.032 -14.337  -0.433
  158    HE3  LYS  25           HE1      LYS  25  66.936 -15.670  -0.067
  159    HZ1  LYS  25           HZ1      LYS  25  68.421 -15.110  -2.537
  160    HZ2  LYS  25           HZ2      LYS  25  66.946 -15.947  -2.637
  161    HZ3  LYS  25           HZ3      LYS  25  68.222 -16.576  -1.709
  162    H    SER  26           HN       SER  26  63.157 -13.528   0.124
  163    HA   SER  26           HA       SER  26  61.682 -15.081  -1.889
  164    HB2  SER  26           HB2      SER  26  63.791 -16.281  -1.577
  165    HB3  SER  26           HB1      SER  26  63.554 -16.279   0.168
  166    HG   SER  26           HG       SER  26  61.655 -17.500  -0.173
  167    H    SER  27           HN       SER  27  62.433 -15.343   1.592
  168    HA   SER  27           HA       SER  27  59.698 -15.988   2.223
  169    HB2  SER  27           HB2      SER  27  60.455 -16.357   4.408
  170    HB3  SER  27           HB1      SER  27  61.864 -16.759   3.430
  171    HG   SER  27           HG       SER  27  62.538 -14.547   3.780
  172    H    GLY  28           HN       GLY  28  59.486 -13.656   0.941
  173    HA2  GLY  28           HA2      GLY  28  58.418 -11.900   2.983
  174    HA3  GLY  28           HA1      GLY  28  59.768 -11.218   2.081
  175    H    ALA  29           HN       ALA  29  57.629 -13.469   0.529
  176    HA   ALA  29           HA       ALA  29  56.087 -11.313  -0.729
  177    HB1  ALA  29           HB1      ALA  29  58.294 -12.598  -1.989
  178    HB2  ALA  29           HB2      ALA  29  57.171 -11.428  -2.683
  179    HB3  ALA  29           HB3      ALA  29  56.820 -13.154  -2.783
  180    H    LEU  30           HN       LEU  30  56.254 -14.328   0.665
  181    HA   LEU  30           HA       LEU  30  53.789 -15.269  -0.668
  182    HB2  LEU  30           HB2      LEU  30  55.638 -16.884   1.105
  183    HB3  LEU  30           HB1      LEU  30  54.331 -17.483   0.092
  184    HG   LEU  30           HG       LEU  30  56.390 -17.921  -1.077
  185   HD11  LEU  30          HD11      LEU  30  55.369 -15.413  -2.398
  186   HD12  LEU  30          HD12      LEU  30  54.363 -16.858  -2.297
  187   HD13  LEU  30          HD13      LEU  30  55.907 -16.917  -3.147
  188   HD21  LEU  30          HD21      LEU  30  58.197 -16.536  -1.125
  189   HD22  LEU  30          HD22      LEU  30  57.415 -15.731   0.232
  190   HD23  LEU  30          HD23      LEU  30  57.212 -15.103  -1.403
  191    H    ILE  31           HN       ILE  31  55.234 -14.344   2.373
  192    HA   ILE  31           HA       ILE  31  52.840 -15.114   3.860
  193    HB   ILE  31           HB       ILE  31  55.636 -14.485   4.532
  194   HG12  ILE  31          HG12      ILE  31  55.209 -16.178   6.231
  195   HG13  ILE  31          HG11      ILE  31  53.473 -16.075   5.937
  196   HG21  ILE  31          HG21      ILE  31  54.706 -12.580   5.691
  197   HG22  ILE  31          HG22      ILE  31  54.987 -13.839   6.890
  198   HG23  ILE  31          HG23      ILE  31  53.355 -13.543   6.299
  199   HD11  ILE  31          HD11      ILE  31  53.592 -17.322   4.030
  200   HD12  ILE  31          HD12      ILE  31  55.103 -17.897   4.733
  201   HD13  ILE  31          HD13      ILE  31  55.124 -16.601   3.538
  202    HA   PRO  32           HA       PRO  32  52.577 -10.405   4.192
  203    HB2  PRO  32           HB2      PRO  32  54.177  -8.826   2.689
  204    HB3  PRO  32           HB1      PRO  32  54.718  -9.533   4.222
  205    HG2  PRO  32           HG2      PRO  32  55.433 -10.261   1.459
  206    HG3  PRO  32           HG1      PRO  32  56.353 -10.459   2.957
  207    HD2  PRO  32           HD2      PRO  32  54.834 -12.457   1.591
  208    HD3  PRO  32           HD1      PRO  32  55.646 -12.612   3.164
  209    H    ALA  33           HN       ALA  33  52.144 -12.271   1.622
  210    HA   ALA  33           HA       ALA  33  51.094 -10.233  -0.209
  211    HB1  ALA  33           HB1      ALA  33  52.229 -12.821  -0.537
  212    HB2  ALA  33           HB2      ALA  33  51.677 -11.706  -1.788
  213    HB3  ALA  33           HB3      ALA  33  50.562 -12.892  -1.108
  214    H    ILE  34           HN       ILE  34  50.038 -11.954   2.426
  215    HA   ILE  34           HA       ILE  34  47.228 -11.676   1.567
  216    HB   ILE  34           HB       ILE  34  47.601 -13.839   3.478
  217   HG12  ILE  34          HG12      ILE  34  48.523 -15.420   1.709
  218   HG13  ILE  34          HG11      ILE  34  48.990 -13.996   0.784
  219   HG21  ILE  34          HG21      ILE  34  45.564 -13.299   2.115
  220   HG22  ILE  34          HG22      ILE  34  46.101 -14.969   1.946
  221   HG23  ILE  34          HG23      ILE  34  46.450 -13.798   0.674
  222   HD11  ILE  34          HD11      ILE  34  49.904 -13.594   3.446
  223   HD12  ILE  34          HD12      ILE  34  50.876 -13.854   2.000
  224   HD13  ILE  34          HD13      ILE  34  50.368 -15.229   2.980
  225    H    TYR  35           HN       TYR  35  49.440 -12.097   4.324
  226    HA   TYR  35           HA       TYR  35  47.702 -11.369   6.377
  227    HB2  TYR  35           HB2      TYR  35  50.589 -11.577   6.008
  228    HB3  TYR  35           HB1      TYR  35  50.144 -10.296   7.136
  229    HD1  TYR  35           HD1      TYR  35  48.408 -10.887   8.972
  230    HD2  TYR  35           HD2      TYR  35  50.581 -13.821   6.709
  231    HE1  TYR  35           HE1      TYR  35  47.933 -12.585  10.717
  232    HE2  TYR  35           HE2      TYR  35  50.106 -15.518   8.454
  233    HH   TYR  35           HH       TYR  35  49.333 -14.962  11.396
  234    H    MET  36           HN       MET  36  49.936  -9.278   4.539
  235    HA   MET  36           HA       MET  36  49.491  -6.841   5.648
  236    HB2  MET  36           HB2      MET  36  49.555  -7.430   2.679
  237    HB3  MET  36           HB1      MET  36  49.844  -5.855   3.416
  238    HG2  MET  36           HG2      MET  36  51.471  -8.343   4.015
  239    HG3  MET  36           HG1      MET  36  51.956  -7.088   2.874
  240    HE1  MET  36           HE1      MET  36  53.322  -8.291   5.644
  241    HE2  MET  36           HE2      MET  36  54.161  -6.840   6.187
  242    HE3  MET  36           HE3      MET  36  54.168  -7.265   4.477
  243    H    LEU  37           HN       LEU  37  47.449  -8.234   3.064
  244    HA   LEU  37           HA       LEU  37  45.553  -6.276   2.829
  245    HB2  LEU  37           HB2      LEU  37  44.989  -7.905   1.366
  246    HB3  LEU  37           HB1      LEU  37  45.653  -9.175   2.382
  247    HG   LEU  37           HG       LEU  37  43.602  -9.183   3.748
  248   HD11  LEU  37          HD11      LEU  37  41.889  -7.639   2.027
  249   HD12  LEU  37          HD12      LEU  37  43.212  -6.611   2.571
  250   HD13  LEU  37          HD13      LEU  37  42.182  -7.424   3.750
  251   HD21  LEU  37          HD21      LEU  37  42.036  -9.973   1.972
  252   HD22  LEU  37          HD22      LEU  37  43.661 -10.638   1.804
  253   HD23  LEU  37          HD23      LEU  37  43.135  -9.319   0.758
  254    H    VAL  38           HN       VAL  38  45.843  -8.703   5.367
  255    HA   VAL  38           HA       VAL  38  43.426  -7.812   6.710
  256    HB   VAL  38           HB       VAL  38  45.476  -9.543   8.035
  257   HG11  VAL  38          HG11      VAL  38  42.503  -9.973   7.845
  258   HG12  VAL  38          HG12      VAL  38  43.152  -8.749   8.937
  259   HG13  VAL  38          HG13      VAL  38  43.610 -10.441   9.136
  260   HG21  VAL  38          HG21      VAL  38  43.650 -10.376   5.760
  261   HG22  VAL  38          HG22      VAL  38  44.490 -11.503   6.824
  262   HG23  VAL  38          HG23      VAL  38  45.412 -10.434   5.768
  263    H    PHE  39           HN       PHE  39  46.920  -7.471   7.064
  264    HA   PHE  39           HA       PHE  39  46.784  -6.079   9.569
  265    HB2  PHE  39           HB2      PHE  39  48.811  -7.189   7.935
  266    HB3  PHE  39           HB1      PHE  39  49.183  -5.474   8.109
  267    HD1  PHE  39           HD1      PHE  39  48.082  -8.428  10.141
  268    HD2  PHE  39           HD2      PHE  39  50.270  -4.733  10.046
  269    HE1  PHE  39           HE1      PHE  39  48.874  -8.838  12.455
  270    HE2  PHE  39           HE2      PHE  39  51.062  -5.143  12.360
  271    HZ   PHE  39           HZ       PHE  39  50.364  -7.195  13.564
  272    H    LEU  40           HN       LEU  40  45.290  -5.098   7.067
  273    HA   LEU  40           HA       LEU  40  46.194  -2.289   7.270
  274    HB2  LEU  40           HB2      LEU  40  45.462  -3.883   4.827
  275    HB3  LEU  40           HB1      LEU  40  45.275  -2.131   4.845
  276    HG   LEU  40           HG       LEU  40  47.865  -3.308   5.786
  277   HD11  LEU  40          HD11      LEU  40  46.805  -3.314   2.991
  278   HD12  LEU  40          HD12      LEU  40  47.917  -4.439   3.772
  279   HD13  LEU  40          HD13      LEU  40  48.494  -2.864   3.227
  280   HD21  LEU  40          HD21      LEU  40  46.996  -0.777   5.677
  281   HD22  LEU  40          HD22      LEU  40  47.573  -0.914   4.017
  282   HD23  LEU  40          HD23      LEU  40  48.682  -1.186   5.361
  283    H    LEU  41           HN       LEU  41  44.170  -3.633   8.823
  284    HA   LEU  41           HA       LEU  41  42.070  -1.750   8.594
  285    HB2  LEU  41           HB2      LEU  41  40.234  -3.306   7.975
  286    HB3  LEU  41           HB1      LEU  41  41.373  -3.036   6.659
  287    HG   LEU  41           HG       LEU  41  42.491  -5.199   7.944
  288   HD11  LEU  41          HD11      LEU  41  40.794  -6.739   8.556
  289   HD12  LEU  41          HD12      LEU  41  39.525  -5.750   7.835
  290   HD13  LEU  41          HD13      LEU  41  40.315  -5.226   9.322
  291   HD21  LEU  41          HD21      LEU  41  40.449  -5.191   5.700
  292   HD22  LEU  41          HD22      LEU  41  41.586  -6.496   6.037
  293   HD23  LEU  41          HD23      LEU  41  42.181  -4.919   5.517
  294    H    GLY  42           HN       GLY  42  42.938  -5.022   9.666
  295    HA2  GLY  42           HA2      GLY  42  41.253  -4.826  12.024
  296    HA3  GLY  42           HA1      GLY  42  42.314  -6.168  11.601
  297    H    THR  43           HN       THR  43  43.783  -3.120  11.350
  298    HA   THR  43           HA       THR  43  44.701  -2.950  14.093
  299    HB   THR  43           HB       THR  43  46.356  -4.479  13.668
  300    HG1  THR  43           HG1      THR  43  48.010  -2.973  12.314
  301   HG21  THR  43          HG21      THR  43  45.803  -5.291  11.550
  302   HG22  THR  43          HG22      THR  43  47.382  -4.561  11.256
  303   HG23  THR  43          HG23      THR  43  45.912  -3.698  10.802
  304    H    THR  44           HN       THR  44  46.530  -2.047  11.227
  305    HA   THR  44           HA       THR  44  47.339   0.037  10.619
  306    HB   THR  44           HB       THR  44  45.732   1.088   9.412
  307    HG1  THR  44           HG1      THR  44  43.943   0.903  11.598
  308   HG21  THR  44          HG21      THR  44  45.180  -1.423   9.431
  309   HG22  THR  44          HG22      THR  44  43.912  -0.332   8.874
  310   HG23  THR  44          HG23      THR  44  43.846  -1.000  10.505
  311    H    GLY  45           HN       GLY  45  46.977  -0.484  13.583
  312    HA2  GLY  45           HA2      GLY  45  48.101   1.408  14.921
  313    HA3  GLY  45           HA1      GLY  45  46.626   2.287  14.533
  314    H    ASN  46           HN       ASN  46  44.562   0.935  15.051
  315    HA   ASN  46           HA       ASN  46  44.236   0.703  17.764
  316    HB2  ASN  46           HB2      ASN  46  42.826  -0.815  15.561
  317    HB3  ASN  46           HB1      ASN  46  42.285  -0.790  17.239
  318   HD21  ASN  46          HD21      ASN  46  42.709   1.227  14.341
  319   HD22  ASN  46          HD22      ASN  46  41.737   2.507  14.889
  320    H    GLY  47           HN       GLY  47  45.746  -1.553  15.608
  321    HA2  GLY  47           HA2      GLY  47  45.655  -3.749  17.524
  322    HA3  GLY  47           HA1      GLY  47  46.396  -3.783  15.927
  323    H    LEU  48           HN       LEU  48  47.837  -1.233  16.479
  324    HA   LEU  48           HA       LEU  48  50.041  -2.419  18.028
  325    HB2  LEU  48           HB2      LEU  48  50.554   0.122  16.655
  326    HB3  LEU  48           HB1      LEU  48  51.465  -1.386  16.612
  327    HG   LEU  48           HG       LEU  48  48.924  -0.786  15.064
  328   HD11  LEU  48          HD11      LEU  48  51.516  -1.547  13.797
  329   HD12  LEU  48          HD12      LEU  48  51.377   0.090  14.438
  330   HD13  LEU  48          HD13      LEU  48  50.248  -0.474  13.206
  331   HD21  LEU  48          HD21      LEU  48  50.135  -3.108  14.080
  332   HD22  LEU  48          HD22      LEU  48  48.665  -3.036  15.052
  333   HD23  LEU  48          HD23      LEU  48  50.226  -3.285  15.833
  334    H    VAL  49           HN       VAL  49  47.494  -0.821  18.898
  335    HA   VAL  49           HA       VAL  49  48.851   1.307  20.417
  336    HB   VAL  49           HB       VAL  49  45.907   0.774  19.953
  337   HG11  VAL  49          HG11      VAL  49  47.388   2.531  21.804
  338   HG12  VAL  49          HG12      VAL  49  45.712   1.989  21.867
  339   HG13  VAL  49          HG13      VAL  49  46.159   3.356  20.847
  340   HG21  VAL  49          HG21      VAL  49  46.110   2.072  18.117
  341   HG22  VAL  49          HG22      VAL  49  47.859   1.945  18.300
  342   HG23  VAL  49          HG23      VAL  49  46.992   3.302  19.020
  343    H    LEU  50           HN       LEU  50  46.253  -1.079  21.003
  344    HA   LEU  50           HA       LEU  50  46.636  -1.037  23.836
  345    HB2  LEU  50           HB2      LEU  50  45.064  -2.938  23.846
  346    HB3  LEU  50           HB1      LEU  50  44.468  -1.613  22.845
  347    HG   LEU  50           HG       LEU  50  45.972  -3.087  21.056
  348   HD11  LEU  50          HD11      LEU  50  44.460  -4.990  22.873
  349   HD12  LEU  50          HD12      LEU  50  46.215  -4.896  22.725
  350   HD13  LEU  50          HD13      LEU  50  45.240  -5.422  21.352
  351   HD21  LEU  50          HD21      LEU  50  43.013  -3.327  21.696
  352   HD22  LEU  50          HD22      LEU  50  43.766  -3.791  20.172
  353   HD23  LEU  50          HD23      LEU  50  43.746  -2.099  20.665
  354    H    TRP  51           HN       TRP  51  48.574  -2.228  21.479
  355    HA   TRP  51           HA       TRP  51  49.289  -4.762  22.681
  356    HB2  TRP  51           HB2      TRP  51  49.656  -3.574  20.178
  357    HB3  TRP  51           HB1      TRP  51  51.274  -3.660  20.873
  358    HD1  TRP  51           HD1      TRP  51  48.216  -6.044  20.755
  359    HE1  TRP  51           HE1      TRP  51  49.077  -8.415  20.218
  360    HE3  TRP  51           HE3      TRP  51  53.224  -5.107  20.414
  361    HZ2  TRP  51           HZ2      TRP  51  51.561  -9.738  19.712
  362    HZ3  TRP  51           HZ3      TRP  51  54.814  -6.939  19.904
  363    HH2  TRP  51           HH2      TRP  51  53.990  -9.251  19.553
  364    H    THR  52           HN       THR  52  49.772  -1.666  23.625
  365    HA   THR  52           HA       THR  52  52.444  -2.226  24.769
  366    HB   THR  52           HB       THR  52  52.146  -0.213  23.213
  367    HG1  THR  52           HG1      THR  52  52.997   0.182  25.888
  368   HG21  THR  52          HG21      THR  52  49.908   0.284  24.593
  369   HG22  THR  52          HG22      THR  52  50.850   1.578  23.852
  370   HG23  THR  52          HG23      THR  52  51.030   1.230  25.571
  371    H    VAL  53           HN       VAL  53  49.776  -3.059  25.789
  372    HA   VAL  53           HA       VAL  53  50.012  -1.824  28.458
  373    HB   VAL  53           HB       VAL  53  47.413  -2.412  27.021
  374   HG11  VAL  53          HG11      VAL  53  47.135  -2.828  29.370
  375   HG12  VAL  53          HG12      VAL  53  46.476  -1.222  29.062
  376   HG13  VAL  53          HG13      VAL  53  48.070  -1.394  29.796
  377   HG21  VAL  53          HG21      VAL  53  48.223  -0.397  26.097
  378   HG22  VAL  53          HG22      VAL  53  48.958   0.110  27.618
  379   HG23  VAL  53          HG23      VAL  53  47.204   0.151  27.428
  380    H    PHE  54           HN       PHE  54  48.755  -4.519  26.521
  381    HA   PHE  54           HA       PHE  54  48.825  -6.236  28.918
  382    HB2  PHE  54           HB2      PHE  54  47.327  -6.335  26.327
  383    HB3  PHE  54           HB1      PHE  54  47.638  -7.835  27.202
  384    HD1  PHE  54           HD1      PHE  54  45.922  -4.575  27.295
  385    HD2  PHE  54           HD2      PHE  54  46.651  -8.251  29.394
  386    HE1  PHE  54           HE1      PHE  54  44.064  -4.054  28.852
  387    HE2  PHE  54           HE2      PHE  54  44.794  -7.730  30.952
  388    HZ   PHE  54           HZ       PHE  54  43.500  -5.632  30.681
  389    H    ARG  55           HN       ARG  55  50.922  -5.313  26.674
  390    HA   ARG  55           HA       ARG  55  51.968  -8.003  26.077
  391    HB2  ARG  55           HB2      ARG  55  51.636  -6.257  24.243
  392    HB3  ARG  55           HB1      ARG  55  52.988  -5.389  24.969
  393    HG2  ARG  55           HG2      ARG  55  54.168  -6.696  23.483
  394    HG3  ARG  55           HG1      ARG  55  54.108  -7.818  24.842
  395    HD2  ARG  55           HD2      ARG  55  52.069  -8.847  23.884
  396    HD3  ARG  55           HD1      ARG  55  52.172  -7.750  22.511
  397    HE   ARG  55           HE       ARG  55  54.603  -8.949  22.491
  398   HH11  ARG  55          HH21      ARG  55  51.353 -10.113  22.721
  399   HH12  ARG  55          HH22      ARG  55  51.688 -11.614  21.926
  400   HH21  ARG  55          HH11      ARG  55  55.051 -10.915  21.447
  401   HH22  ARG  55          HH12      ARG  55  53.782 -12.069  21.204
  402    H    LYS  56           HN       LYS  56  53.351  -4.808  26.887
  403    HA   LYS  56           HA       LYS  56  55.834  -5.593  27.745
  404    HB2  LYS  56           HB2      LYS  56  54.061  -3.425  28.889
  405    HB3  LYS  56           HB1      LYS  56  55.781  -3.592  29.247
  406    HG2  LYS  56           HG2      LYS  56  56.343  -2.605  27.304
  407    HG3  LYS  56           HG1      LYS  56  55.327  -3.720  26.390
  408    HD2  LYS  56           HD2      LYS  56  54.560  -1.409  26.060
  409    HD3  LYS  56           HD1      LYS  56  53.343  -2.337  26.936
  410    HE2  LYS  56           HE2      LYS  56  53.466  -0.932  28.688
  411    HE3  LYS  56           HE1      LYS  56  55.208  -1.183  28.807
  412    HZ1  LYS  56           HZ1      LYS  56  55.482   0.861  28.042
  413    HZ2  LYS  56           HZ2      LYS  56  53.809   1.055  27.817
  414    HZ3  LYS  56           HZ3      LYS  56  54.767   0.403  26.574
  415    H    LYS  57           HN       LYS  57  52.783  -5.821  29.477
  416    HA   LYS  57           HA       LYS  57  53.810  -6.426  32.036
  417    HB2  LYS  57           HB2      LYS  57  51.223  -7.444  30.846
  418    HB3  LYS  57           HB1      LYS  57  51.594  -7.234  32.555
  419    HG2  LYS  57           HG2      LYS  57  51.532  -4.970  30.532
  420    HG3  LYS  57           HG1      LYS  57  50.188  -5.382  31.594
  421    HD2  LYS  57           HD2      LYS  57  51.119  -3.953  33.077
  422    HD3  LYS  57           HD1      LYS  57  52.333  -5.200  33.351
  423    HE2  LYS  57           HE2      LYS  57  53.590  -4.197  31.350
  424    HE3  LYS  57           HE1      LYS  57  52.491  -2.825  31.487
  425    HZ1  LYS  57           HZ1      LYS  57  53.850  -3.768  33.904
  426    HZ2  LYS  57           HZ2      LYS  57  53.363  -2.198  33.477
  427    HZ3  LYS  57           HZ3      LYS  57  54.752  -2.880  32.775
  428    H    GLY  58           HN       GLY  58  53.320  -8.362  29.166
  429    HA2  GLY  58           HA2      GLY  58  55.047 -10.426  30.055
  430    HA3  GLY  58           HA1      GLY  58  53.372 -10.938  30.240
  431    H    HIS  59           HN       HIS  59  55.936 -10.276  28.015
  432    HA   HIS  59           HA       HIS  59  54.555 -10.175  25.582
  433    HB2  HIS  59           HB2      HIS  59  57.274 -10.485  26.451
  434    HB3  HIS  59           HB1      HIS  59  56.943 -11.633  25.154
  435    HD2  HIS  59           HD2      HIS  59  56.999  -7.727  25.697
  436    HE1  HIS  59           HE1      HIS  59  56.603  -8.493  21.564
  437    HE2  HIS  59           HE2      HIS  59  56.955  -6.678  23.305
  438    H    HIS  60           HN       HIS  60  54.559 -12.632  27.828
  439    HA   HIS  60           HA       HIS  60  53.504 -14.523  25.848
  440    HB2  HIS  60           HB2      HIS  60  55.871 -14.969  27.624
  441    HB3  HIS  60           HB1      HIS  60  54.796 -16.323  27.273
  442    HD2  HIS  60           HD2      HIS  60  57.359 -14.021  25.387
  443    HE1  HIS  60           HE1      HIS  60  56.061 -17.010  22.703
  444    HE2  HIS  60           HE2      HIS  60  57.707 -15.105  23.036
  445    H    HIS  61           HN       HIS  61  54.239 -14.165  29.325
  446    HA   HIS  61           HA       HIS  61  51.422 -14.669  29.942
  447    HB2  HIS  61           HB2      HIS  61  53.712 -16.371  30.940
  448    HB3  HIS  61           HB1      HIS  61  52.128 -16.330  31.716
  449    HD2  HIS  61           HD2      HIS  61  50.001 -16.800  29.503
  450    HE1  HIS  61           HE1      HIS  61  52.551 -19.640  27.700
  451    HE2  HIS  61           HE2      HIS  61  50.167 -18.772  27.799
  452    H    HIS  62           HN       HIS  62  50.884 -12.972  31.151
  453    HA   HIS  62           HA       HIS  62  52.661 -11.282  32.504
  454    HB2  HIS  62           HB2      HIS  62  49.752 -11.732  33.201
  455    HB3  HIS  62           HB1      HIS  62  50.710 -10.284  33.510
  456    HD2  HIS  62           HD2      HIS  62  48.401  -9.359  31.673
  457    HE1  HIS  62           HE1      HIS  62  50.731 -10.311  28.284
  458    HE2  HIS  62           HE2      HIS  62  48.689  -9.040  29.097
  459    H    HIS  63           HN       HIS  63  54.039 -12.854  33.604
  460    HA   HIS  63           HA       HIS  63  54.690 -14.161  35.397
  461    HB2  HIS  63           HB2      HIS  63  54.414 -11.779  36.288
  462    HB3  HIS  63           HB1      HIS  63  52.891 -12.333  36.984
  463    HD2  HIS  63           HD2      HIS  63  56.754 -12.936  37.475
  464    HE1  HIS  63           HE1      HIS  63  54.701 -14.831  40.639
  465    HE2  HIS  63           HE2      HIS  63  56.993 -14.200  39.748
  466    H    HIS  64           HN       HIS  64  53.753 -16.156  35.023
  467    HA   HIS  64           HA       HIS  64  51.013 -16.648  35.894
  468    HB2  HIS  64           HB2      HIS  64  52.508 -17.694  33.863
  469    HB3  HIS  64           HB1      HIS  64  52.677 -18.943  35.096
  470    HD2  HIS  64           HD2      HIS  64  49.510 -18.472  36.293
  471    HE1  HIS  64           HE1      HIS  64  48.448 -19.780  32.421
  472    HE2  HIS  64           HE2      HIS  64  47.599 -19.421  34.787
  Start of MODEL   38
    1    H1   MET   1           HT1      MET   1  55.867  -1.343 -34.909
    2    H2   MET   1           HT2      MET   1  57.310  -0.624 -35.446
    3    H3   MET   1           HT3      MET   1  56.954  -0.685 -33.785
    4    HA   MET   1           HA       MET   1  56.839  -3.278 -34.385
    5    HB2  MET   1           HB2      MET   1  58.790  -3.753 -35.837
    6    HB3  MET   1           HB1      MET   1  57.538  -2.865 -36.707
    7    HG2  MET   1           HG2      MET   1  59.155  -0.896 -35.512
    8    HG3  MET   1           HG1      MET   1  60.276  -2.090 -36.168
    9    HE1  MET   1           HE1      MET   1  60.968   0.113 -37.293
   10    HE2  MET   1           HE2      MET   1  60.589   0.315 -39.001
   11    HE3  MET   1           HE3      MET   1  61.300  -1.195 -38.438
   12    H    GLU   2           HN       GLU   2  58.401  -0.466 -33.336
   13    HA   GLU   2           HA       GLU   2  59.975  -0.024 -31.718
   14    HB2  GLU   2           HB2      GLU   2  58.782  -2.637 -30.822
   15    HB3  GLU   2           HB1      GLU   2  60.071  -1.865 -29.898
   16    HG2  GLU   2           HG2      GLU   2  58.753  -0.072 -29.285
   17    HG3  GLU   2           HG1      GLU   2  57.764  -0.168 -30.741
   18    H    GLU   3           HN       GLU   3  61.887   0.018 -32.846
   19    HA   GLU   3           HA       GLU   3  63.265  -2.282 -33.777
   20    HB2  GLU   3           HB2      GLU   3  64.075   0.578 -33.285
   21    HB3  GLU   3           HB1      GLU   3  65.246  -0.631 -33.814
   22    HG2  GLU   3           HG2      GLU   3  64.043  -1.057 -35.830
   23    HG3  GLU   3           HG1      GLU   3  62.628  -0.176 -35.256
   24    H    GLY   4           HN       GLY   4  64.143  -0.078 -31.104
   25    HA2  GLY   4           HA2      GLY   4  65.342  -0.438 -29.171
   26    HA3  GLY   4           HA1      GLY   4  64.545  -2.008 -29.136
   27    H    GLY   5           HN       GLY   5  66.522  -1.160 -31.858
   28    HA2  GLY   5           HA2      GLY   5  68.364  -2.251 -32.737
   29    HA3  GLY   5           HA1      GLY   5  69.072  -1.849 -31.175
   30    H    ASP   6           HN       ASP   6  69.855  -3.522 -30.074
   31    HA   ASP   6           HA       ASP   6  68.427  -5.966 -29.715
   32    HB2  ASP   6           HB2      ASP   6  69.838  -5.872 -32.094
   33    HB3  ASP   6           HB1      ASP   6  70.948  -6.692 -30.998
   34    H    PHE   7           HN       PHE   7  71.627  -4.426 -29.715
   35    HA   PHE   7           HA       PHE   7  73.325  -4.429 -28.166
   36    HB2  PHE   7           HB2      PHE   7  71.435  -5.123 -25.972
   37    HB3  PHE   7           HB1      PHE   7  72.672  -3.867 -26.039
   38    HD1  PHE   7           HD1      PHE   7  72.023  -2.470 -28.543
   39    HD2  PHE   7           HD2      PHE   7  69.420  -4.003 -25.488
   40    HE1  PHE   7           HE1      PHE   7  70.298  -0.804 -29.177
   41    HE2  PHE   7           HE2      PHE   7  67.695  -2.338 -26.123
   42    HZ   PHE   7           HZ       PHE   7  68.134  -0.738 -27.967
   43    H    ASP   8           HN       ASP   8  72.999  -6.840 -29.506
   44    HA   ASP   8           HA       ASP   8  73.540  -8.852 -27.405
   45    HB2  ASP   8           HB2      ASP   8  72.761 -10.546 -28.909
   46    HB3  ASP   8           HB1      ASP   8  71.547  -9.267 -28.895
   47    H    ASN   9           HN       ASN   9  75.518  -7.031 -28.278
   48    HA   ASN   9           HA       ASN   9  77.419  -8.926 -29.481
   49    HB2  ASN   9           HB2      ASN   9  76.538  -7.364 -31.249
   50    HB3  ASN   9           HB1      ASN   9  77.241  -6.032 -30.332
   51   HD21  ASN   9          HD21      ASN   9  79.186  -8.750 -29.878
   52   HD22  ASN   9          HD22      ASN   9  80.341  -8.438 -31.082
   53    H    TYR  10           HN       TYR  10  77.635  -8.827 -26.957
   54    HA   TYR  10           HA       TYR  10  78.785  -8.105 -25.086
   55    HB2  TYR  10           HB2      TYR  10  80.517  -8.912 -26.963
   56    HB3  TYR  10           HB1      TYR  10  81.044  -7.236 -26.815
   57    HD1  TYR  10           HD2      TYR  10  80.444 -10.379 -24.921
   58    HD2  TYR  10           HD1      TYR  10  82.210  -6.463 -24.879
   59    HE1  TYR  10           HE2      TYR  10  81.625 -10.934 -22.811
   60    HE2  TYR  10           HE1      TYR  10  83.391  -7.018 -22.769
   61    HH   TYR  10           HH       TYR  10  83.774 -10.104 -21.637
   62    H    TYR  11           HN       TYR  11  77.059  -6.115 -26.117
   63    HA   TYR  11           HA       TYR  11  78.451  -3.732 -25.130
   64    HB2  TYR  11           HB2      TYR  11  77.596  -4.151 -27.903
   65    HB3  TYR  11           HB1      TYR  11  76.954  -2.674 -27.185
   66    HD1  TYR  11           HD2      TYR  11  78.620  -1.143 -25.926
   67    HD2  TYR  11           HD1      TYR  11  79.822  -4.231 -28.659
   68    HE1  TYR  11           HE2      TYR  11  80.834  -0.054 -26.183
   69    HE2  TYR  11           HE1      TYR  11  82.035  -3.141 -28.917
   70    HH   TYR  11           HH       TYR  11  82.834  -0.160 -27.125
   71    H    GLY  12           HN       GLY  12  77.233  -3.227 -23.420
   72    HA2  GLY  12           HA2      GLY  12  75.017  -1.951 -23.106
   73    HA3  GLY  12           HA1      GLY  12  74.300  -3.474 -23.622
   74    H    ALA  13           HN       ALA  13  75.848  -5.330 -22.336
   75    HA   ALA  13           HA       ALA  13  76.317  -4.769 -19.587
   76    HB1  ALA  13           HB1      ALA  13  74.265  -6.501 -19.083
   77    HB2  ALA  13           HB2      ALA  13  73.584  -5.526 -20.384
   78    HB3  ALA  13           HB3      ALA  13  74.156  -4.750 -18.908
   79    H    ASP  14           HN       ASP  14  75.057  -7.373 -21.684
   80    HA   ASP  14           HA       ASP  14  75.796  -9.514 -22.058
   81    HB2  ASP  14           HB2      ASP  14  77.903  -8.092 -22.575
   82    HB3  ASP  14           HB1      ASP  14  78.497  -8.687 -21.027
   83    H    ASN  15           HN       ASN  15  74.436  -9.308 -19.758
   84    HA   ASN  15           HA       ASN  15  74.041 -10.391 -17.772
   85    HB2  ASN  15           HB2      ASN  15  75.620 -12.144 -19.312
   86    HB3  ASN  15           HB1      ASN  15  76.320 -12.159 -17.695
   87   HD21  ASN  15          HD21      ASN  15  73.884 -11.689 -16.202
   88   HD22  ASN  15          HD22      ASN  15  72.901 -13.061 -16.378
   89    H    GLN  16           HN       GLN  16  74.418  -9.639 -15.791
   90    HA   GLN  16           HA       GLN  16  77.156  -8.729 -15.121
   91    HB2  GLN  16           HB2      GLN  16  74.524  -7.649 -14.085
   92    HB3  GLN  16           HB1      GLN  16  76.132  -7.035 -13.698
   93    HG2  GLN  16           HG2      GLN  16  76.107  -5.754 -15.542
   94    HG3  GLN  16           HG1      GLN  16  75.884  -7.184 -16.546
   95   HE21  GLN  16          HE21      GLN  16  73.516  -7.979 -16.690
   96   HE22  GLN  16          HE22      GLN  16  72.302  -6.794 -16.699
   97    H    SER  17           HN       SER  17  74.149 -10.076 -13.789
   98    HA   SER  17           HA       SER  17  75.765 -11.418 -11.708
   99    HB2  SER  17           HB2      SER  17  73.482  -9.597 -11.403
  100    HB3  SER  17           HB1      SER  17  73.310 -11.114 -10.525
  101    HG   SER  17           HG       SER  17  74.767  -9.018  -9.874
  102    H    GLU  18           HN       GLU  18  73.233 -11.561 -14.057
  103    HA   GLU  18           HA       GLU  18  71.850 -13.256 -14.769
  104    HB2  GLU  18           HB2      GLU  18  74.343 -14.090 -15.029
  105    HB3  GLU  18           HB1      GLU  18  73.855 -15.243 -13.786
  106    HG2  GLU  18           HG2      GLU  18  71.800 -15.706 -15.264
  107    HG3  GLU  18           HG1      GLU  18  72.670 -14.852 -16.537
  108    H    CYS  19           HN       CYS  19  71.001 -12.382 -12.363
  109    HA   CYS  19           HA       CYS  19  70.061 -14.866 -11.099
  110    HB2  CYS  19           HB2      CYS  19  71.386 -14.456  -9.320
  111    HB3  CYS  19           HB1      CYS  19  71.749 -12.817  -9.861
  112    HG   CYS  19           HG       CYS  19  69.170 -12.317  -8.925
  113    H    GLU  20           HN       GLU  20  69.694 -11.398 -11.613
  114    HA   GLU  20           HA       GLU  20  67.067 -11.258 -10.454
  115    HB2  GLU  20           HB2      GLU  20  67.041  -9.011 -11.670
  116    HB3  GLU  20           HB1      GLU  20  68.300  -9.232 -10.454
  117    HG2  GLU  20           HG2      GLU  20  69.063 -10.152 -13.144
  118    HG3  GLU  20           HG1      GLU  20  68.754  -8.420 -13.040
  119    H    TYR  21           HN       TYR  21  66.892 -13.373 -12.072
  120    HA   TYR  21           HA       TYR  21  65.046 -12.441 -14.148
  121    HB2  TYR  21           HB2      TYR  21  67.633 -13.317 -14.783
  122    HB3  TYR  21           HB1      TYR  21  66.579 -14.685 -15.141
  123    HD1  TYR  21           HD2      TYR  21  64.808 -14.516 -16.818
  124    HD2  TYR  21           HD1      TYR  21  67.377 -11.185 -15.953
  125    HE1  TYR  21           HE2      TYR  21  64.027 -13.379 -18.879
  126    HE2  TYR  21           HE1      TYR  21  66.597 -10.047 -18.014
  127    HH   TYR  21           HH       TYR  21  63.867 -11.017 -19.725
  128    H    THR  22           HN       THR  22  65.072 -13.912 -11.472
  129    HA   THR  22           HA       THR  22  62.979 -15.752 -12.085
  130    HB   THR  22           HB       THR  22  65.361 -17.135 -10.908
  131    HG1  THR  22           HG1      THR  22  65.339 -17.818 -13.369
  132   HG21  THR  22          HG21      THR  22  63.390 -18.351 -12.787
  133   HG22  THR  22          HG22      THR  22  62.825 -17.924 -11.173
  134   HG23  THR  22          HG23      THR  22  64.168 -19.051 -11.367
  135    H    ASP  23           HN       ASP  23  65.365 -14.532  -9.825
  136    HA   ASP  23           HA       ASP  23  63.627 -15.246  -7.565
  137    HB2  ASP  23           HB2      ASP  23  66.152 -15.719  -7.612
  138    HB3  ASP  23           HB1      ASP  23  66.351 -13.983  -7.372
  139    H    TRP  24           HN       TRP  24  63.591 -12.872  -9.677
  140    HA   TRP  24           HA       TRP  24  63.471 -10.654  -7.754
  141    HB2  TRP  24           HB2      TRP  24  63.479  -9.180  -9.633
  142    HB3  TRP  24           HB1      TRP  24  64.695 -10.414  -9.958
  143    HD1  TRP  24           HD1      TRP  24  64.297 -12.052 -11.942
  144    HE1  TRP  24           HE1      TRP  24  62.551 -12.153 -13.834
  145    HE3  TRP  24           HE3      TRP  24  60.906  -8.660 -10.192
  146    HZ2  TRP  24           HZ2      TRP  24  60.045 -10.951 -14.517
  147    HZ3  TRP  24           HZ3      TRP  24  58.850  -8.158 -11.482
  148    HH2  TRP  24           HH2      TRP  24  58.416  -9.299 -13.641
  149    H    LYS  25           HN       LYS  25  61.456 -12.871  -9.395
  150    HA   LYS  25           HA       LYS  25  59.084 -11.255  -8.681
  151    HB2  LYS  25           HB2      LYS  25  57.876 -12.154 -10.546
  152    HB3  LYS  25           HB1      LYS  25  59.389 -11.510 -11.161
  153    HG2  LYS  25           HG2      LYS  25  59.046 -14.457 -10.487
  154    HG3  LYS  25           HG1      LYS  25  58.658 -13.797 -12.063
  155    HD2  LYS  25           HD2      LYS  25  61.255 -12.844 -11.325
  156    HD3  LYS  25           HD1      LYS  25  61.203 -14.588 -11.081
  157    HE2  LYS  25           HE2      LYS  25  60.373 -14.918 -13.356
  158    HE3  LYS  25           HE1      LYS  25  60.309 -13.175 -13.611
  159    HZ1  LYS  25           HZ1      LYS  25  62.369 -13.394 -14.376
  160    HZ2  LYS  25           HZ2      LYS  25  62.547 -14.959 -13.741
  161    HZ3  LYS  25           HZ3      LYS  25  62.849 -13.603 -12.763
  162    H    SER  26           HN       SER  26  60.654 -14.363  -8.682
  163    HA   SER  26           HA       SER  26  58.753 -16.162  -7.998
  164    HB2  SER  26           HB2      SER  26  61.037 -16.863  -8.069
  165    HB3  SER  26           HB1      SER  26  61.482 -15.768  -6.764
  166    HG   SER  26           HG       SER  26  59.437 -17.564  -6.230
  167    H    SER  27           HN       SER  27  60.464 -14.216  -5.536
  168    HA   SER  27           HA       SER  27  58.355 -14.769  -3.604
  169    HB2  SER  27           HB2      SER  27  60.557 -14.843  -2.701
  170    HB3  SER  27           HB1      SER  27  60.995 -13.310  -3.453
  171    HG   SER  27           HG       SER  27  58.839 -12.874  -2.007
  172    H    GLY  28           HN       GLY  28  57.454 -13.299  -5.821
  173    HA2  GLY  28           HA2      GLY  28  56.592 -10.842  -4.468
  174    HA3  GLY  28           HA1      GLY  28  57.339 -10.683  -6.054
  175    H    ALA  29           HN       ALA  29  55.446 -13.500  -5.339
  176    HA   ALA  29           HA       ALA  29  53.123 -12.386  -6.770
  177    HB1  ALA  29           HB1      ALA  29  54.843 -14.680  -7.585
  178    HB2  ALA  29           HB2      ALA  29  53.990 -13.501  -8.582
  179    HB3  ALA  29           HB3      ALA  29  53.103 -14.829  -7.832
  180    H    LEU  30           HN       LEU  30  54.060 -13.503  -3.974
  181    HA   LEU  30           HA       LEU  30  51.482 -14.713  -3.378
  182    HB2  LEU  30           HB2      LEU  30  52.687 -16.617  -2.146
  183    HB3  LEU  30           HB1      LEU  30  52.586 -16.734  -3.903
  184    HG   LEU  30           HG       LEU  30  54.937 -15.240  -2.984
  185   HD11  LEU  30          HD11      LEU  30  54.824 -16.839  -1.129
  186   HD12  LEU  30          HD12      LEU  30  56.150 -17.269  -2.210
  187   HD13  LEU  30          HD13      LEU  30  54.637 -18.173  -2.268
  188   HD21  LEU  30          HD21      LEU  30  56.030 -16.725  -4.625
  189   HD22  LEU  30          HD22      LEU  30  54.562 -16.022  -5.304
  190   HD23  LEU  30          HD23      LEU  30  54.559 -17.691  -4.736
  191    H    ILE  31           HN       ILE  31  54.397 -13.130  -2.482
  192    HA   ILE  31           HA       ILE  31  53.864 -13.201   0.364
  193    HB   ILE  31           HB       ILE  31  56.076 -12.418  -1.362
  194   HG12  ILE  31          HG12      ILE  31  57.347 -13.028   0.650
  195   HG13  ILE  31          HG11      ILE  31  55.857 -13.046   1.595
  196   HG21  ILE  31          HG21      ILE  31  56.962 -10.676   0.201
  197   HG22  ILE  31          HG22      ILE  31  55.386 -10.612   0.983
  198   HG23  ILE  31          HG23      ILE  31  55.557 -10.125  -0.708
  199   HD11  ILE  31          HD11      ILE  31  55.717 -14.679  -0.845
  200   HD12  ILE  31          HD12      ILE  31  55.248 -15.082   0.808
  201   HD13  ILE  31          HD13      ILE  31  56.932 -15.233   0.307
  202    HA   PRO  32           HA       PRO  32  52.504  -8.743  -0.474
  203    HB2  PRO  32           HB2      PRO  32  52.255  -7.841  -3.018
  204    HB3  PRO  32           HB1      PRO  32  53.808  -7.857  -2.162
  205    HG2  PRO  32           HG2      PRO  32  52.836  -9.598  -4.328
  206    HG3  PRO  32           HG1      PRO  32  54.491  -9.160  -3.880
  207    HD2  PRO  32           HD2      PRO  32  53.115 -11.581  -3.244
  208    HD3  PRO  32           HD1      PRO  32  54.724 -11.081  -2.685
  209    H    ALA  33           HN       ALA  33  51.024 -11.374  -0.977
  210    HA   ALA  33           HA       ALA  33  48.459 -10.166  -1.813
  211    HB1  ALA  33           HB1      ALA  33  47.839 -12.242  -2.906
  212    HB2  ALA  33           HB2      ALA  33  49.355 -12.994  -2.411
  213    HB3  ALA  33           HB3      ALA  33  49.367 -11.673  -3.579
  214    H    ILE  34           HN       ILE  34  50.113 -11.280   0.719
  215    HA   ILE  34           HA       ILE  34  47.673 -12.150   2.095
  216    HB   ILE  34           HB       ILE  34  49.696 -13.783   3.148
  217   HG12  ILE  34          HG12      ILE  34  49.613 -13.950   0.119
  218   HG13  ILE  34          HG11      ILE  34  50.968 -13.304   1.046
  219   HG21  ILE  34          HG21      ILE  34  47.285 -14.301   2.943
  220   HG22  ILE  34          HG22      ILE  34  48.274 -15.589   2.255
  221   HG23  ILE  34          HG23      ILE  34  47.467 -14.435   1.194
  222   HD11  ILE  34          HD11      ILE  34  50.432 -16.026   0.406
  223   HD12  ILE  34          HD12      ILE  34  50.239 -15.846   2.150
  224   HD13  ILE  34          HD13      ILE  34  51.756 -15.382   1.378
  225    H    TYR  35           HN       TYR  35  51.095 -11.256   2.320
  226    HA   TYR  35           HA       TYR  35  50.964 -10.631   5.125
  227    HB2  TYR  35           HB2      TYR  35  53.002 -10.172   2.956
  228    HB3  TYR  35           HB1      TYR  35  53.203  -9.476   4.564
  229    HD1  TYR  35           HD2      TYR  35  53.511 -10.908   6.534
  230    HD2  TYR  35           HD1      TYR  35  53.110 -12.581   2.598
  231    HE1  TYR  35           HE2      TYR  35  54.347 -13.086   7.375
  232    HE2  TYR  35           HE1      TYR  35  53.946 -14.759   3.438
  233    HH   TYR  35           HH       TYR  35  55.495 -15.466   5.486
  234    H    MET  36           HN       MET  36  49.040  -9.314   3.253
  235    HA   MET  36           HA       MET  36  49.582  -6.540   4.097
  236    HB2  MET  36           HB2      MET  36  48.452  -7.305   1.396
  237    HB3  MET  36           HB1      MET  36  48.823  -5.679   1.970
  238    HG2  MET  36           HG2      MET  36  50.859  -7.899   1.622
  239    HG3  MET  36           HG1      MET  36  50.610  -6.569   0.491
  240    HE1  MET  36           HE1      MET  36  53.308  -7.542   2.527
  241    HE2  MET  36           HE2      MET  36  54.026  -5.948   2.309
  242    HE3  MET  36           HE3      MET  36  53.213  -6.732   0.957
  243    H    LEU  37           HN       LEU  37  47.132  -8.731   2.711
  244    HA   LEU  37           HA       LEU  37  44.911  -7.196   3.635
  245    HB2  LEU  37           HB2      LEU  37  45.082 -10.098   2.787
  246    HB3  LEU  37           HB1      LEU  37  43.585  -9.199   3.036
  247    HG   LEU  37           HG       LEU  37  45.455  -7.779   1.296
  248   HD11  LEU  37          HD11      LEU  37  44.408 -10.493   0.433
  249   HD12  LEU  37          HD12      LEU  37  46.103 -10.051   0.636
  250   HD13  LEU  37          HD13      LEU  37  45.144  -9.304  -0.642
  251   HD21  LEU  37          HD21      LEU  37  43.451  -7.487  -0.032
  252   HD22  LEU  37          HD22      LEU  37  42.998  -7.323   1.664
  253   HD23  LEU  37          HD23      LEU  37  42.650  -8.819   0.799
  254    H    VAL  38           HN       VAL  38  47.153  -8.547   5.457
  255    HA   VAL  38           HA       VAL  38  45.250  -9.181   7.615
  256    HB   VAL  38           HB       VAL  38  47.767 -10.787   7.183
  257   HG11  VAL  38          HG11      VAL  38  46.784 -12.277   8.785
  258   HG12  VAL  38          HG12      VAL  38  45.228 -11.451   8.693
  259   HG13  VAL  38          HG13      VAL  38  46.607 -10.651   9.447
  260   HG21  VAL  38          HG21      VAL  38  46.190 -12.565   6.317
  261   HG22  VAL  38          HG22      VAL  38  46.401 -11.194   5.229
  262   HG23  VAL  38          HG23      VAL  38  44.944 -11.321   6.214
  263    H    PHE  39           HN       PHE  39  48.724  -8.766   6.893
  264    HA   PHE  39           HA       PHE  39  49.729  -8.103   9.329
  265    HB2  PHE  39           HB2      PHE  39  50.616  -7.864   6.728
  266    HB3  PHE  39           HB1      PHE  39  50.607  -6.195   7.291
  267    HD1  PHE  39           HD2      PHE  39  51.536  -9.606   8.553
  268    HD2  PHE  39           HD1      PHE  39  52.518  -5.427   8.394
  269    HE1  PHE  39           HE2      PHE  39  53.606 -10.043   9.849
  270    HE2  PHE  39           HE1      PHE  39  54.586  -5.863   9.688
  271    HZ   PHE  39           HZ       PHE  39  55.131  -8.171  10.415
  272    H    LEU  40           HN       LEU  40  48.656  -5.544   7.075
  273    HA   LEU  40           HA       LEU  40  48.251  -3.728   9.311
  274    HB2  LEU  40           HB2      LEU  40  48.238  -3.483   6.323
  275    HB3  LEU  40           HB1      LEU  40  47.433  -2.245   7.286
  276    HG   LEU  40           HG       LEU  40  49.525  -1.924   8.587
  277   HD11  LEU  40          HD11      LEU  40  50.526  -4.115   8.365
  278   HD12  LEU  40          HD12      LEU  40  51.616  -2.945   7.621
  279   HD13  LEU  40          HD13      LEU  40  50.587  -3.959   6.609
  280   HD21  LEU  40          HD21      LEU  40  49.192  -1.408   5.712
  281   HD22  LEU  40          HD22      LEU  40  50.872  -1.349   6.246
  282   HD23  LEU  40          HD23      LEU  40  49.669  -0.305   7.003
  283    H    LEU  41           HN       LEU  41  46.556  -5.420  10.053
  284    HA   LEU  41           HA       LEU  41  43.976  -4.265   9.649
  285    HB2  LEU  41           HB2      LEU  41  43.982  -5.529   7.591
  286    HB3  LEU  41           HB1      LEU  41  44.535  -6.978   8.426
  287    HG   LEU  41           HG       LEU  41  42.438  -7.155   9.636
  288   HD11  LEU  41          HD11      LEU  41  41.779  -4.951  10.126
  289   HD12  LEU  41          HD12      LEU  41  40.600  -5.447   8.912
  290   HD13  LEU  41          HD13      LEU  41  41.963  -4.425   8.454
  291   HD21  LEU  41          HD21      LEU  41  40.869  -7.434   7.735
  292   HD22  LEU  41          HD22      LEU  41  42.465  -8.085   7.364
  293   HD23  LEU  41          HD23      LEU  41  41.976  -6.524   6.705
  294    H    GLY  42           HN       GLY  42  45.672  -7.245  10.611
  295    HA2  GLY  42           HA2      GLY  42  43.815  -7.715  12.795
  296    HA3  GLY  42           HA1      GLY  42  45.212  -8.701  12.377
  297    H    THR  43           HN       THR  43  45.954  -5.398  12.516
  298    HA   THR  43           HA       THR  43  46.357  -5.061  15.305
  299    HB   THR  43           HB       THR  43  48.045  -6.812  14.997
  300    HG1  THR  43           HG1      THR  43  48.924  -4.160  15.396
  301   HG21  THR  43          HG21      THR  43  48.361  -6.052  12.502
  302   HG22  THR  43          HG22      THR  43  49.728  -6.730  13.386
  303   HG23  THR  43          HG23      THR  43  49.589  -4.984  13.184
  304    H    THR  44           HN       THR  44  47.923  -4.326  12.180
  305    HA   THR  44           HA       THR  44  48.516  -2.328  11.211
  306    HB   THR  44           HB       THR  44  46.877  -0.695  11.181
  307    HG1  THR  44           HG1      THR  44  45.559  -1.008  13.467
  308   HG21  THR  44          HG21      THR  44  45.126  -2.711  12.521
  309   HG22  THR  44          HG22      THR  44  45.994  -3.201  11.066
  310   HG23  THR  44          HG23      THR  44  44.877  -1.837  11.009
  311    H    GLY  45           HN       GLY  45  49.139  -3.050  14.293
  312    HA2  GLY  45           HA2      GLY  45  51.110  -2.194  15.367
  313    HA3  GLY  45           HA1      GLY  45  50.751  -0.612  14.683
  314    H    ASN  46           HN       ASN  46  47.813  -1.348  15.476
  315    HA   ASN  46           HA       ASN  46  47.976  -0.060  18.091
  316    HB2  ASN  46           HB2      ASN  46  45.974   0.815  17.572
  317    HB3  ASN  46           HB1      ASN  46  46.206   0.142  15.959
  318   HD21  ASN  46          HD21      ASN  46  45.597  -2.384  15.923
  319   HD22  ASN  46          HD22      ASN  46  44.139  -2.768  16.702
  320    H    GLY  47           HN       GLY  47  48.112  -3.157  17.016
  321    HA2  GLY  47           HA2      GLY  47  46.400  -4.330  19.079
  322    HA3  GLY  47           HA1      GLY  47  47.273  -5.206  17.827
  323    H    LEU  48           HN       LEU  48  49.541  -3.181  18.816
  324    HA   LEU  48           HA       LEU  48  50.340  -4.693  21.213
  325    HB2  LEU  48           HB2      LEU  48  52.701  -4.725  20.188
  326    HB3  LEU  48           HB1      LEU  48  51.530  -5.887  19.563
  327    HG   LEU  48           HG       LEU  48  51.474  -3.285  18.188
  328   HD11  LEU  48          HD11      LEU  48  53.553  -3.821  16.879
  329   HD12  LEU  48          HD12      LEU  48  53.928  -5.063  18.073
  330   HD13  LEU  48          HD13      LEU  48  53.872  -3.367  18.553
  331   HD21  LEU  48          HD21      LEU  48  50.293  -5.446  17.546
  332   HD22  LEU  48          HD22      LEU  48  51.878  -6.092  17.121
  333   HD23  LEU  48          HD23      LEU  48  51.234  -4.696  16.255
  334    H    VAL  49           HN       VAL  49  49.429  -1.879  20.428
  335    HA   VAL  49           HA       VAL  49  51.565  -0.484  21.898
  336    HB   VAL  49           HB       VAL  49  50.248   0.528  19.367
  337   HG11  VAL  49          HG11      VAL  49  50.581   2.506  20.488
  338   HG12  VAL  49          HG12      VAL  49  52.225   2.281  19.890
  339   HG13  VAL  49          HG13      VAL  49  51.816   1.821  21.543
  340   HG21  VAL  49          HG21      VAL  49  52.591   0.489  18.513
  341   HG22  VAL  49          HG22      VAL  49  52.009  -1.122  18.935
  342   HG23  VAL  49          HG23      VAL  49  53.104  -0.267  20.021
  343    H    LEU  50           HN       LEU  50  48.483  -1.425  21.895
  344    HA   LEU  50           HA       LEU  50  47.609   0.933  23.437
  345    HB2  LEU  50           HB2      LEU  50  46.460   1.145  21.341
  346    HB3  LEU  50           HB1      LEU  50  46.049  -0.568  21.324
  347    HG   LEU  50           HG       LEU  50  44.522  -0.302  23.170
  348   HD11  LEU  50          HD11      LEU  50  45.799   2.425  23.387
  349   HD12  LEU  50          HD12      LEU  50  45.610   1.199  24.641
  350   HD13  LEU  50          HD13      LEU  50  44.207   2.106  24.076
  351   HD21  LEU  50          HD21      LEU  50  44.113   0.813  20.717
  352   HD22  LEU  50          HD22      LEU  50  43.828   2.207  21.759
  353   HD23  LEU  50          HD23      LEU  50  42.879   0.737  21.975
  354    H    TRP  51           HN       TRP  51  46.488  -2.350  22.574
  355    HA   TRP  51           HA       TRP  51  45.259  -2.808  25.101
  356    HB2  TRP  51           HB2      TRP  51  44.373  -4.507  23.944
  357    HB3  TRP  51           HB1      TRP  51  45.454  -4.151  22.597
  358    HD1  TRP  51           HD1      TRP  51  47.920  -5.339  22.693
  359    HE1  TRP  51           HE1      TRP  51  48.597  -7.638  23.646
  360    HE3  TRP  51           HE3      TRP  51  43.896  -6.269  25.696
  361    HZ2  TRP  51           HZ2      TRP  51  47.566  -9.610  25.444
  362    HZ3  TRP  51           HZ3      TRP  51  43.769  -8.363  27.017
  363    HH2  TRP  51           HH2      TRP  51  45.597 -10.032  26.894
  364    H    THR  52           HN       THR  52  48.485  -2.702  24.191
  365    HA   THR  52           HA       THR  52  49.380  -4.713  26.119
  366    HB   THR  52           HB       THR  52  50.429  -4.210  23.776
  367    HG1  THR  52           HG1      THR  52  52.393  -4.238  25.726
  368   HG21  THR  52          HG21      THR  52  50.632  -1.719  24.502
  369   HG22  THR  52          HG22      THR  52  51.989  -2.459  23.652
  370   HG23  THR  52          HG23      THR  52  52.047  -2.264  25.404
  371    H    VAL  53           HN       VAL  53  48.533  -1.465  26.108
  372    HA   VAL  53           HA       VAL  53  50.486  -0.409  27.900
  373    HB   VAL  53           HB       VAL  53  47.650   0.525  27.402
  374   HG11  VAL  53          HG11      VAL  53  50.101   1.853  28.592
  375   HG12  VAL  53          HG12      VAL  53  48.568   1.532  29.402
  376   HG13  VAL  53          HG13      VAL  53  48.649   2.730  28.111
  377   HG21  VAL  53          HG21      VAL  53  49.062   0.341  25.342
  378   HG22  VAL  53          HG22      VAL  53  50.252   1.397  26.104
  379   HG23  VAL  53          HG23      VAL  53  48.639   2.007  25.734
  380    H    PHE  54           HN       PHE  54  47.243  -1.788  28.335
  381    HA   PHE  54           HA       PHE  54  47.384  -1.495  31.221
  382    HB2  PHE  54           HB2      PHE  54  45.154  -1.696  31.104
  383    HB3  PHE  54           HB1      PHE  54  45.315  -1.764  29.349
  384    HD1  PHE  54           HD2      PHE  54  45.699  -4.025  28.241
  385    HD2  PHE  54           HD1      PHE  54  44.512  -3.610  32.348
  386    HE1  PHE  54           HE2      PHE  54  44.950  -6.389  28.263
  387    HE2  PHE  54           HE1      PHE  54  43.764  -5.974  32.371
  388    HZ   PHE  54           HZ       PHE  54  43.982  -7.363  30.328
  389    H    ARG  55           HN       ARG  55  48.833  -3.539  29.125
  390    HA   ARG  55           HA       ARG  55  48.508  -5.939  30.800
  391    HB2  ARG  55           HB2      ARG  55  48.268  -6.102  28.302
  392    HB3  ARG  55           HB1      ARG  55  49.978  -5.683  28.171
  393    HG2  ARG  55           HG2      ARG  55  50.627  -7.639  29.434
  394    HG3  ARG  55           HG1      ARG  55  48.947  -8.012  29.816
  395    HD2  ARG  55           HD2      ARG  55  48.584  -8.155  27.270
  396    HD3  ARG  55           HD1      ARG  55  50.339  -8.199  27.144
  397    HE   ARG  55           HE       ARG  55  48.614 -10.291  28.211
  398   HH11  ARG  55          HH21      ARG  55  51.796  -8.967  27.888
  399   HH12  ARG  55          HH22      ARG  55  52.600 -10.468  28.201
  400   HH21  ARG  55          HH11      ARG  55  49.663 -12.263  28.618
  401   HH22  ARG  55          HH12      ARG  55  51.393 -12.333  28.616
  402    H    LYS  56           HN       LYS  56  51.027  -3.840  29.416
  403    HA   LYS  56           HA       LYS  56  53.242  -5.099  30.606
  404    HB2  LYS  56           HB2      LYS  56  54.375  -2.889  30.271
  405    HB3  LYS  56           HB1      LYS  56  53.562  -3.497  28.828
  406    HG2  LYS  56           HG2      LYS  56  52.313  -1.631  28.738
  407    HG3  LYS  56           HG1      LYS  56  51.664  -1.985  30.340
  408    HD2  LYS  56           HD2      LYS  56  53.540  -0.849  31.401
  409    HD3  LYS  56           HD1      LYS  56  54.302  -0.583  29.833
  410    HE2  LYS  56           HE2      LYS  56  52.603   0.934  29.145
  411    HE3  LYS  56           HE1      LYS  56  51.533   0.448  30.460
  412    HZ1  LYS  56           HZ1      LYS  56  53.693   2.346  30.459
  413    HZ2  LYS  56           HZ2      LYS  56  53.766   1.248  31.755
  414    HZ3  LYS  56           HZ3      LYS  56  52.378   2.200  31.522
  415    H    LYS  57           HN       LYS  57  50.788  -3.073  31.933
  416    HA   LYS  57           HA       LYS  57  52.374  -2.589  34.368
  417    HB2  LYS  57           HB2      LYS  57  50.603  -0.993  34.965
  418    HB3  LYS  57           HB1      LYS  57  51.269  -0.628  33.374
  419    HG2  LYS  57           HG2      LYS  57  49.183  -0.747  32.539
  420    HG3  LYS  57           HG1      LYS  57  49.180  -2.469  32.923
  421    HD2  LYS  57           HD2      LYS  57  47.261  -1.467  34.004
  422    HD3  LYS  57           HD1      LYS  57  48.437  -1.873  35.254
  423    HE2  LYS  57           HE2      LYS  57  49.109   0.724  34.369
  424    HE3  LYS  57           HE1      LYS  57  47.357   0.714  34.563
  425    HZ1  LYS  57           HZ1      LYS  57  48.509   1.289  36.623
  426    HZ2  LYS  57           HZ2      LYS  57  49.308  -0.211  36.602
  427    HZ3  LYS  57           HZ3      LYS  57  47.620  -0.146  36.787
  428    H    GLY  58           HN       GLY  58  50.780  -5.083  33.320
  429    HA2  GLY  58           HA2      GLY  58  49.790  -5.819  35.965
  430    HA3  GLY  58           HA1      GLY  58  48.602  -5.829  34.665
  431    H    HIS  59           HN       HIS  59  49.539  -6.980  32.593
  432    HA   HIS  59           HA       HIS  59  50.242  -8.932  31.603
  433    HB2  HIS  59           HB2      HIS  59  52.283  -8.276  33.364
  434    HB3  HIS  59           HB1      HIS  59  51.894  -9.945  33.784
  435    HD2  HIS  59           HD2      HIS  59  52.746  -7.980  30.415
  436    HE1  HIS  59           HE1      HIS  59  54.008 -11.992  30.052
  437    HE2  HIS  59           HE2      HIS  59  53.949  -9.731  28.898
  438    H    HIS  60           HN       HIS  60  50.269  -9.725  35.085
  439    HA   HIS  60           HA       HIS  60  47.981 -11.519  34.662
  440    HB2  HIS  60           HB2      HIS  60  50.550 -12.393  36.005
  441    HB3  HIS  60           HB1      HIS  60  49.094 -13.365  35.797
  442    HD2  HIS  60           HD2      HIS  60  52.304 -12.553  33.863
  443    HE1  HIS  60           HE1      HIS  60  49.650 -14.275  31.067
  444    HE2  HIS  60           HE2      HIS  60  52.052 -13.553  31.464
  445    H    HIS  61           HN       HIS  61  50.178  -9.878  36.881
  446    HA   HIS  61           HA       HIS  61  48.247 -10.196  39.075
  447    HB2  HIS  61           HB2      HIS  61  50.703 -10.655  39.433
  448    HB3  HIS  61           HB1      HIS  61  50.993  -8.934  39.177
  449    HD2  HIS  61           HD2      HIS  61  47.772  -8.922  41.008
  450    HE1  HIS  61           HE1      HIS  61  50.657  -9.120  44.083
  451    HE2  HIS  61           HE2      HIS  61  48.212  -8.664  43.569
  452    H    HIS  62           HN       HIS  62  46.679  -8.751  38.131
  453    HA   HIS  62           HA       HIS  62  46.985  -6.178  37.262
  454    HB2  HIS  62           HB2      HIS  62  44.845  -7.703  38.545
  455    HB3  HIS  62           HB1      HIS  62  44.747  -5.971  38.871
  456    HD2  HIS  62           HD2      HIS  62  44.264  -8.435  35.892
  457    HE1  HIS  62           HE1      HIS  62  43.695  -4.525  34.405
  458    HE2  HIS  62           HE2      HIS  62  43.487  -6.995  33.856
  459    H    HIS  63           HN       HIS  63  46.952  -7.298  40.621
  460    HA   HIS  63           HA       HIS  63  47.364  -4.588  41.619
  461    HB2  HIS  63           HB2      HIS  63  46.681  -7.223  42.789
  462    HB3  HIS  63           HB1      HIS  63  47.640  -6.147  43.807
  463    HD2  HIS  63           HD2      HIS  63  44.007  -6.728  43.200
  464    HE1  HIS  63           HE1      HIS  63  44.259  -2.596  44.029
  465    HE2  HIS  63           HE2      HIS  63  42.673  -4.566  43.804
  466    H    HIS  64           HN       HIS  64  49.420  -4.239  40.563
  467    HA   HIS  64           HA       HIS  64  51.697  -5.857  40.983
  468    HB2  HIS  64           HB2      HIS  64  51.426  -4.025  39.252
  469    HB3  HIS  64           HB1      HIS  64  51.714  -2.867  40.550
  470    HD2  HIS  64           HD2      HIS  64  53.705  -6.064  39.206
  471    HE1  HIS  64           HE1      HIS  64  56.454  -3.097  40.416
  472    HE2  HIS  64           HE2      HIS  64  56.227  -5.419  39.413
  Start of MODEL   39
    1    H1   MET   1           HT1      MET   1  67.133 -16.697 -22.699
    2    H2   MET   1           HT2      MET   1  65.542 -16.793 -22.108
    3    H3   MET   1           HT3      MET   1  66.851 -17.196 -21.103
    4    HA   MET   1           HA       MET   1  67.648 -14.850 -21.360
    5    HB2  MET   1           HB2      MET   1  65.653 -14.811 -23.298
    6    HB3  MET   1           HB1      MET   1  64.942 -13.917 -21.954
    7    HG2  MET   1           HG2      MET   1  67.647 -13.373 -23.212
    8    HG3  MET   1           HG1      MET   1  66.197 -12.393 -23.418
    9    HE1  MET   1           HE1      MET   1  65.636 -10.493 -22.129
   10    HE2  MET   1           HE2      MET   1  65.724 -10.391 -20.373
   11    HE3  MET   1           HE3      MET   1  64.781 -11.675 -21.128
   12    H    GLU   2           HN       GLU   2  66.042 -17.013 -19.784
   13    HA   GLU   2           HA       GLU   2  64.982 -17.192 -17.749
   14    HB2  GLU   2           HB2      GLU   2  66.735 -14.777 -17.490
   15    HB3  GLU   2           HB1      GLU   2  65.633 -15.189 -16.174
   16    HG2  GLU   2           HG2      GLU   2  66.591 -17.442 -16.044
   17    HG3  GLU   2           HG1      GLU   2  67.659 -17.083 -17.400
   18    H    GLU   3           HN       GLU   3  62.995 -16.748 -19.155
   19    HA   GLU   3           HA       GLU   3  61.745 -14.182 -19.009
   20    HB2  GLU   3           HB2      GLU   3  59.701 -15.472 -19.737
   21    HB3  GLU   3           HB1      GLU   3  61.103 -15.657 -20.790
   22    HG2  GLU   3           HG2      GLU   3  60.995 -17.606 -18.586
   23    HG3  GLU   3           HG1      GLU   3  59.664 -17.744 -19.733
   24    H    GLY   4           HN       GLY   4  62.272 -16.554 -16.701
   25    HA2  GLY   4           HA2      GLY   4  61.662 -16.427 -14.440
   26    HA3  GLY   4           HA1      GLY   4  60.397 -15.278 -14.866
   27    H    GLY   5           HN       GLY   5  58.426 -16.086 -15.794
   28    HA2  GLY   5           HA2      GLY   5  56.608 -17.500 -15.745
   29    HA3  GLY   5           HA1      GLY   5  57.748 -18.727 -16.290
   30    H    ASP   6           HN       ASP   6  58.566 -17.292 -13.311
   31    HA   ASP   6           HA       ASP   6  57.984 -19.779 -11.910
   32    HB2  ASP   6           HB2      ASP   6  59.185 -18.584 -10.016
   33    HB3  ASP   6           HB1      ASP   6  60.144 -18.880 -11.466
   34    H    PHE   7           HN       PHE   7  56.006 -17.485 -12.735
   35    HA   PHE   7           HA       PHE   7  54.105 -16.521 -11.875
   36    HB2  PHE   7           HB2      PHE   7  54.393 -18.872  -9.990
   37    HB3  PHE   7           HB1      PHE   7  52.958 -17.851 -10.097
   38    HD1  PHE   7           HD1      PHE   7  55.052 -20.323 -11.873
   39    HD2  PHE   7           HD2      PHE   7  51.474 -17.949 -12.014
   40    HE1  PHE   7           HE1      PHE   7  54.247 -21.652 -13.806
   41    HE2  PHE   7           HE2      PHE   7  50.670 -19.278 -13.947
   42    HZ   PHE   7           HZ       PHE   7  52.056 -21.129 -14.843
   43    H    ASP   8           HN       ASP   8  56.492 -15.322 -11.036
   44    HA   ASP   8           HA       ASP   8  55.580 -14.066  -8.580
   45    HB2  ASP   8           HB2      ASP   8  57.149 -16.142  -8.105
   46    HB3  ASP   8           HB1      ASP   8  58.419 -14.996  -8.533
   47    H    ASN   9           HN       ASN   9  55.659 -12.969 -11.075
   48    HA   ASN   9           HA       ASN   9  57.810 -10.980 -10.780
   49    HB2  ASN   9           HB2      ASN   9  57.530 -12.885 -12.939
   50    HB3  ASN   9           HB1      ASN   9  57.391 -11.234 -13.541
   51   HD21  ASN   9          HD21      ASN   9  59.358 -10.231 -13.970
   52   HD22  ASN   9          HD22      ASN   9  60.843 -10.666 -13.272
   53    H    TYR  10           HN       TYR  10  54.564 -11.797 -11.465
   54    HA   TYR  10           HA       TYR  10  53.840  -8.982 -11.582
   55    HB2  TYR  10           HB2      TYR  10  54.264 -10.118 -13.988
   56    HB3  TYR  10           HB1      TYR  10  52.586 -10.597 -13.733
   57    HD1  TYR  10           HD2      TYR  10  54.894  -7.747 -14.120
   58    HD2  TYR  10           HD1      TYR  10  50.804  -8.945 -13.588
   59    HE1  TYR  10           HE2      TYR  10  54.148  -5.457 -14.710
   60    HE2  TYR  10           HE1      TYR  10  50.057  -6.654 -14.178
   61    HH   TYR  10           HH       TYR  10  52.051  -4.020 -14.197
   62    H    TYR  11           HN       TYR  11  53.419 -11.819 -10.225
   63    HA   TYR  11           HA       TYR  11  50.492 -11.886 -10.225
   64    HB2  TYR  11           HB2      TYR  11  52.604 -13.694  -9.044
   65    HB3  TYR  11           HB1      TYR  11  50.883 -13.894  -8.716
   66    HD1  TYR  11           HD1      TYR  11  53.326 -13.586 -11.535
   67    HD2  TYR  11           HD2      TYR  11  49.520 -15.080 -10.219
   68    HE1  TYR  11           HE1      TYR  11  53.051 -14.785 -13.688
   69    HE2  TYR  11           HE2      TYR  11  49.245 -16.278 -12.373
   70    HH   TYR  11           HH       TYR  11  51.395 -17.137 -14.284
   71    H    GLY  12           HN       GLY  12  50.449  -9.717  -9.188
   72    HA2  GLY  12           HA2      GLY  12  50.304  -8.317  -7.353
   73    HA3  GLY  12           HA1      GLY  12  49.644  -9.751  -6.572
   74    H    ALA  13           HN       ALA  13  52.883  -8.697  -7.656
   75    HA   ALA  13           HA       ALA  13  53.953  -8.541  -5.027
   76    HB1  ALA  13           HB1      ALA  13  55.284 -10.513  -4.922
   77    HB2  ALA  13           HB2      ALA  13  54.892 -10.951  -6.585
   78    HB3  ALA  13           HB3      ALA  13  53.655 -11.049  -5.331
   79    H    ASP  14           HN       ASP  14  54.889  -9.486  -8.339
   80    HA   ASP  14           HA       ASP  14  56.643  -8.792  -9.667
   81    HB2  ASP  14           HB2      ASP  14  56.588  -6.517 -10.163
   82    HB3  ASP  14           HB1      ASP  14  54.990  -6.782  -9.467
   83    H    ASN  15           HN       ASN  15  57.125  -9.371  -6.658
   84    HA   ASN  15           HA       ASN  15  58.870  -9.276  -5.157
   85    HB2  ASN  15           HB2      ASN  15  60.603  -8.921  -7.600
   86    HB3  ASN  15           HB1      ASN  15  61.002  -9.741  -6.092
   87   HD21  ASN  15          HD21      ASN  15  58.984 -11.495  -5.636
   88   HD22  ASN  15          HD22      ASN  15  58.756 -12.545  -6.950
   89    H    GLN  16           HN       GLN  16  58.585  -7.380  -4.040
   90    HA   GLN  16           HA       GLN  16  59.026  -4.784  -4.971
   91    HB2  GLN  16           HB2      GLN  16  59.596  -5.624  -2.134
   92    HB3  GLN  16           HB1      GLN  16  58.933  -4.096  -2.716
   93    HG2  GLN  16           HG2      GLN  16  56.934  -5.028  -2.153
   94    HG3  GLN  16           HG1      GLN  16  57.097  -5.852  -3.702
   95   HE21  GLN  16          HE21      GLN  16  56.932  -8.092  -3.581
   96   HE22  GLN  16          HE22      GLN  16  57.242  -9.016  -2.192
   97    H    SER  17           HN       SER  17  61.240  -6.844  -3.071
   98    HA   SER  17           HA       SER  17  63.540  -6.008  -4.536
   99    HB2  SER  17           HB2      SER  17  63.062  -4.762  -1.827
  100    HB3  SER  17           HB1      SER  17  64.651  -4.850  -2.582
  101    HG   SER  17           HG       SER  17  63.959  -3.544  -4.196
  102    H    GLU  18           HN       GLU  18  62.141  -8.384  -3.376
  103    HA   GLU  18           HA       GLU  18  64.520  -9.744  -2.442
  104    HB2  GLU  18           HB2      GLU  18  62.636  -8.713  -0.542
  105    HB3  GLU  18           HB1      GLU  18  62.565 -10.476  -0.525
  106    HG2  GLU  18           HG2      GLU  18  64.985 -10.607  -0.218
  107    HG3  GLU  18           HG1      GLU  18  65.118  -8.853  -0.335
  108    H    CYS  19           HN       CYS  19  64.517 -11.621  -3.481
  109    HA   CYS  19           HA       CYS  19  62.244 -13.372  -3.480
  110    HB2  CYS  19           HB2      CYS  19  61.983 -13.459  -5.953
  111    HB3  CYS  19           HB1      CYS  19  61.501 -11.905  -5.273
  112    HG   CYS  19           HG       CYS  19  63.917 -12.380  -7.112
  113    H    GLU  20           HN       GLU  20  65.259 -12.581  -5.208
  114    HA   GLU  20           HA       GLU  20  65.919 -15.374  -5.578
  115    HB2  GLU  20           HB2      GLU  20  67.285 -12.771  -6.212
  116    HB3  GLU  20           HB1      GLU  20  68.147 -14.304  -6.351
  117    HG2  GLU  20           HG2      GLU  20  65.445 -14.209  -7.577
  118    HG3  GLU  20           HG1      GLU  20  66.692 -13.250  -8.372
  119    H    TYR  21           HN       TYR  21  65.749 -13.788  -2.859
  120    HA   TYR  21           HA       TYR  21  68.053 -15.178  -1.689
  121    HB2  TYR  21           HB2      TYR  21  67.843 -12.310  -1.977
  122    HB3  TYR  21           HB1      TYR  21  67.881 -12.761  -0.272
  123    HD1  TYR  21           HD1      TYR  21  69.684 -14.499   0.443
  124    HD2  TYR  21           HD2      TYR  21  69.836 -12.255  -3.217
  125    HE1  TYR  21           HE1      TYR  21  72.120 -14.937   0.275
  126    HE2  TYR  21           HE2      TYR  21  72.272 -12.693  -3.384
  127    HH   TYR  21           HH       TYR  21  73.921 -14.225  -2.585
  128    H    THR  22           HN       THR  22  64.875 -14.896  -1.762
  129    HA   THR  22           HA       THR  22  64.592 -15.549   1.094
  130    HB   THR  22           HB       THR  22  62.216 -14.250   0.444
  131    HG1  THR  22           HG1      THR  22  64.480 -12.820  -0.486
  132   HG21  THR  22          HG21      THR  22  63.028 -12.566   2.063
  133   HG22  THR  22          HG22      THR  22  64.658 -13.221   1.912
  134   HG23  THR  22          HG23      THR  22  63.374 -14.207   2.609
  135    H    ASP  23           HN       ASP  23  64.480 -16.777  -1.794
  136    HA   ASP  23           HA       ASP  23  61.812 -17.989  -1.678
  137    HB2  ASP  23           HB2      ASP  23  62.263 -17.429  -3.884
  138    HB3  ASP  23           HB1      ASP  23  63.976 -17.824  -3.743
  139    H    TRP  24           HN       TRP  24  65.233 -18.838  -1.421
  140    HA   TRP  24           HA       TRP  24  65.138 -21.588  -1.441
  141    HB2  TRP  24           HB2      TRP  24  67.188 -21.575  -0.309
  142    HB3  TRP  24           HB1      TRP  24  67.148 -19.987  -1.075
  143    HD1  TRP  24           HD1      TRP  24  66.843 -17.874   0.459
  144    HE1  TRP  24           HE1      TRP  24  67.021 -17.523   3.008
  145    HE3  TRP  24           HE3      TRP  24  66.759 -22.733   2.029
  146    HZ2  TRP  24           HZ2      TRP  24  67.115 -19.094   5.395
  147    HZ3  TRP  24           HZ3      TRP  24  66.893 -23.276   4.443
  148    HH2  TRP  24           HH2      TRP  24  67.072 -21.464   6.126
  149    H    LYS  25           HN       LYS  25  63.571 -19.488   0.721
  150    HA   LYS  25           HA       LYS  25  62.850 -21.775   2.432
  151    HB2  LYS  25           HB2      LYS  25  62.661 -19.965   4.312
  152    HB3  LYS  25           HB1      LYS  25  64.221 -20.680   3.945
  153    HG2  LYS  25           HG2      LYS  25  64.744 -18.407   4.027
  154    HG3  LYS  25           HG1      LYS  25  64.496 -18.638   2.307
  155    HD2  LYS  25           HD2      LYS  25  63.020 -16.936   2.432
  156    HD3  LYS  25           HD1      LYS  25  61.942 -18.048   3.264
  157    HE2  LYS  25           HE2      LYS  25  62.151 -16.144   4.694
  158    HE3  LYS  25           HE1      LYS  25  63.137 -17.412   5.419
  159    HZ1  LYS  25           HZ1      LYS  25  64.685 -15.802   5.414
  160    HZ2  LYS  25           HZ2      LYS  25  63.944 -14.924   4.163
  161    HZ3  LYS  25           HZ3      LYS  25  64.909 -16.274   3.801
  162    H    SER  26           HN       SER  26  61.833 -19.502   0.303
  163    HA   SER  26           HA       SER  26  59.788 -18.642  -0.284
  164    HB2  SER  26           HB2      SER  26  58.512 -20.472  -0.492
  165    HB3  SER  26           HB1      SER  26  59.329 -21.262   0.853
  166    HG   SER  26           HG       SER  26  57.934 -20.257   2.262
  167    H    SER  27           HN       SER  27  59.455 -16.660   0.515
  168    HA   SER  27           HA       SER  27  57.766 -16.245   2.757
  169    HB2  SER  27           HB2      SER  27  60.041 -16.804   3.831
  170    HB3  SER  27           HB1      SER  27  60.567 -15.237   3.222
  171    HG   SER  27           HG       SER  27  58.597 -15.869   5.128
  172    H    GLY  28           HN       GLY  28  60.282 -14.870   0.677
  173    HA2  GLY  28           HA2      GLY  28  59.301 -12.182   0.824
  174    HA3  GLY  28           HA1      GLY  28  60.469 -12.802  -0.338
  175    H    ALA  29           HN       ALA  29  57.568 -14.587  -0.129
  176    HA   ALA  29           HA       ALA  29  56.373 -13.135  -2.402
  177    HB1  ALA  29           HB1      ALA  29  57.150 -14.806  -3.725
  178    HB2  ALA  29           HB2      ALA  29  55.812 -15.725  -3.038
  179    HB3  ALA  29           HB3      ALA  29  57.432 -15.887  -2.361
  180    H    LEU  30           HN       LEU  30  56.050 -14.593   0.602
  181    HA   LEU  30           HA       LEU  30  53.120 -14.879   0.287
  182    HB2  LEU  30           HB2      LEU  30  54.840 -16.058   2.476
  183    HB3  LEU  30           HB1      LEU  30  53.152 -16.429   2.117
  184    HG   LEU  30           HG       LEU  30  55.518 -16.991   0.304
  185   HD11  LEU  30          HD11      LEU  30  54.057 -19.324   0.919
  186   HD12  LEU  30          HD12      LEU  30  54.264 -18.472   2.449
  187   HD13  LEU  30          HD13      LEU  30  55.674 -18.903   1.481
  188   HD21  LEU  30          HD21      LEU  30  52.542 -17.149  -0.043
  189   HD22  LEU  30          HD22      LEU  30  53.554 -18.358  -0.834
  190   HD23  LEU  30          HD23      LEU  30  53.774 -16.646  -1.200
  191    H    ILE  31           HN       ILE  31  55.707 -13.305   2.006
  192    HA   ILE  31           HA       ILE  31  54.090 -12.272   4.130
  193    HB   ILE  31           HB       ILE  31  56.889 -11.977   3.214
  194   HG12  ILE  31          HG12      ILE  31  57.295 -12.275   5.600
  195   HG13  ILE  31          HG11      ILE  31  55.580 -12.055   5.946
  196   HG21  ILE  31          HG21      ILE  31  57.170  -9.997   4.787
  197   HG22  ILE  31          HG22      ILE  31  55.423  -9.785   4.710
  198   HG23  ILE  31          HG23      ILE  31  56.399  -9.624   3.247
  199   HD11  ILE  31          HD11      ILE  31  55.017 -14.148   5.195
  200   HD12  ILE  31          HD12      ILE  31  56.690 -14.491   5.632
  201   HD13  ILE  31          HD13      ILE  31  56.270 -14.152   3.953
  202    HA   PRO  32           HA       PRO  32  53.818  -8.395   1.420
  203    HB2  PRO  32           HB2      PRO  32  54.526  -8.499  -1.193
  204    HB3  PRO  32           HB1      PRO  32  55.709  -8.239   0.103
  205    HG2  PRO  32           HG2      PRO  32  55.209 -10.634  -1.534
  206    HG3  PRO  32           HG1      PRO  32  56.688 -10.107  -0.717
  207    HD2  PRO  32           HD2      PRO  32  54.829 -12.076   0.188
  208    HD3  PRO  32           HD1      PRO  32  56.238 -11.445   1.065
  209    H    ALA  33           HN       ALA  33  52.210 -11.018   1.328
  210    HA   ALA  33           HA       ALA  33  50.265 -10.151  -0.730
  211    HB1  ALA  33           HB1      ALA  33  51.347 -12.862  -0.105
  212    HB2  ALA  33           HB2      ALA  33  50.932 -12.149  -1.664
  213    HB3  ALA  33           HB3      ALA  33  49.657 -12.730  -0.591
  214    H    ILE  34           HN       ILE  34  50.885 -11.106   2.526
  215    HA   ILE  34           HA       ILE  34  47.997 -11.219   3.122
  216    HB   ILE  34           HB       ILE  34  50.296 -11.945   4.946
  217   HG12  ILE  34          HG12      ILE  34  48.612 -13.735   3.162
  218   HG13  ILE  34          HG11      ILE  34  50.312 -13.345   2.898
  219   HG21  ILE  34          HG21      ILE  34  48.065 -11.430   5.968
  220   HG22  ILE  34          HG22      ILE  34  48.570 -13.102   6.211
  221   HG23  ILE  34          HG23      ILE  34  47.363 -12.715   4.985
  222   HD11  ILE  34          HD11      ILE  34  50.645 -14.235   5.328
  223   HD12  ILE  34          HD12      ILE  34  50.429 -15.401   4.023
  224   HD13  ILE  34          HD13      ILE  34  49.077 -15.005   5.084
  225    H    TYR  35           HN       TYR  35  51.031  -9.684   4.141
  226    HA   TYR  35           HA       TYR  35  49.748  -7.938   6.029
  227    HB2  TYR  35           HB2      TYR  35  52.512  -8.144   4.867
  228    HB3  TYR  35           HB1      TYR  35  52.049  -6.748   5.841
  229    HD1  TYR  35           HD2      TYR  35  52.096 -10.487   5.867
  230    HD2  TYR  35           HD1      TYR  35  52.053  -6.876   8.192
  231    HE1  TYR  35           HE2      TYR  35  52.435 -11.814   7.935
  232    HE2  TYR  35           HE1      TYR  35  52.392  -8.203  10.260
  233    HH   TYR  35           HH       TYR  35  53.094 -10.284  11.012
  234    H    MET  36           HN       MET  36  48.860  -7.962   3.152
  235    HA   MET  36           HA       MET  36  49.324  -5.113   2.507
  236    HB2  MET  36           HB2      MET  36  48.591  -7.459   0.747
  237    HB3  MET  36           HB1      MET  36  48.555  -5.781   0.202
  238    HG2  MET  36           HG2      MET  36  51.012  -7.027   1.450
  239    HG3  MET  36           HG1      MET  36  50.711  -7.061  -0.289
  240    HE1  MET  36           HE1      MET  36  52.988  -4.040   1.820
  241    HE2  MET  36           HE2      MET  36  53.137  -5.763   1.483
  242    HE3  MET  36           HE3      MET  36  51.994  -5.208   2.702
  243    H    LEU  37           HN       LEU  37  46.879  -7.661   2.747
  244    HA   LEU  37           HA       LEU  37  44.760  -5.616   2.582
  245    HB2  LEU  37           HB2      LEU  37  44.590  -8.632   2.367
  246    HB3  LEU  37           HB1      LEU  37  43.234  -7.516   2.210
  247    HG   LEU  37           HG       LEU  37  45.633  -7.048   0.489
  248   HD11  LEU  37          HD11      LEU  37  45.336  -9.423   0.175
  249   HD12  LEU  37          HD12      LEU  37  44.612  -8.612  -1.213
  250   HD13  LEU  37          HD13      LEU  37  43.585  -9.242   0.074
  251   HD21  LEU  37          HD21      LEU  37  43.352  -5.716   0.706
  252   HD22  LEU  37          HD22      LEU  37  42.758  -6.983  -0.367
  253   HD23  LEU  37          HD23      LEU  37  44.097  -5.953  -0.875
  254    H    VAL  38           HN       VAL  38  46.081  -8.181   4.602
  255    HA   VAL  38           HA       VAL  38  44.038  -7.937   6.624
  256    HB   VAL  38           HB       VAL  38  46.753  -9.229   6.918
  257   HG11  VAL  38          HG11      VAL  38  45.465  -8.982   8.983
  258   HG12  VAL  38          HG12      VAL  38  45.476 -10.677   8.496
  259   HG13  VAL  38          HG13      VAL  38  44.046  -9.685   8.209
  260   HG21  VAL  38          HG21      VAL  38  45.182 -11.303   6.312
  261   HG22  VAL  38          HG22      VAL  38  46.014 -10.386   5.054
  262   HG23  VAL  38          HG23      VAL  38  44.315 -10.067   5.401
  263    H    PHE  39           HN       PHE  39  47.519  -7.145   6.501
  264    HA   PHE  39           HA       PHE  39  47.873  -5.962   8.940
  265    HB2  PHE  39           HB2      PHE  39  49.769  -6.116   7.541
  266    HB3  PHE  39           HB1      PHE  39  48.982  -5.228   6.236
  267    HD1  PHE  39           HD2      PHE  39  49.973  -4.814   9.830
  268    HD2  PHE  39           HD1      PHE  39  49.411  -2.939   6.006
  269    HE1  PHE  39           HE2      PHE  39  50.867  -2.688  10.741
  270    HE2  PHE  39           HE1      PHE  39  50.306  -0.813   6.917
  271    HZ   PHE  39           HZ       PHE  39  51.034  -0.688   9.285
  272    H    LEU  40           HN       LEU  40  45.818  -4.899   6.419
  273    HA   LEU  40           HA       LEU  40  45.345  -2.348   7.846
  274    HB2  LEU  40           HB2      LEU  40  45.255  -2.925   4.879
  275    HB3  LEU  40           HB1      LEU  40  44.611  -1.455   5.609
  276    HG   LEU  40           HG       LEU  40  47.301  -2.028   6.562
  277   HD11  LEU  40          HD11      LEU  40  47.683  -3.041   4.405
  278   HD12  LEU  40          HD12      LEU  40  48.392  -1.426   4.364
  279   HD13  LEU  40          HD13      LEU  40  46.840  -1.728   3.582
  280   HD21  LEU  40          HD21      LEU  40  46.098   0.137   6.755
  281   HD22  LEU  40          HD22      LEU  40  46.111   0.286   4.997
  282   HD23  LEU  40          HD23      LEU  40  47.628   0.318   5.896
  283    H    LEU  41           HN       LEU  41  44.060  -4.782   8.492
  284    HA   LEU  41           HA       LEU  41  41.325  -3.968   8.259
  285    HB2  LEU  41           HB2      LEU  41  41.421  -4.959   6.077
  286    HB3  LEU  41           HB1      LEU  41  42.276  -6.372   6.690
  287    HG   LEU  41           HG       LEU  41  40.330  -7.130   7.892
  288   HD11  LEU  41          HD11      LEU  41  38.177  -5.711   7.622
  289   HD12  LEU  41          HD12      LEU  41  39.267  -4.386   7.214
  290   HD13  LEU  41          HD13      LEU  41  39.374  -5.161   8.795
  291   HD21  LEU  41          HD21      LEU  41  39.585  -6.111   5.134
  292   HD22  LEU  41          HD22      LEU  41  38.668  -7.317   6.035
  293   HD23  LEU  41          HD23      LEU  41  40.316  -7.671   5.514
  294    H    GLY  42           HN       GLY  42  43.127  -7.033   8.629
  295    HA2  GLY  42           HA2      GLY  42  41.523  -7.981  10.771
  296    HA3  GLY  42           HA1      GLY  42  43.096  -8.616  10.302
  297    H    THR  43           HN       THR  43  43.823  -5.528  10.677
  298    HA   THR  43           HA       THR  43  43.968  -5.494  13.606
  299    HB   THR  43           HB       THR  43  46.027  -6.632  12.881
  300    HG1  THR  43           HG1      THR  43  47.409  -4.614  13.559
  301   HG21  THR  43          HG21      THR  43  45.937  -5.337  10.609
  302   HG22  THR  43          HG22      THR  43  47.506  -5.743  11.304
  303   HG23  THR  43          HG23      THR  43  46.861  -4.110  11.476
  304    H    THR  44           HN       THR  44  44.951  -3.813  10.619
  305    HA   THR  44           HA       THR  44  44.810  -1.602  10.007
  306    HB   THR  44           HB       THR  44  42.906  -0.432  10.630
  307    HG1  THR  44           HG1      THR  44  42.362  -0.173  12.647
  308   HG21  THR  44          HG21      THR  44  41.896  -3.026  11.700
  309   HG22  THR  44          HG22      THR  44  42.570  -3.024  10.070
  310   HG23  THR  44          HG23      THR  44  41.207  -1.977  10.462
  311    H    GLY  45           HN       GLY  45  46.066  -2.672  12.842
  312    HA2  GLY  45           HA2      GLY  45  47.824  -1.778  14.075
  313    HA3  GLY  45           HA1      GLY  45  47.603  -0.248  13.231
  314    H    ASN  46           HN       ASN  46  44.801  -1.701  14.602
  315    HA   ASN  46           HA       ASN  46  44.879   0.228  16.849
  316    HB2  ASN  46           HB2      ASN  46  42.676   0.787  16.501
  317    HB3  ASN  46           HB1      ASN  46  43.163   0.455  14.839
  318   HD21  ASN  46          HD21      ASN  46  42.774  -1.918  14.118
  319   HD22  ASN  46          HD22      ASN  46  41.381  -2.682  14.713
  320    H    GLY  47           HN       GLY  47  45.010  -2.981  16.061
  321    HA2  GLY  47           HA2      GLY  47  43.396  -3.973  18.280
  322    HA3  GLY  47           HA1      GLY  47  44.299  -4.948  17.123
  323    H    LEU  48           HN       LEU  48  46.769  -3.447  17.439
  324    HA   LEU  48           HA       LEU  48  47.608  -4.560  20.037
  325    HB2  LEU  48           HB2      LEU  48  49.926  -4.345  19.016
  326    HB3  LEU  48           HB1      LEU  48  48.859  -5.523  18.252
  327    HG   LEU  48           HG       LEU  48  48.714  -2.758  17.183
  328   HD11  LEU  48          HD11      LEU  48  51.154  -4.525  16.949
  329   HD12  LEU  48          HD12      LEU  48  51.081  -2.809  17.353
  330   HD13  LEU  48          HD13      LEU  48  50.744  -3.344  15.706
  331   HD21  LEU  48          HD21      LEU  48  48.236  -3.889  15.171
  332   HD22  LEU  48          HD22      LEU  48  47.535  -4.947  16.396
  333   HD23  LEU  48          HD23      LEU  48  49.096  -5.343  15.679
  334    H    VAL  49           HN       VAL  49  49.941  -2.550  18.786
  335    HA   VAL  49           HA       VAL  49  50.829  -0.552  19.492
  336    HB   VAL  49           HB       VAL  49  47.901   0.213  19.656
  337   HG11  VAL  49          HG11      VAL  49  49.064   2.505  19.094
  338   HG12  VAL  49          HG12      VAL  49  50.485   1.743  19.807
  339   HG13  VAL  49          HG13      VAL  49  49.017   1.940  20.763
  340   HG21  VAL  49          HG21      VAL  49  49.932   0.125  17.427
  341   HG22  VAL  49          HG22      VAL  49  48.602   1.284  17.379
  342   HG23  VAL  49          HG23      VAL  49  48.263  -0.446  17.424
  343    H    LEU  50           HN       LEU  50  47.864  -0.280  21.373
  344    HA   LEU  50           HA       LEU  50  48.987   0.563  23.745
  345    HB2  LEU  50           HB2      LEU  50  46.560  -1.228  23.466
  346    HB3  LEU  50           HB1      LEU  50  46.925  -0.169  24.827
  347    HG   LEU  50           HG       LEU  50  46.766   0.990  22.062
  348   HD11  LEU  50          HD11      LEU  50  44.315   1.443  22.586
  349   HD12  LEU  50          HD12      LEU  50  44.448   0.209  23.839
  350   HD13  LEU  50          HD13      LEU  50  44.707  -0.219  22.147
  351   HD21  LEU  50          HD21      LEU  50  45.987   2.959  23.354
  352   HD22  LEU  50          HD22      LEU  50  47.549   2.389  23.939
  353   HD23  LEU  50          HD23      LEU  50  46.079   2.014  24.839
  354    H    TRP  51           HN       TRP  51  48.816  -2.615  22.386
  355    HA   TRP  51           HA       TRP  51  49.107  -4.360  24.451
  356    HB2  TRP  51           HB2      TRP  51  49.940  -4.286  21.680
  357    HB3  TRP  51           HB1      TRP  51  51.124  -5.145  22.667
  358    HD1  TRP  51           HD1      TRP  51  47.258  -5.031  22.884
  359    HE1  TRP  51           HE1      TRP  51  46.391  -7.460  22.911
  360    HE3  TRP  51           HE3      TRP  51  51.671  -7.553  22.387
  361    HZ2  TRP  51           HZ2      TRP  51  47.430 -10.119  22.745
  362    HZ3  TRP  51           HZ3      TRP  51  51.703 -10.029  22.324
  363    HH2  TRP  51           HH2      TRP  51  49.590 -11.314  22.502
  364    H    THR  52           HN       THR  52  51.594  -2.173  23.206
  365    HA   THR  52           HA       THR  52  53.673  -3.167  24.910
  366    HB   THR  52           HB       THR  52  53.927  -1.873  22.704
  367    HG1  THR  52           HG1      THR  52  55.583  -2.336  24.330
  368   HG21  THR  52          HG21      THR  52  53.824   0.546  24.489
  369   HG22  THR  52          HG22      THR  52  52.371  -0.021  23.667
  370   HG23  THR  52          HG23      THR  52  53.781   0.468  22.727
  371    H    VAL  53           HN       VAL  53  50.993  -2.107  26.013
  372    HA   VAL  53           HA       VAL  53  52.223  -0.548  28.187
  373    HB   VAL  53           HB       VAL  53  49.600   0.166  26.855
  374   HG11  VAL  53          HG11      VAL  53  51.159   1.312  29.182
  375   HG12  VAL  53          HG12      VAL  53  49.496   0.723  29.181
  376   HG13  VAL  53          HG13      VAL  53  49.903   2.220  28.341
  377   HG21  VAL  53          HG21      VAL  53  51.114   1.036  25.345
  378   HG22  VAL  53          HG22      VAL  53  52.411   1.125  26.536
  379   HG23  VAL  53          HG23      VAL  53  51.134   2.341  26.531
  380    H    PHE  54           HN       PHE  54  49.860  -2.801  27.033
  381    HA   PHE  54           HA       PHE  54  49.087  -3.401  29.827
  382    HB2  PHE  54           HB2      PHE  54  47.384  -3.270  27.345
  383    HB3  PHE  54           HB1      PHE  54  46.896  -4.218  28.751
  384    HD1  PHE  54           HD2      PHE  54  46.565  -3.101  30.963
  385    HD2  PHE  54           HD1      PHE  54  47.299  -0.872  27.366
  386    HE1  PHE  54           HE2      PHE  54  45.749  -1.039  32.075
  387    HE2  PHE  54           HE1      PHE  54  46.482   1.190  28.477
  388    HZ   PHE  54           HZ       PHE  54  45.708   1.106  30.831
  389    H    ARG  55           HN       ARG  55  51.241  -4.522  28.200
  390    HA   ARG  55           HA       ARG  55  50.387  -7.337  28.308
  391    HB2  ARG  55           HB2      ARG  55  50.415  -6.323  25.911
  392    HB3  ARG  55           HB1      ARG  55  52.166  -6.388  26.081
  393    HG2  ARG  55           HG2      ARG  55  51.729  -8.476  25.152
  394    HG3  ARG  55           HG1      ARG  55  51.718  -8.852  26.876
  395    HD2  ARG  55           HD2      ARG  55  49.112  -8.114  26.484
  396    HD3  ARG  55           HD1      ARG  55  49.495  -8.855  24.932
  397    HE   ARG  55           HE       ARG  55  49.201 -10.197  27.448
  398   HH11  ARG  55          HH21      ARG  55  50.810 -10.201  24.387
  399   HH12  ARG  55          HH22      ARG  55  51.069 -11.914  24.368
  400   HH21  ARG  55          HH11      ARG  55  49.534 -12.447  27.431
  401   HH22  ARG  55          HH12      ARG  55  50.347 -13.185  26.092
  402    H    LYS  56           HN       LYS  56  53.249  -5.324  27.577
  403    HA   LYS  56           HA       LYS  56  55.187  -7.100  28.500
  404    HB2  LYS  56           HB2      LYS  56  56.645  -5.120  28.721
  405    HB3  LYS  56           HB1      LYS  56  55.734  -5.090  27.210
  406    HG2  LYS  56           HG2      LYS  56  55.105  -3.003  27.826
  407    HG3  LYS  56           HG1      LYS  56  54.026  -3.810  28.965
  408    HD2  LYS  56           HD2      LYS  56  55.795  -3.752  30.686
  409    HD3  LYS  56           HD1      LYS  56  56.871  -2.938  29.549
  410    HE2  LYS  56           HE2      LYS  56  55.911  -0.936  29.944
  411    HE3  LYS  56           HE1      LYS  56  54.292  -1.598  29.722
  412    HZ1  LYS  56           HZ1      LYS  56  54.798  -2.643  32.048
  413    HZ2  LYS  56           HZ2      LYS  56  54.223  -1.050  31.918
  414    HZ3  LYS  56           HZ3      LYS  56  55.877  -1.341  32.173
  415    H    LYS  57           HN       LYS  57  53.084  -4.931  30.259
  416    HA   LYS  57           HA       LYS  57  54.360  -4.649  32.686
  417    HB2  LYS  57           HB2      LYS  57  51.416  -5.233  32.290
  418    HB3  LYS  57           HB1      LYS  57  52.147  -4.446  33.688
  419    HG2  LYS  57           HG2      LYS  57  53.005  -3.118  31.276
  420    HG3  LYS  57           HG1      LYS  57  51.243  -3.211  31.310
  421    HD2  LYS  57           HD2      LYS  57  51.245  -2.265  33.598
  422    HD3  LYS  57           HD1      LYS  57  53.003  -2.140  33.535
  423    HE2  LYS  57           HE2      LYS  57  52.577  -0.039  32.757
  424    HE3  LYS  57           HE1      LYS  57  52.329  -0.870  31.221
  425    HZ1  LYS  57           HZ1      LYS  57  50.367   0.232  31.384
  426    HZ2  LYS  57           HZ2      LYS  57  50.361   0.231  33.082
  427    HZ3  LYS  57           HZ3      LYS  57  49.935  -1.174  32.228
  428    H    GLY  58           HN       GLY  58  52.928  -7.506  31.298
  429    HA2  GLY  58           HA2      GLY  58  54.243  -9.434  32.636
  430    HA3  GLY  58           HA1      GLY  58  52.983  -9.003  33.789
  431    H    HIS  59           HN       HIS  59  53.586 -10.218  30.531
  432    HA   HIS  59           HA       HIS  59  51.073 -10.676  29.555
  433    HB2  HIS  59           HB2      HIS  59  52.272 -11.738  27.993
  434    HB3  HIS  59           HB1      HIS  59  53.681 -11.690  29.053
  435    HD2  HIS  59           HD2      HIS  59  53.649 -13.997  30.985
  436    HE1  HIS  59           HE1      HIS  59  51.517 -16.422  28.265
  437    HE2  HIS  59           HE2      HIS  59  52.898 -16.428  30.397
  438    H    HIS  60           HN       HIS  60  52.695 -12.370  32.160
  439    HA   HIS  60           HA       HIS  60  51.087 -14.645  32.368
  440    HB2  HIS  60           HB2      HIS  60  51.728 -14.605  34.794
  441    HB3  HIS  60           HB1      HIS  60  53.096 -14.443  33.691
  442    HD2  HIS  60           HD2      HIS  60  54.680 -12.280  34.328
  443    HE1  HIS  60           HE1      HIS  60  51.797 -10.003  36.407
  444    HE2  HIS  60           HE2      HIS  60  54.230 -10.095  35.684
  445    H    HIS  61           HN       HIS  61  50.542 -11.342  33.459
  446    HA   HIS  61           HA       HIS  61  48.742 -10.344  34.503
  447    HB2  HIS  61           HB2      HIS  61  47.515 -12.241  32.514
  448    HB3  HIS  61           HB1      HIS  61  46.509 -11.197  33.519
  449    HD2  HIS  61           HD2      HIS  61  47.397 -10.830  30.105
  450    HE1  HIS  61           HE1      HIS  61  48.646  -7.088  31.610
  451    HE2  HIS  61           HE2      HIS  61  48.087  -8.385  29.500
  452    H    HIS  62           HN       HIS  62  49.671 -11.733  36.417
  453    HA   HIS  62           HA       HIS  62  47.358 -12.888  37.743
  454    HB2  HIS  62           HB2      HIS  62  49.608 -14.521  36.736
  455    HB3  HIS  62           HB1      HIS  62  49.133 -14.827  38.407
  456    HD2  HIS  62           HD2      HIS  62  48.092 -16.043  35.016
  457    HE1  HIS  62           HE1      HIS  62  44.591 -16.324  37.359
  458    HE2  HIS  62           HE2      HIS  62  45.674 -17.018  35.169
  459    H    HIS  63           HN       HIS  63  47.690 -10.992  39.037
  460    HA   HIS  63           HA       HIS  63  49.612 -11.459  41.186
  461    HB2  HIS  63           HB2      HIS  63  50.188  -9.622  39.134
  462    HB3  HIS  63           HB1      HIS  63  49.670  -8.653  40.513
  463    HD2  HIS  63           HD2      HIS  63  52.481 -11.325  39.696
  464    HE1  HIS  63           HE1      HIS  63  53.534  -9.283  43.237
  465    HE2  HIS  63           HE2      HIS  63  54.316 -10.985  41.521
  466    H    HIS  64           HN       HIS  64  48.102 -11.654  42.757
  467    HA   HIS  64           HA       HIS  64  45.754 -10.000  42.880
  468    HB2  HIS  64           HB2      HIS  64  45.294 -11.160  44.964
  469    HB3  HIS  64           HB1      HIS  64  45.832 -12.329  43.758
  470    HD2  HIS  64           HD2      HIS  64  46.423 -12.365  47.231
  471    HE1  HIS  64           HE1      HIS  64  50.403 -12.485  45.828
  472    HE2  HIS  64           HE2      HIS  64  48.908 -12.876  47.844
  Start of MODEL   40
    1    H1   MET   1           HT1      MET   1  41.256  16.809   2.694
    2    H2   MET   1           HT2      MET   1  40.937  16.443   1.066
    3    H3   MET   1           HT3      MET   1  40.408  17.915   1.729
    4    HA   MET   1           HA       MET   1  42.246  18.743   0.776
    5    HB2  MET   1           HB2      MET   1  43.716  17.317   2.995
    6    HB3  MET   1           HB1      MET   1  44.007  18.932   2.348
    7    HG2  MET   1           HG2      MET   1  42.790  19.630   4.137
    8    HG3  MET   1           HG1      MET   1  41.402  19.145   3.164
    9    HE1  MET   1           HE1      MET   1  43.226  18.559   6.573
   10    HE2  MET   1           HE2      MET   1  44.222  17.904   5.275
   11    HE3  MET   1           HE3      MET   1  43.521  16.818   6.472
   12    H    GLU   2           HN       GLU   2  42.564  15.317   1.525
   13    HA   GLU   2           HA       GLU   2  43.627  13.598   0.434
   14    HB2  GLU   2           HB2      GLU   2  43.891  15.447  -1.935
   15    HB3  GLU   2           HB1      GLU   2  43.729  13.690  -1.929
   16    HG2  GLU   2           HG2      GLU   2  41.447  14.048  -0.829
   17    HG3  GLU   2           HG1      GLU   2  41.621  15.749  -1.259
   18    H    GLU   3           HN       GLU   3  45.693  12.824   0.192
   19    HA   GLU   3           HA       GLU   3  47.830  14.519   1.050
   20    HB2  GLU   3           HB2      GLU   3  47.721  11.668   0.058
   21    HB3  GLU   3           HB1      GLU   3  49.228  12.454   0.533
   22    HG2  GLU   3           HG2      GLU   3  48.737  12.314   2.739
   23    HG3  GLU   3           HG1      GLU   3  47.065  12.813   2.485
   24    H    GLY   4           HN       GLY   4  48.605  12.356  -1.525
   25    HA2  GLY   4           HA2      GLY   4  48.577  14.253  -3.667
   26    HA3  GLY   4           HA1      GLY   4  50.186  14.097  -2.968
   27    H    GLY   5           HN       GLY   5  51.453  12.490  -3.681
   28    HA2  GLY   5           HA2      GLY   5  52.161  10.667  -4.893
   29    HA3  GLY   5           HA1      GLY   5  50.684   9.888  -4.334
   30    H    ASP   6           HN       ASP   6  50.320  12.803  -6.121
   31    HA   ASP   6           HA       ASP   6  49.444  13.256  -8.196
   32    HB2  ASP   6           HB2      ASP   6  51.615  11.687  -8.658
   33    HB3  ASP   6           HB1      ASP   6  50.346  10.719  -9.405
   34    H    PHE   7           HN       PHE   7  48.390  10.889  -6.257
   35    HA   PHE   7           HA       PHE   7  46.634   9.383  -6.259
   36    HB2  PHE   7           HB2      PHE   7  44.517  10.455  -7.163
   37    HB3  PHE   7           HB1      PHE   7  45.385  11.391  -5.947
   38    HD1  PHE   7           HD1      PHE   7  46.651  13.399  -6.560
   39    HD2  PHE   7           HD2      PHE   7  44.479  11.147  -9.503
   40    HE1  PHE   7           HE1      PHE   7  46.864  15.282  -8.159
   41    HE2  PHE   7           HE2      PHE   7  44.692  13.030 -11.102
   42    HZ   PHE   7           HZ       PHE   7  45.885  15.098 -10.430
   43    H    ASP   8           HN       ASP   8  48.485   8.988  -8.403
   44    HA   ASP   8           HA       ASP   8  46.696   7.587 -10.268
   45    HB2  ASP   8           HB2      ASP   8  47.631   9.901 -11.120
   46    HB3  ASP   8           HB1      ASP   8  49.100   8.966 -11.390
   47    H    ASN   9           HN       ASN   9  47.984   6.367  -8.197
   48    HA   ASN   9           HA       ASN   9  49.669   4.489  -9.589
   49    HB2  ASN   9           HB2      ASN   9  50.849   6.591  -7.889
   50    HB3  ASN   9           HB1      ASN   9  51.387   4.952  -7.526
   51   HD21  ASN   9          HD21      ASN   9  51.611   3.691  -9.917
   52   HD22  ASN   9          HD22      ASN   9  52.639   4.531 -10.975
   53    H    TYR  10           HN       TYR  10  49.579   5.447  -6.165
   54    HA   TYR  10           HA       TYR  10  47.947   3.094  -5.535
   55    HB2  TYR  10           HB2      TYR  10  50.600   2.757  -5.417
   56    HB3  TYR  10           HB1      TYR  10  50.353   3.490  -3.833
   57    HD1  TYR  10           HD1      TYR  10  49.357   0.673  -6.036
   58    HD2  TYR  10           HD2      TYR  10  49.241   2.312  -2.066
   59    HE1  TYR  10           HE1      TYR  10  48.493  -1.486  -5.169
   60    HE2  TYR  10           HE2      TYR  10  48.378   0.154  -1.201
   61    HH   TYR  10           HH       TYR  10  48.383  -2.713  -3.079
   62    H    TYR  11           HN       TYR  11  47.723   6.086  -5.444
   63    HA   TYR  11           HA       TYR  11  47.157   7.786  -3.969
   64    HB2  TYR  11           HB2      TYR  11  45.313   6.986  -2.390
   65    HB3  TYR  11           HB1      TYR  11  45.044   6.730  -4.113
   66    HD1  TYR  11           HD1      TYR  11  45.274   4.485  -5.109
   67    HD2  TYR  11           HD2      TYR  11  45.723   5.127  -0.885
   68    HE1  TYR  11           HE1      TYR  11  45.056   2.046  -4.714
   69    HE2  TYR  11           HE2      TYR  11  45.504   2.690  -0.491
   70    HH   TYR  11           HH       TYR  11  45.628   0.638  -1.556
   71    H    GLY  12           HN       GLY  12  49.619   6.671  -3.235
   72    HA2  GLY  12           HA2      GLY  12  49.926   7.619  -0.611
   73    HA3  GLY  12           HA1      GLY  12  49.807   5.864  -0.541
   74    H    ALA  13           HN       ALA  13  51.251   4.709  -2.197
   75    HA   ALA  13           HA       ALA  13  53.588   5.972  -3.187
   76    HB1  ALA  13           HB1      ALA  13  55.173   4.796  -1.547
   77    HB2  ALA  13           HB2      ALA  13  53.775   4.657  -0.480
   78    HB3  ALA  13           HB3      ALA  13  54.358   6.248  -0.969
   79    H    ASP  14           HN       ASP  14  54.031   2.979  -1.506
   80    HA   ASP  14           HA       ASP  14  54.126   0.786  -2.207
   81    HB2  ASP  14           HB2      ASP  14  51.918   1.725  -3.498
   82    HB3  ASP  14           HB1      ASP  14  52.931   1.253  -4.862
   83    H    ASN  15           HN       ASN  15  56.022   3.016  -2.996
   84    HA   ASN  15           HA       ASN  15  57.749   1.402  -4.629
   85    HB2  ASN  15           HB2      ASN  15  56.112   2.554  -6.254
   86    HB3  ASN  15           HB1      ASN  15  56.963   4.041  -5.843
   87   HD21  ASN  15          HD21      ASN  15  56.912   2.144  -8.357
   88   HD22  ASN  15          HD22      ASN  15  58.561   1.969  -8.720
   89    H    GLN  16           HN       GLN  16  58.589   1.958  -2.344
   90    HA   GLN  16           HA       GLN  16  59.621   4.580  -1.873
   91    HB2  GLN  16           HB2      GLN  16  60.932   3.439  -0.067
   92    HB3  GLN  16           HB1      GLN  16  59.198   3.122   0.005
   93    HG2  GLN  16           HG2      GLN  16  60.387   1.171  -1.713
   94    HG3  GLN  16           HG1      GLN  16  61.323   1.230  -0.221
   95   HE21  GLN  16          HE21      GLN  16  58.516  -0.088  -1.620
   96   HE22  GLN  16          HE22      GLN  16  57.731  -0.548  -0.187
   97    H    SER  17           HN       SER  17  60.680   1.891  -3.732
   98    HA   SER  17           HA       SER  17  62.701   3.171  -5.086
   99    HB2  SER  17           HB2      SER  17  63.576   2.156  -2.436
  100    HB3  SER  17           HB1      SER  17  64.648   1.845  -3.798
  101    HG   SER  17           HG       SER  17  64.516   4.033  -2.460
  102    H    GLU  18           HN       GLU  18  61.431   0.242  -3.722
  103    HA   GLU  18           HA       GLU  18  62.772  -1.412  -5.741
  104    HB2  GLU  18           HB2      GLU  18  61.747  -1.856  -3.087
  105    HB3  GLU  18           HB1      GLU  18  60.986  -2.976  -4.217
  106    HG2  GLU  18           HG2      GLU  18  63.215  -3.624  -5.070
  107    HG3  GLU  18           HG1      GLU  18  63.969  -2.523  -3.917
  108    H    CYS  19           HN       CYS  19  61.750  -2.265  -7.470
  109    HA   CYS  19           HA       CYS  19  59.032  -2.818  -7.742
  110    HB2  CYS  19           HB2      CYS  19  58.610  -0.808  -9.408
  111    HB3  CYS  19           HB1      CYS  19  58.308  -0.625  -7.680
  112    HG   CYS  19           HG       CYS  19  59.835   1.351  -8.146
  113    H    GLU  20           HN       GLU  20  60.520  -4.502  -8.618
  114    HA   GLU  20           HA       GLU  20  61.879  -4.069 -11.089
  115    HB2  GLU  20           HB2      GLU  20  62.157  -5.966  -9.305
  116    HB3  GLU  20           HB1      GLU  20  60.882  -6.761 -10.225
  117    HG2  GLU  20           HG2      GLU  20  62.230  -6.506 -12.290
  118    HG3  GLU  20           HG1      GLU  20  63.513  -5.753 -11.345
  119    H    TYR  21           HN       TYR  21  58.771  -3.674 -10.563
  120    HA   TYR  21           HA       TYR  21  56.919  -3.618 -11.920
  121    HB2  TYR  21           HB2      TYR  21  58.528  -4.721 -14.201
  122    HB3  TYR  21           HB1      TYR  21  57.221  -3.537 -14.229
  123    HD1  TYR  21           HD1      TYR  21  57.852  -1.512 -12.372
  124    HD2  TYR  21           HD2      TYR  21  60.566  -3.761 -14.827
  125    HE1  TYR  21           HE1      TYR  21  59.507   0.331 -12.232
  126    HE2  TYR  21           HE2      TYR  21  62.220  -1.919 -14.687
  127    HH   TYR  21           HH       TYR  21  62.690  -0.001 -12.971
  128    H    THR  22           HN       THR  22  55.827  -5.252 -10.838
  129    HA   THR  22           HA       THR  22  54.876  -7.324 -10.501
  130    HB   THR  22           HB       THR  22  55.340  -7.959 -13.390
  131    HG1  THR  22           HG1      THR  22  53.189  -6.371 -12.949
  132   HG21  THR  22          HG21      THR  22  53.032  -8.759 -13.206
  133   HG22  THR  22          HG22      THR  22  52.922  -8.115 -11.568
  134   HG23  THR  22          HG23      THR  22  54.016  -9.453 -11.918
  135    H    ASP  23           HN       ASP  23  57.872  -7.044 -10.394
  136    HA   ASP  23           HA       ASP  23  58.444  -9.932 -10.540
  137    HB2  ASP  23           HB2      ASP  23  59.793  -7.771 -12.027
  138    HB3  ASP  23           HB1      ASP  23  60.871  -8.889 -11.193
  139    H    TRP  24           HN       TRP  24  57.946  -7.637  -8.506
  140    HA   TRP  24           HA       TRP  24  60.195  -8.376  -6.740
  141    HB2  TRP  24           HB2      TRP  24  60.095  -6.098  -5.766
  142    HB3  TRP  24           HB1      TRP  24  60.566  -6.079  -7.465
  143    HD1  TRP  24           HD1      TRP  24  58.461  -5.624  -9.238
  144    HE1  TRP  24           HE1      TRP  24  56.494  -3.977  -8.979
  145    HE3  TRP  24           HE3      TRP  24  58.574  -4.899  -4.183
  146    HZ2  TRP  24           HZ2      TRP  24  55.147  -2.541  -6.905
  147    HZ3  TRP  24           HZ3      TRP  24  56.939  -3.388  -3.094
  148    HH2  TRP  24           HH2      TRP  24  55.227  -2.210  -4.447
  149    H    LYS  25           HN       LYS  25  56.971  -8.583  -7.296
  150    HA   LYS  25           HA       LYS  25  56.433  -9.315  -4.545
  151    HB2  LYS  25           HB2      LYS  25  54.615  -7.835  -4.148
  152    HB3  LYS  25           HB1      LYS  25  55.945  -6.827  -4.709
  153    HG2  LYS  25           HG2      LYS  25  53.595  -7.790  -6.383
  154    HG3  LYS  25           HG1      LYS  25  53.884  -6.149  -5.823
  155    HD2  LYS  25           HD2      LYS  25  56.181  -6.426  -7.068
  156    HD3  LYS  25           HD1      LYS  25  55.330  -7.697  -7.946
  157    HE2  LYS  25           HE2      LYS  25  54.372  -4.830  -7.668
  158    HE3  LYS  25           HE1      LYS  25  55.151  -5.503  -9.097
  159    HZ1  LYS  25           HZ1      LYS  25  52.887  -5.685  -9.529
  160    HZ2  LYS  25           HZ2      LYS  25  52.518  -6.184  -7.947
  161    HZ3  LYS  25           HZ3      LYS  25  53.318  -7.241  -9.010
  162    H    SER  26           HN       SER  26  56.484 -10.341  -7.420
  163    HA   SER  26           HA       SER  26  53.753 -11.480  -7.478
  164    HB2  SER  26           HB2      SER  26  54.174 -11.897  -9.881
  165    HB3  SER  26           HB1      SER  26  54.274 -10.184  -9.483
  166    HG   SER  26           HG       SER  26  56.581 -11.779  -9.360
  167    H    SER  27           HN       SER  27  55.981 -12.931  -9.562
  168    HA   SER  27           HA       SER  27  56.991 -14.996  -9.601
  169    HB2  SER  27           HB2      SER  27  57.697 -13.861  -7.112
  170    HB3  SER  27           HB1      SER  27  57.233 -15.527  -6.779
  171    HG   SER  27           HG       SER  27  58.755 -16.230  -8.204
  172    H    GLY  28           HN       GLY  28  55.185 -15.109  -6.539
  173    HA2  GLY  28           HA2      GLY  28  53.290 -17.017  -7.711
  174    HA3  GLY  28           HA1      GLY  28  54.234 -17.549  -6.320
  175    H    ALA  29           HN       ALA  29  53.653 -14.228  -6.288
  176    HA   ALA  29           HA       ALA  29  52.261 -12.856  -5.088
  177    HB1  ALA  29           HB1      ALA  29  50.502 -14.403  -6.266
  178    HB2  ALA  29           HB2      ALA  29  50.006 -13.381  -4.919
  179    HB3  ALA  29           HB3      ALA  29  50.317 -15.096  -4.655
  180    H    LEU  30           HN       LEU  30  54.357 -14.075  -3.823
  181    HA   LEU  30           HA       LEU  30  53.462 -15.268  -1.341
  182    HB2  LEU  30           HB2      LEU  30  56.165 -14.476  -2.430
  183    HB3  LEU  30           HB1      LEU  30  55.959 -15.061  -0.783
  184    HG   LEU  30           HG       LEU  30  56.593 -16.870  -2.388
  185   HD11  LEU  30          HD11      LEU  30  54.736 -16.982  -0.365
  186   HD12  LEU  30          HD12      LEU  30  55.365 -18.385  -1.225
  187   HD13  LEU  30          HD13      LEU  30  53.835 -17.663  -1.717
  188   HD21  LEU  30          HD21      LEU  30  55.206 -17.500  -4.184
  189   HD22  LEU  30          HD22      LEU  30  55.190 -15.739  -4.260
  190   HD23  LEU  30          HD23      LEU  30  53.825 -16.605  -3.552
  191    H    ILE  31           HN       ILE  31  54.883 -12.202  -2.413
  192    HA   ILE  31           HA       ILE  31  55.014 -11.061   0.189
  193    HB   ILE  31           HB       ILE  31  55.423 -10.112  -2.587
  194   HG12  ILE  31          HG12      ILE  31  57.475  -9.256  -1.576
  195   HG13  ILE  31          HG11      ILE  31  56.859  -9.621   0.037
  196   HG21  ILE  31          HG21      ILE  31  54.659  -8.283  -0.292
  197   HG22  ILE  31          HG22      ILE  31  53.960  -8.327  -1.912
  198   HG23  ILE  31          HG23      ILE  31  55.600  -7.734  -1.676
  199   HD11  ILE  31          HD11      ILE  31  56.899 -11.853  -1.940
  200   HD12  ILE  31          HD12      ILE  31  57.183 -11.888  -0.200
  201   HD13  ILE  31          HD13      ILE  31  58.450 -11.325  -1.290
  202    HA   PRO  32           HA       PRO  32  50.920  -8.832  -0.856
  203    HB2  PRO  32           HB2      PRO  32  49.364  -9.760  -2.894
  204    HB3  PRO  32           HB1      PRO  32  50.616  -8.525  -3.121
  205    HG2  PRO  32           HG2      PRO  32  50.699 -11.436  -3.721
  206    HG3  PRO  32           HG1      PRO  32  51.358 -10.072  -4.641
  207    HD2  PRO  32           HD2      PRO  32  52.883 -11.687  -3.037
  208    HD3  PRO  32           HD1      PRO  32  53.291  -9.999  -3.400
  209    H    ALA  33           HN       ALA  33  51.591 -11.484   0.353
  210    HA   ALA  33           HA       ALA  33  48.829 -12.334   0.930
  211    HB1  ALA  33           HB1      ALA  33  49.167 -14.359   0.036
  212    HB2  ALA  33           HB2      ALA  33  50.524 -14.609   1.135
  213    HB3  ALA  33           HB3      ALA  33  50.794 -13.882  -0.450
  214    H    ILE  34           HN       ILE  34  51.541 -11.012   2.099
  215    HA   ILE  34           HA       ILE  34  51.013 -12.021   4.809
  216    HB   ILE  34           HB       ILE  34  53.807 -11.498   4.595
  217   HG12  ILE  34          HG12      ILE  34  52.753 -13.508   2.576
  218   HG13  ILE  34          HG11      ILE  34  53.518 -11.969   2.176
  219   HG21  ILE  34          HG21      ILE  34  52.309 -14.118   4.906
  220   HG22  ILE  34          HG22      ILE  34  52.616 -12.980   6.218
  221   HG23  ILE  34          HG23      ILE  34  53.964 -13.790   5.420
  222   HD11  ILE  34          HD11      ILE  34  55.192 -13.718   2.015
  223   HD12  ILE  34          HD12      ILE  34  54.794 -14.302   3.630
  224   HD13  ILE  34          HD13      ILE  34  55.557 -12.725   3.426
  225    H    TYR  35           HN       TYR  35  52.482  -9.576   2.728
  226    HA   TYR  35           HA       TYR  35  52.807  -7.687   4.901
  227    HB2  TYR  35           HB2      TYR  35  53.271  -7.605   1.930
  228    HB3  TYR  35           HB1      TYR  35  53.316  -6.128   2.893
  229    HD1  TYR  35           HD2      TYR  35  54.862  -6.055   4.934
  230    HD2  TYR  35           HD1      TYR  35  55.118  -9.082   1.897
  231    HE1  TYR  35           HE2      TYR  35  57.165  -6.603   5.673
  232    HE2  TYR  35           HE1      TYR  35  57.421  -9.629   2.636
  233    HH   TYR  35           HH       TYR  35  58.842  -8.104   5.499
  234    H    MET  36           HN       MET  36  50.104  -8.772   4.179
  235    HA   MET  36           HA       MET  36  48.757  -6.161   3.959
  236    HB2  MET  36           HB2      MET  36  47.809  -8.639   2.509
  237    HB3  MET  36           HB1      MET  36  47.133  -7.013   2.404
  238    HG2  MET  36           HG2      MET  36  49.935  -7.802   1.548
  239    HG3  MET  36           HG1      MET  36  48.578  -7.518   0.456
  240    HE1  MET  36           HE1      MET  36  51.730  -5.832   1.179
  241    HE2  MET  36           HE2      MET  36  51.149  -4.578   0.087
  242    HE3  MET  36           HE3      MET  36  50.847  -6.271  -0.289
  243    H    LEU  37           HN       LEU  37  48.232  -9.643   4.543
  244    HA   LEU  37           HA       LEU  37  45.914  -9.257   6.155
  245    HB2  LEU  37           HB2      LEU  37  47.749 -11.649   6.270
  246    HB3  LEU  37           HB1      LEU  37  46.012 -11.590   6.572
  247    HG   LEU  37           HG       LEU  37  47.385 -11.127   3.907
  248   HD11  LEU  37          HD11      LEU  37  45.356 -13.172   3.954
  249   HD12  LEU  37          HD12      LEU  37  46.535 -13.490   5.227
  250   HD13  LEU  37          HD13      LEU  37  47.066 -13.328   3.553
  251   HD21  LEU  37          HD21      LEU  37  44.878 -11.205   3.175
  252   HD22  LEU  37          HD22      LEU  37  45.511  -9.705   3.853
  253   HD23  LEU  37          HD23      LEU  37  44.545 -10.786   4.855
  254    H    VAL  38           HN       VAL  38  48.828  -8.121   6.779
  255    HA   VAL  38           HA       VAL  38  48.494  -8.422   9.686
  256    HB   VAL  38           HB       VAL  38  51.224  -8.572   8.416
  257   HG11  VAL  38          HG11      VAL  38  50.970  -7.937  10.828
  258   HG12  VAL  38          HG12      VAL  38  51.851  -9.448  10.597
  259   HG13  VAL  38          HG13      VAL  38  50.163  -9.479  11.108
  260   HG21  VAL  38          HG21      VAL  38  51.005 -11.070   8.960
  261   HG22  VAL  38          HG22      VAL  38  50.126 -10.503   7.540
  262   HG23  VAL  38          HG23      VAL  38  49.266 -10.790   9.054
  263    H    PHE  39           HN       PHE  39  50.444  -6.820   7.158
  264    HA   PHE  39           HA       PHE  39  51.395  -4.635   8.465
  265    HB2  PHE  39           HB2      PHE  39  51.235  -5.332   5.851
  266    HB3  PHE  39           HB1      PHE  39  50.097  -3.984   5.887
  267    HD1  PHE  39           HD1      PHE  39  53.548  -4.953   6.966
  268    HD2  PHE  39           HD2      PHE  39  50.882  -1.770   5.863
  269    HE1  PHE  39           HE1      PHE  39  55.442  -3.353   7.009
  270    HE2  PHE  39           HE2      PHE  39  52.776  -0.169   5.906
  271    HZ   PHE  39           HZ       PHE  39  55.056  -0.961   6.479
  272    H    LEU  40           HN       LEU  40  48.174  -4.788   6.931
  273    HA   LEU  40           HA       LEU  40  47.347  -2.488   8.583
  274    HB2  LEU  40           HB2      LEU  40  46.288  -3.646   6.005
  275    HB3  LEU  40           HB1      LEU  40  45.368  -2.483   6.962
  276    HG   LEU  40           HG       LEU  40  48.185  -1.735   6.488
  277   HD11  LEU  40          HD11      LEU  40  46.178  -1.979   4.233
  278   HD12  LEU  40          HD12      LEU  40  47.801  -2.666   4.307
  279   HD13  LEU  40          HD13      LEU  40  47.587  -0.921   4.154
  280   HD21  LEU  40          HD21      LEU  40  47.189   0.452   6.209
  281   HD22  LEU  40          HD22      LEU  40  46.387  -0.327   7.573
  282   HD23  LEU  40          HD23      LEU  40  45.585  -0.250   6.005
  283    H    LEU  41           HN       LEU  41  47.569  -4.868   9.942
  284    HA   LEU  41           HA       LEU  41  44.882  -5.222  10.896
  285    HB2  LEU  41           HB2      LEU  41  44.851  -6.736   8.941
  286    HB3  LEU  41           HB1      LEU  41  46.262  -7.578   9.576
  287    HG   LEU  41           HG       LEU  41  44.974  -8.201  11.601
  288   HD11  LEU  41          HD11      LEU  41  43.326  -6.614  11.971
  289   HD12  LEU  41          HD12      LEU  41  42.369  -7.866  11.180
  290   HD13  LEU  41          HD13      LEU  41  42.931  -6.472  10.257
  291   HD21  LEU  41          HD21      LEU  41  43.027  -9.228   9.781
  292   HD22  LEU  41          HD22      LEU  41  44.449 -10.047  10.429
  293   HD23  LEU  41          HD23      LEU  41  44.566  -9.130   8.926
  294    H    GLY  42           HN       GLY  42  48.044  -6.885  10.804
  295    HA2  GLY  42           HA2      GLY  42  47.907  -7.721  13.536
  296    HA3  GLY  42           HA1      GLY  42  49.330  -7.780  12.500
  297    H    THR  43           HN       THR  43  47.817  -4.723  12.664
  298    HA   THR  43           HA       THR  43  49.103  -3.715  15.009
  299    HB   THR  43           HB       THR  43  51.177  -3.608  14.052
  300    HG1  THR  43           HG1      THR  43  50.809  -1.518  12.487
  301   HG21  THR  43          HG21      THR  43  50.880  -4.786  12.053
  302   HG22  THR  43          HG22      THR  43  51.349  -3.188  11.474
  303   HG23  THR  43          HG23      THR  43  49.652  -3.667  11.463
  304    H    THR  44           HN       THR  44  48.917  -2.042  11.909
  305    HA   THR  44           HA       THR  44  47.707  -0.202  11.252
  306    HB   THR  44           HB       THR  44  45.433  -0.524  11.211
  307    HG1  THR  44           HG1      THR  44  44.726  -1.867  13.310
  308   HG21  THR  44          HG21      THR  44  45.038  -2.798  10.929
  309   HG22  THR  44          HG22      THR  44  45.995  -3.244  12.341
  310   HG23  THR  44          HG23      THR  44  46.799  -2.747  10.852
  311    H    GLY  45           HN       GLY  45  48.825  -0.544  14.235
  312    HA2  GLY  45           HA2      GLY  45  49.319   1.100  15.806
  313    HA3  GLY  45           HA1      GLY  45  48.228   2.196  14.962
  314    H    ASN  46           HN       ASN  46  47.066  -0.953  15.763
  315    HA   ASN  46           HA       ASN  46  45.661   0.090  18.140
  316    HB2  ASN  46           HB2      ASN  46  44.375  -1.517  15.921
  317    HB3  ASN  46           HB1      ASN  46  43.584  -0.946  17.389
  318   HD21  ASN  46          HD21      ASN  46  45.213   0.234  14.416
  319   HD22  ASN  46          HD22      ASN  46  44.411   1.730  14.390
  320    H    GLY  47           HN       GLY  47  47.872  -1.972  17.218
  321    HA2  GLY  47           HA2      GLY  47  46.952  -4.101  19.054
  322    HA3  GLY  47           HA1      GLY  47  47.734  -4.497  17.527
  323    H    LEU  48           HN       LEU  48  48.856  -1.656  19.077
  324    HA   LEU  48           HA       LEU  48  50.893  -2.927  20.680
  325    HB2  LEU  48           HB2      LEU  48  52.789  -1.996  19.350
  326    HB3  LEU  48           HB1      LEU  48  51.908  -3.268  18.504
  327    HG   LEU  48           HG       LEU  48  50.682  -0.709  17.973
  328   HD11  LEU  48          HD11      LEU  48  52.952   0.173  18.447
  329   HD12  LEU  48          HD12      LEU  48  52.535   0.334  16.741
  330   HD13  LEU  48          HD13      LEU  48  53.623  -0.951  17.264
  331   HD21  LEU  48          HD21      LEU  48  52.224  -2.580  16.150
  332   HD22  LEU  48          HD22      LEU  48  50.977  -1.427  15.674
  333   HD23  LEU  48          HD23      LEU  48  50.549  -2.841  16.638
  334    H    VAL  49           HN       VAL  49  48.750  -0.759  20.647
  335    HA   VAL  49           HA       VAL  49  50.419   1.322  21.906
  336    HB   VAL  49           HB       VAL  49  47.979   2.026  20.290
  337   HG11  VAL  49          HG11      VAL  49  48.605   4.182  20.700
  338   HG12  VAL  49          HG12      VAL  49  50.324   3.813  20.563
  339   HG13  VAL  49          HG13      VAL  49  49.464   3.464  22.062
  340   HG21  VAL  49          HG21      VAL  49  49.286   1.076  18.590
  341   HG22  VAL  49          HG22      VAL  49  50.801   1.519  19.375
  342   HG23  VAL  49          HG23      VAL  49  49.828   2.754  18.578
  343    H    LEU  50           HN       LEU  50  47.066   0.209  21.411
  344    HA   LEU  50           HA       LEU  50  46.419   1.097  24.143
  345    HB2  LEU  50           HB2      LEU  50  44.070   0.821  23.457
  346    HB3  LEU  50           HB1      LEU  50  44.933   1.898  22.358
  347    HG   LEU  50           HG       LEU  50  45.376  -0.589  21.237
  348   HD11  LEU  50          HD11      LEU  50  42.461  -0.479  22.045
  349   HD12  LEU  50          HD12      LEU  50  43.654  -1.450  22.908
  350   HD13  LEU  50          HD13      LEU  50  43.302  -1.787  21.214
  351   HD21  LEU  50          HD21      LEU  50  44.831   1.366  19.940
  352   HD22  LEU  50          HD22      LEU  50  43.249   1.505  20.707
  353   HD23  LEU  50          HD23      LEU  50  43.580   0.169  19.604
  354    H    TRP  51           HN       TRP  51  47.059  -1.696  22.275
  355    HA   TRP  51           HA       TRP  51  45.614  -3.515  24.030
  356    HB2  TRP  51           HB2      TRP  51  45.618  -4.655  22.090
  357    HB3  TRP  51           HB1      TRP  51  46.912  -3.662  21.421
  358    HD1  TRP  51           HD1      TRP  51  49.425  -4.422  21.884
  359    HE1  TRP  51           HE1      TRP  51  50.431  -6.707  22.529
  360    HE3  TRP  51           HE3      TRP  51  45.201  -6.845  23.423
  361    HZ2  TRP  51           HZ2      TRP  51  49.560  -9.227  23.562
  362    HZ3  TRP  51           HZ3      TRP  51  45.318  -9.184  24.231
  363    HH2  TRP  51           HH2      TRP  51  47.491 -10.377  24.302
  364    H    THR  52           HN       THR  52  48.595  -1.936  24.020
  365    HA   THR  52           HA       THR  52  50.081  -4.027  25.385
  366    HB   THR  52           HB       THR  52  51.092  -2.291  23.806
  367    HG1  THR  52           HG1      THR  52  52.886  -1.972  25.373
  368   HG21  THR  52          HG21      THR  52  51.071  -0.517  26.240
  369   HG22  THR  52          HG22      THR  52  49.784  -0.422  25.039
  370   HG23  THR  52          HG23      THR  52  51.453  -0.093  24.572
  371    H    VAL  53           HN       VAL  53  48.151  -1.241  26.184
  372    HA   VAL  53           HA       VAL  53  49.094  -0.867  28.846
  373    HB   VAL  53           HB       VAL  53  46.310  -0.215  27.894
  374   HG11  VAL  53          HG11      VAL  53  48.193   1.355  29.664
  375   HG12  VAL  53          HG12      VAL  53  47.106   0.125  30.307
  376   HG13  VAL  53          HG13      VAL  53  46.449   1.546  29.496
  377   HG21  VAL  53          HG21      VAL  53  47.420   1.997  27.184
  378   HG22  VAL  53          HG22      VAL  53  47.661   0.614  26.117
  379   HG23  VAL  53          HG23      VAL  53  48.944   1.109  27.222
  380    H    PHE  54           HN       PHE  54  46.928  -3.122  27.364
  381    HA   PHE  54           HA       PHE  54  45.843  -3.958  29.964
  382    HB2  PHE  54           HB2      PHE  54  44.887  -4.002  27.238
  383    HB3  PHE  54           HB1      PHE  54  44.836  -5.620  27.935
  384    HD1  PHE  54           HD1      PHE  54  44.293  -2.145  29.256
  385    HD2  PHE  54           HD2      PHE  54  42.746  -6.132  28.841
  386    HE1  PHE  54           HE1      PHE  54  42.292  -1.507  30.575
  387    HE2  PHE  54           HE2      PHE  54  40.747  -5.493  30.159
  388    HZ   PHE  54           HZ       PHE  54  40.519  -3.182  31.025
  389    H    ARG  55           HN       ARG  55  48.648  -4.430  28.697
  390    HA   ARG  55           HA       ARG  55  48.747  -7.288  29.414
  391    HB2  ARG  55           HB2      ARG  55  48.823  -7.339  27.030
  392    HB3  ARG  55           HB1      ARG  55  49.954  -5.985  26.972
  393    HG2  ARG  55           HG2      ARG  55  51.759  -7.286  27.555
  394    HG3  ARG  55           HG1      ARG  55  50.787  -8.380  28.539
  395    HD2  ARG  55           HD2      ARG  55  50.374  -8.318  25.569
  396    HD3  ARG  55           HD1      ARG  55  51.745  -9.203  26.231
  397    HE   ARG  55           HE       ARG  55  49.211  -9.825  27.492
  398   HH11  ARG  55          HH21      ARG  55  51.438 -10.501  24.932
  399   HH12  ARG  55          HH22      ARG  55  50.882 -12.123  24.691
  400   HH21  ARG  55          HH11      ARG  55  48.476 -11.951  27.181
  401   HH22  ARG  55          HH12      ARG  55  49.204 -12.945  25.964
  402    H    LYS  56           HN       LYS  56  50.630  -4.339  28.771
  403    HA   LYS  56           HA       LYS  56  53.017  -5.134  30.009
  404    HB2  LYS  56           HB2      LYS  56  53.503  -2.722  30.191
  405    HB3  LYS  56           HB1      LYS  56  52.859  -3.133  28.602
  406    HG2  LYS  56           HG2      LYS  56  51.359  -1.475  28.962
  407    HG3  LYS  56           HG1      LYS  56  50.572  -2.606  30.063
  408    HD2  LYS  56           HD2      LYS  56  52.026  -1.747  31.910
  409    HD3  LYS  56           HD1      LYS  56  52.668  -0.540  30.794
  410    HE2  LYS  56           HE2      LYS  56  50.488   0.460  30.514
  411    HE3  LYS  56           HE1      LYS  56  49.718  -0.844  31.416
  412    HZ1  LYS  56           HZ1      LYS  56  50.951  -0.177  33.377
  413    HZ2  LYS  56           HZ2      LYS  56  50.030   1.123  32.784
  414    HZ3  LYS  56           HZ3      LYS  56  51.706   1.071  32.511
  415    H    LYS  57           HN       LYS  57  50.008  -4.794  31.386
  416    HA   LYS  57           HA       LYS  57  51.059  -3.976  34.013
  417    HB2  LYS  57           HB2      LYS  57  48.682  -3.792  34.661
  418    HB3  LYS  57           HB1      LYS  57  49.052  -2.800  33.250
  419    HG2  LYS  57           HG2      LYS  57  47.394  -3.857  32.155
  420    HG3  LYS  57           HG1      LYS  57  48.363  -5.330  32.226
  421    HD2  LYS  57           HD2      LYS  57  46.215  -5.826  33.212
  422    HD3  LYS  57           HD1      LYS  57  47.397  -5.756  34.519
  423    HE2  LYS  57           HE2      LYS  57  46.104  -4.206  35.517
  424    HE3  LYS  57           HE1      LYS  57  46.483  -3.112  34.187
  425    HZ1  LYS  57           HZ1      LYS  57  44.376  -3.230  33.571
  426    HZ2  LYS  57           HZ2      LYS  57  44.033  -4.358  34.794
  427    HZ3  LYS  57           HZ3      LYS  57  44.556  -4.889  33.268
  428    H    GLY  58           HN       GLY  58  50.347  -6.737  32.223
  429    HA2  GLY  58           HA2      GLY  58  50.961  -8.524  34.316
  430    HA3  GLY  58           HA1      GLY  58  49.213  -8.480  34.107
  431    H    HIS  59           HN       HIS  59  52.274  -9.264  32.575
  432    HA   HIS  59           HA       HIS  59  51.357 -10.086  30.059
  433    HB2  HIS  59           HB2      HIS  59  53.766 -10.443  31.677
  434    HB3  HIS  59           HB1      HIS  59  53.426 -11.827  30.638
  435    HD2  HIS  59           HD2      HIS  59  52.829  -8.022  29.643
  436    HE1  HIS  59           HE1      HIS  59  55.539  -9.753  26.909
  437    HE2  HIS  59           HE2      HIS  59  54.213  -7.659  27.460
  438    H    HIS  60           HN       HIS  60  50.813 -11.440  33.140
  439    HA   HIS  60           HA       HIS  60  50.601 -14.180  32.559
  440    HB2  HIS  60           HB2      HIS  60  48.958 -12.556  34.516
  441    HB3  HIS  60           HB1      HIS  60  49.169 -14.307  34.538
  442    HD2  HIS  60           HD2      HIS  60  51.403 -11.081  35.122
  443    HE1  HIS  60           HE1      HIS  60  53.366 -14.423  36.796
  444    HE2  HIS  60           HE2      HIS  60  53.446 -11.900  36.528
  445    H    HIS  61           HN       HIS  61  47.573 -13.352  33.657
  446    HA   HIS  61           HA       HIS  61  46.357 -13.368  30.975
  447    HB2  HIS  61           HB2      HIS  61  46.522 -15.711  32.053
  448    HB3  HIS  61           HB1      HIS  61  45.283 -15.131  33.166
  449    HD2  HIS  61           HD2      HIS  61  43.254 -13.597  31.166
  450    HE1  HIS  61           HE1      HIS  61  43.338 -17.096  28.806
  451    HE2  HIS  61           HE2      HIS  61  42.070 -14.945  29.270
  452    H    HIS  62           HN       HIS  62  45.789 -11.191  31.312
  453    HA   HIS  62           HA       HIS  62  43.504 -10.842  33.138
  454    HB2  HIS  62           HB2      HIS  62  46.064  -9.668  33.509
  455    HB3  HIS  62           HB1      HIS  62  44.967  -8.386  32.994
  456    HD2  HIS  62           HD2      HIS  62  45.119 -11.102  35.892
  457    HE1  HIS  62           HE1      HIS  62  42.507  -7.995  37.053
  458    HE2  HIS  62           HE2      HIS  62  43.627 -10.144  37.810
  459    H    HIS  63           HN       HIS  63  41.939 -10.682  31.611
  460    HA   HIS  63           HA       HIS  63  42.173  -8.456  29.694
  461    HB2  HIS  63           HB2      HIS  63  42.476 -10.928  28.781
  462    HB3  HIS  63           HB1      HIS  63  40.715 -10.927  28.876
  463    HD2  HIS  63           HD2      HIS  63  43.157  -8.056  27.547
  464    HE1  HIS  63           HE1      HIS  63  40.162  -8.798  24.666
  465    HE2  HIS  63           HE2      HIS  63  42.180  -7.365  25.226
  466    H    HIS  64           HN       HIS  64  39.587  -9.323  28.585
  467    HA   HIS  64           HA       HIS  64  37.422  -8.532  28.836
  468    HB2  HIS  64           HB2      HIS  64  37.389 -10.807  29.864
  469    HB3  HIS  64           HB1      HIS  64  37.683 -10.061  31.434
  470    HD2  HIS  64           HD2      HIS  64  35.061  -8.800  28.716
  471    HE1  HIS  64           HE1      HIS  64  33.028  -9.629  32.322
  472    HE2  HIS  64           HE2      HIS  64  32.768  -8.727  29.962