*HEADER    SIGNALING PROTEIN, MEMBRANE PROTEIN     13-AUG-01   1JRF              
*TITLE     NMR SOLUTION STRUCTURE OF THE VIRAL RECEPTOR DOMAIN OF TVA            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SUBGROUP A ROUS SARCOMA VIRUS RECEPTORS PG800              
*COMPND   3 AND PG950;                                                           
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: LDL-A DOMAIN;                                              
*COMPND   6 SYNONYM: TVA LDL-A MODULE; LOW DENSITY LIPOPROTEIN                   
*COMPND   7 RECEPTOR-RELATED PROTEIN;                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: COTURNIX JAPONICA;                              
*SOURCE   3 ORGANISM_COMMON: JAPANESE QUAIL;                                     
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-1                                 
*KEYWDS    DISULFIDE BOND, ALPHA HELIX, CALCIUM CAGE                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Q.-Y.WANG, W.HUANG, K.DOLMER, P.G.W.GETTINS, L.RONG                   
*REVDAT   1   08-MAR-02 1JRF    0                                                

 27 TRP  O      32 HIS  O       4.50
 30 ASP- OD1    40 ASP- OD1     4.50 
 34 ASP- OD1    41 GLU- OE1     4.50
 27 TRP  O      30 ASP- OD1     3.00
 27 TRP  O      34 ASP- OD1     3.00
 27 TRP  O      40 ASP- OD1     3.00
 27 TRP  O      41 GLU- OE1     3.00
 32 HIS  O      30 ASP- OD1     3.00
 32 HIS  O      34 ASP- OD1     3.00
 32 HIS  O      40 ASP- OD1     3.00
 32 HIS  O      41 GLU- OE1     3.00
 30 ASP- OD1    34 ASP- OD1     3.00
 30 ASP- OD1    41 GLU- OE1     3.00
 40 ASP- OD1    34 ASP- OD1     3.00
 40 ASP- OD1    41 GLU- OE1     3.00
## upper limit for Tva
  2 SER  HN      2 SER  HA      3.00 
  2 SER  HN      2 SER  QB      4.00 
  3 SER  HN      4 ARG  HN      4.00 
  3 SER  HN      3 SER  HA      4.00 
  3 SER  HN      2 SER  QB      4.00 
  3 SER  HN      3 SER  QB      4.00 
  4 ARG  HN      4 ARG  HA      4.00 
  4 ARG  HN      3 SER  QB      5.00 
  4 ARG  HN      4 ARG  QB      5.00 
  5 CYSS HN      5 CYSS HA      4.00 
  5 CYSS HN      4 ARG  HA      3.00 
  5 CYSS HN     22 CYSS HB3     5.00 
  5 CYSS HN      5 CYSS QB      4.00 
  5 CYSS HN      6 PRO  QG      4.50 
  8 GLY  HN      9 GLN  HN      3.00 
  8 GLY  HN      7 PRO  HA      4.00 
  8 GLY  HN      8 GLY  HA1     3.00 
  8 GLY  HN      8 GLY  HA2     3.00 
  8 GLY  HN     16 PRO  QB      5.50 
  8 GLY  HN      9 GLN  HB2     5.50 
  8 GLY  HN      9 GLN  HB3     5.00 
  9 GLN  HN      8 GLY  HN      3.00 
  9 GLN  HN      9 GLN  HA      4.00 
  9 GLN  HN      8 GLY  HA1     4.00 
  9 GLN  HN      8 GLY  HA2     4.00 
  9 GLN  HN     10 PHE  HB3     6.00 
  9 GLN  HN      7 PRO  QB      6.00 
  9 GLN  HN      9 GLN  HB2     4.00 
  9 GLN  HN      9 GLN  HB3     3.50 
 10 PHE  HN     11 ARG  HN      5.00 
 10 PHE  HN     10 PHE  QE      6.00 
 10 PHE  HN     10 PHE  HZ      5.50
 10 PHE  HZ     10 PHE  QE      4.00 
 10 PHE  HZ     15 PRO  HA   5.00 
 10 PHE  HZ     15 PRO  QD   6.00 
 10 PHE  HZ     28 LEU  HB3     5.50 
 10 PHE  HZ     28 LEU  QD1     5.50 
 10 PHE  HZ     28 LEU  QD2     5.50 
 10 PHE  QE     10 PHE  HZ      4.50 
 10 PHE  QE     15 PRO  QD   6.00
 10 PHE  QE     10 PHE  HB2     4.50
 10 PHE  QE     10 PHE  HB3     4.50
 10 PHE  QE     28 LEU  HB3     5.50
 10 PHE  QE     28 LEU  QD1   5.50
 10 PHE  QE     28 LEU  QD2     5.50 
 10 PHE  HN      9 GLN  HA      3.00 
 10 PHE  HN     10 PHE  HA      4.00 
 10 PHE  HN     10 PHE  HB2     6.00 
 10 PHE  HN     10 PHE  HB3     3.50
 10 PHE  HN      9 GLN  HB2     5.00 
 10 PHE  HN     16 PRO  HG3     4.50 
 11 ARG  HN     10 PHE  HZ      6.00 
 11 ARG  HN     10 PHE  HA      3.00 
 11 ARG  HN     11 ARG  HA      4.00 
 11 ARG  HN     10 PHE  HB2     4.50 
 11 ARG  HN     10 PHE  HB3     4.50 
 11 ARG  HN     11 ARG  QB      4.00 
 12 CYSS HN     11 ARG  HA      3.00 
 12 CYSS HN     12 CYSS QB      6.00 
 12 CYSS HN     13 SER  HB2     6.00 
 12 CYSS HN     13 SER  HB3     5.50 
 12 CYSS HN     10 PHE  HB3     4.50 
 12 CYSS HN     14 GLU  QG      5.00
 12 CYSS HN     11 ARG  QB      4.00
 13 SER  HN     13 SER  HA      4.00 
 13 SER  HN     13 SER  HB2     4.00 
 13 SER  HN     13 SER  HB3     4.00 
 13 SER  HN     10 PHE  HB3     4.50 
 14 GLU  HN     14 GLU  HA      4.00 
 14 GLU  HN     13 SER  HA      3.00 
 14 GLU  HN     13 SER  HB2     5.50 
 14 GLU  HN     14 GLU  HB2     4.00
 14 GLU  HN     14 GLU  HB3     4.00 
 14 GLU  HN     14 GLU  QG      5.00 
 17 GLY  HN     18 ALA  HN      4.00 
 17 GLY  HN      8 GLY  HA1     4.00 
 17 GLY  HN     17 GLY  HA1     3.00 
 17 GLY  HN     17 GLY  HA2     3.00 
 17 GLY  HN     16 PRO  QB      5.00 
 17 GLY  HN     16 PRO  QG      5.50 
 18 ALA  HN     17 GLY  HN      4.00 
 18 ALA  HN     18 ALA  HA      3.00 
 18 ALA  HN     17 GLY  HA1     4.00 
 18 ALA  HN     17 GLY  HA2     3.50 
 18 ALA  HN     28 LEU  HB2     5.50 
 18 ALA  HN     18 ALA  QB      3.50 
 19 HIS  HN     20 GLY  HN      4.00 
 19 HIS  HN     18 ALA  HN      5.00 
 19 HIS  HN     19 HIS  HA      4.00
 19 HIS  HN     18 ALA  HA      3.00
 19 HIS  HN     19 HIS  QB      4.00 
 19 HIS  HN     18 ALA  QB      4.00 
 20 GLY  HN     19 HIS  HN      3.00 
 20 GLY  HN     19 HIS  HA      3.00 
 20 GLY  HN     20 GLY  HA1     4.00 
 20 GLY  HN     20 GLY  HA2     3.00 
 20 GLY  HN     19 HIS  QB      5.00 
 21 GLU  HN     22 CYSS HN      4.00 
 21 GLU  HN     21 GLU  HA      4.00 
 21 GLU  HN     20 GLY  HA1     4.00 
 21 GLU  HN     20 GLY  QA      4.00 
 21 GLU  HN     21 GLU  HB2     4.00 
 21 GLU  HN     21 GLU  HB3     4.00 
 22 CYSS HN     22 CYSS HA      4.00 
 22 CYSS HN     21 GLU  HA      4.00 
 22 CYSS HN     20 GLY  HA1     4.00
 22 CYSS HN     20 GLY  HA2     4.50
 22 CYSS HN     22 CYSS HB2     4.00 
 22 CYSS HN     22 CYSS HB3     3.50 
 22 CYSS HN     21 GLU  HB2     4.00 
 22 CYSS HN     21 GLU  HB3     3.50 
 23 TYR  HN     22 CYSS HN      3.50
 23 TYR  HN     23 TYR  HD2     4.00
 23 TYR  HN     23 TYR  HA      3.00 
 23 TYR  HN     22 CYSS HB3     4.50 
 23 TYR  HN     23 TYR  HB2     4.00 
 23 TYR  HN     23 TYR  HB3     3.50 
 25 GLN  HN     27 TRP  HD1     6.00  
 25 GLN  HN     25 GLN  HA      3.00  
 25 GLN  HN     26 ASP  HB3     6.00  
 25 GLN  HN     24 PRO  QB      5.00  
 25 GLN  HN     25 GLN  QB      5.00  
 25 GLN  HN     24 PRO  QG      5.00  
 25 GLN  HN     23 TYR  HB3     6.00  
 26 ASP  HN     26 ASP  HA      3.00
 26 ASP  HN     27 TRP  HN      3.00
 26 ASP  HN     25 GLN  HA      4.00 
 26 ASP  HN     26 ASP  HB2     4.00 
 26 ASP  HN     26 ASP  HB3     3.00 
 26 ASP  HN     25 GLN  QG      5.00 
 26 ASP  HN     23 TYR  HB3     5.00 
 27 TRP  HN     28 LEU  HN      3.00
 27 TRP  HN     27 TRP  HD1     4.00
 27 TRP  HN     27 TRP  HA      4.00 
 27 TRP  HN     26 ASP  HA      4.00 
 27 TRP  HN     24 PRO  HA      4.00
 27 TRP  HN     27 TRP  HB2     3.00
 27 TRP  HN     27 TRP  HB3     4.00
 27 TRP  HN     24 PRO  QB      5.00
 27 TRP  HN     28 LEU  HB2     5.50 
 28 LEU  HN     27 TRP  HN      4.00 
 28 LEU  HN     27 TRP  HD1     6.00 
 28 LEU  HN     26 ASP  HA      5.00 
 28 LEU  HN     28 LEU  HA      4.00 
 28 LEU  HN     25 GLN  HA      5.00 
 28 LEU  HN     28 LEU  HB2     3.50 
 28 LEU  HN     28 LEU  HB3     3.50 
 28 LEU  HN     28 LEU  QD1     4.00 
 28 LEU  HN     28 LEU  QD2     5.00 
 28 LEU  QD2    15 PRO  QD      5.00 
 28 LEU  QD2    28 LEU  HA      5.00 
 28 LEU  QD1    15 PRO  QD      6.00 
 28 LEU  QD2    10 PHE  HZ      5.50 
 28 LEU  QD2    10 PHE  QE   5.50 
 28 LEU  HB3    15 PRO  QD      5.00 
 29 CYSS HN     30 ASP- HN      4.00
 29 CYSS HN     29 CYSS HA      3.00
 29 CYSS HN     41 GLU- HA      4.50 
 29 CYSS HN     28 LEU  HA      3.00 
 29 CYSS HN     29 CYSS QB      5.00 
 29 CYSS HN     40 ASP- QB      5.00 
 29 CYSS HN     28 LEU  HB2     4.50 
 29 CYSS HN     28 LEU  HB3     4.00 
 29 CYSS HN     28 LEU  QD1     6.50 
 29 CYSS HN     28 LEU  QD2     5.00 
 30 ASP- HN     29 CYSS HN      4.00 
 30 ASP- HN     32 HIS  HN      4.00 
 30 ASP- HN     30 ASP- HA      3.00 
 30 ASP- HN     31 GLY  HA1     4.00 
 30 ASP- HN     31 GLY  HA2     4.50
 30 ASP- HN     30 ASP- HB3     4.00
 30 ASP- HN     30 ASP- HB2     4.00 
 31 GLY  HN     32 HIS  HN      3.00 
 31 GLY  HN     30 ASP- HA      4.00 
 31 GLY  HN     31 GLY  HA1     3.00 
 31 GLY  HN     31 GLY  HA2     3.00 
 32 HIS  HN     31 GLY  HN      4.00 
 32 HIS  HN     30 ASP- HN      4.00
 32 HIS  HN     31 GLY  HA1     4.00 
 32 HIS  HN     32 HIS  HA      3.00 
 32 HIS  HN     31 GLY  HA2     4.00
 32 HIS  HN     32 HIS  HB2     3.50
 32 HIS  HN     32 HIS  HB3     3.50 
 35 CYSS HN     34 ASP- HN      3.00 
 35 CYSS HN     36 ASP  HN      5.00 
 35 CYSS HN     35 CYSS HA      4.00
 35 CYSS HN     34 ASP- HA      4.00
 35 CYSS HN     38 GLY HA1      4.00 
 35 CYSS HN     35 CYSS HB2     4.00 
 35 CYSS HN     38 GLY HA2      4.00 
 35 CYSS HN     35 CYSS HB3     4.00 
 35 CYSS HN     34 ASP- QB      5.00
 35 CYSS HN     39 ARG  QG      6.00 
 36 ASP  HN     35 CYSS HA      3.00 
 36 ASP  HN     36 ASP  HA      4.00 
 36 ASP  HN     13 SER  HA      5.00 
 36 ASP  HN     37 ASP  HB2     5.50 
 36 ASP  HN     35 CYSS HB3     3.50 
 37 ASP  HN     37 ASP  HA      3.00 
 37 ASP  HN     36 ASP  HB2     4.00 
 37 ASP  HN     35 CYSS HB2     4.00 
 37 ASP  HN     37 ASP  HB2     4.00 
 37 ASP  HN     37 ASP  HB3     3.00 
 37 ASP  HN     39 ARG  QB      6.00 
 38 GLY  HN     39 ARG  HN      4.00 
 38 GLY  HN     37 ASP  HA      4.00
 38 GLY  HN     38 GLY  HA1     3.00
 38 GLY  HN     35 CYSS HB2     4.00 
 38 GLY  HN     38 GLY  HA2     3.00 
 38 GLY  HN     37 ASP  HB2     4.00 
 38 GLY  HN     37 ASP  HB3     4.00 
 39 ARG  HN     40 ASP- HN      3.00 
 39 ARG  HN     38 GLY  HN      4.00 
 39 ARG  HN     40 ASP- HA      5.00
 39 ARG  HN     38 GLY  QA      4.00
 39 ARG  HN     40 ASP- QB      5.00
 39 ARG  HN     39 ARG  QB      4.00
 39 ARG  HN     39 ARG  QG      3.00 
 40 ASP- HN     41 GLU- HN      3.00 
 40 ASP- HN     39 ARG  HN      4.00 
 40 ASP- HN     40 ASP- HA      3.00 
 40 ASP- HN     35 CYSS HB2     5.00 
 40 ASP- HN     38 GLY  HA2     5.00 
 40 ASP- HN     40 ASP- QB      3.00 
 40 ASP- HN     39 ARG  QB      5.00 
 40 ASP- HN     28 LEU  HB3     6.00
 40 ASP- HN     39 ARG  QG      4.00 
 40 ASP- HN     28 LEU  QD2     5.50 
 41 GLU- HN     40 ASP- HN      3.00 
 41 GLU- HN     42 TRP  HN      3.00 
 41 GLU- HN     41 GLU- HA      4.00 
 41 GLU- HN     40 ASP- HA      4.00 
 41 GLU- HN     39 ARG  QB      5.00 
 41 GLU- HN     41 GLU- QB      4.00 
 42 TRP  HN     41 GLU- HN      4.00 
 42 TRP  HN     43 GLY  HN      4.00 
 42 TRP  HN     42 TRP  HA      3.00 
 42 TRP  HN     41 GLU- HA      4.00 
 42 TRP  HN     42 TRP  QB      3.00 
 42 TRP  HN     39 ARG  QB      5.00 
 42 TRP  HN     41 GLU- QB      6.00 
 42 TRP  HN     39 ARG  QG      5.50 
 43 GLY  HN     43 GLY  QA      4.00
 44 CYSS HN     45 GLY  HN      4.00
 44 CYSS HN     44 CYSS HA      3.00 
 44 CYSS HN     45 GLY  QA      4.00 
 44 CYSS HN     43 GLY  HA2     4.00
 44 CYSS HN     44 CYSS HB2     4.00
 44 CYSS HN     44 CYSS HB3     3.00 
 44 CYSS HN     41 GLU- QB      5.00 
 45 GLY  HN     44 CYSS HN      4.00 
 45 GLY  HN     44 CYSS HA    4.00 
 45 GLY  HN     45 GLY  QA      3.50 
 45 GLY  HN     44 CYSS HB2     4.00 
 45 GLY  HN     44 CYSS HB3     4.00 
 46 THR  HN     46 THR  HA      4.00 
 46 THR  HN     45 GLY  QA      3.00 
 46 THR  HN     46 THR  QG2     3.00 
 47 SER  HN     46 THR  HA      4.00 
 27 TRP  O      32 HIS  O       6.00 
 27 TRP  O      30 ASP- OD1     4.00
 27 TRP  O      34 ASP- OD1     4.00
 27 TRP  O      40 ASP- OD1     4.00
 27 TRP  O      41 GLU- OE1     4.00
 32 HIS  O      30 ASP- OD1     4.00
 32 HIS  O      34 ASP- OD1     4.00
 32 HIS  O      40 ASP- OD1     4.00
 32 HIS  O      41 GLU- OE1     4.00
 30 ASP- OD1    34 ASP- OD1     4.00
 30 ASP- OD1    40 ASP- OD1     6.00
 30 ASP- OD1    41 GLU- OE1     4.00
  5 CYSS HA     22 CYSS HB2   4.00 
  5 CYSS HA     22 CYSS HB3   4.00 
  5 CYSS HA      6 PRO  QG   5.00 
  5 CYSS HA     21 GLU  HB3     3.50 
  7 PRO  HA      7 PRO  QB      4.00 
  7 PRO  HA      7 PRO  QG      4.50 
  7 PRO  QB      7 PRO  HD3     4.50 
  7 PRO  QB      7 PRO  HD2   4.50 
 10 PHE  HA     10 PHE  HB2     3.50
 10 PHE  HA     10 PHE  HB3     3.50
 10 PHE  HA     11 ARG  QG      6.00 
 10 PHE  HA     16 PRO  HG3     5.50 
 10 PHE  HA     14 GLU  QG      5.50 
 10 PHE  HA     11 ARG  QB      5.00 
 14 GLU  HA     40 ASP- QB      5.00 
 14 GLU  HA     15 PRO  HD2     4.50 
 14 GLU  HA     15 PRO  HD3     4.50
 14 GLU  HA     14 GLU  HB3     3.00
 14 GLU  HA     14 GLU  QG      4.00 
 14 GLU  HA     28 LEU  HB3     6.00 
 16 PRO  HA     16 PRO  QD      4.00 
 17 GLY  HA1    17 GLY HA2      3.00 
 18 ALA  HA     18 ALA  QB      4.00 
 18 ALA  HA     26 ASP  HB3     5.50 
 18 ALA  HA     25 GLN  QG      6.00
 19 HIS  HA     19 HIS  HB2     3.00
 19 HIS  HA     19 HIS  HB3     3.00 
 19 HIS  HA     20 GLY  HA2     4.50 
 19 HIS  HA     26 ASP  HB2     4.00 
 19 HIS  HA     21 GLU  HB2     5.50 
 19 HIS  HA     21 GLU  HB3     5.50 
 21 GLU  HA     21 GLU  HB2     4.00 
 21 GLU  HA     21 GLU  HB3   4.00 
 23 TYR  HA     23 TYR  HB3     3.00 
 23 TYR  HA     22 CYSS HB3     4.50 
 23 TYR  HA     23 TYR  HB2     4.00
 23 TYR  HA     24 PRO  QG      6.00
 25 GLN  HA     25 GLN  QB      4.00
 25 GLN  HA     25 GLN  QG      4.00
 25 GLN  HA     23 TYR  HB3     6.00 
 25 GLN  HA     28 LEU  HB3   5.00 
 25 GLN  HA     28 LEU  QD1     4.50
 25 GLN  HA     28 LEU  QD2     5.00
 26 ASP  HA     26 ASP  HB2     3.00 
 26 ASP  HA     26 ASP  HB3     3.00 
 28 LEU  HA     40 ASP- QB   5.00
 28 LEU  HA     28 LEU  HB2     4.00
 28 LEU  HA     41 GLU- QB      5.00 
 28 LEU  HA     28 LEU  HB3     4.00 
 28 LEU  HA     28 LEU  QD1     4.50 
 28 LEU  HA     28 LEU  QD2     4.50 
 29 CYSS HA     44 CYSS HB2     3.50 
 29 CYSS HA     44 CYSS HB3     4.50 
 30 ASP- HA     30 ASP- HB3     4.00 
 30 ASP- HA     31 GLY  HA1   6.00 
 30 ASP- HA     30 ASP- HB2     4.00 
 32 HIS  HA     32 HIS  HB2     3.00 
 32 HIS  HA     32 HIS  HB3     4.00 
 35 CYSS HA     35 CYSS HB3   4.00 
 37 ASP  HA     37 ASP  HB2   3.00 
 37 ASP  HA     37 ASP  HB3   3.00
 37 ASP  HA     38 GLY  HA2     5.00 
 40 ASP- HA     14 GLU  HA   4.00 
 40 ASP- HA     40 ASP- QB      4.00 
 40 ASP- HA     28 LEU  HB2     5.00 
 40 ASP- HA     28 LEU  QD1     6.00 
 40 ASP- HA     28 LEU  QD2   4.00 
 41 GLU- HA     41 GLU- QB      4.00 
 42 TRP  HA     42 TRP  QB      4.00 
 44 CYSS HA     41 GLU- QB     6.00 
 44 CYSS HA     44 CYSS HB3   4.00 
 44 CYSS HA     46 THR  QG2    6.00 
# DIANA dihedral constraint File for Tva  
   5 CYSS  PHI     -180.0  -53.1
   8 GLY   PHI     -180.0  -52.7
   9 GLN   PHI     -176.3  -63.7
  10 PHE   PHI     -180.0  -47.3
  11 ARG   PHI     -180.0  -49.0
  13 SER   PHI     -180.0  -34.1
  14 GLU   PHI     -180.0  -36.7
  17 GLY   PHI     -180.0  -32.7
  18 ALA   PHI     -180.0  -42.7
  19 HIS   PHI     -180.0  -44.4
  20 GLY   PHI     -79.6   -39.6
  21 GLU   PHI     -180.0  -41.5
  23 TYR   PHI     -150.0  -90.0
  25 GLN   PHI     -77.0   -37.0
  26 ASP   PHI     -77.0   -37.0
  27 TRP   PHI     -77.0   -37.0
  28 LEU   PHI     -77.0   -37.0
  30 ASP-  PHI     -157.3  -72.7
  31 GLY   PHI     -180.0  -54.6
  32 HIS   PHI     -170.3  -69.3
  34 ASP-  PHI     -169.0  -60.7
  35 CYSS  PHI     -180.0  -52.7
  37 ASP   PHI     -168.8  -61.2
  40 ASP-  PHI     -180.0  -46.4
  41 GLU-  PHI     -165.7  -64.4
  42 TRP   PHI     -178.7  -51.4
  43 GLY   PHI     -75.2   -33.2
  44 CYSS  PHI     -180.0  -46.8
  45 GLY   PHI     -180.0  -48.3


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   2.114   1.012  -1.649
    3   2HA   GLY   1          2HA       GLY   1   3.101  -0.310  -1.056
    4    H    SER   2           HN       SER   2   1.419   0.550  -3.692
    5    HA   SER   2           HA       SER   2  -0.467  -1.207  -4.292
    6   1HB   SER   2          2HB       SER   2   0.532  -1.182  -6.680
    7   2HB   SER   2          3HB       SER   2   0.118   0.362  -5.962
    8    HG   SER   2           HG       SER   2   2.508  -0.415  -6.915
    9    H    SER   3           HN       SER   3  -0.508  -3.328  -5.447
   10    HA   SER   3           HA       SER   3   1.520  -5.037  -4.334
   11   1HB   SER   3          2HB       SER   3  -1.083  -5.630  -5.809
   12   2HB   SER   3          3HB       SER   3  -0.007  -6.873  -5.202
   13    HG   SER   3           HG       SER   3  -0.678  -6.527  -3.182
   14    H    ARG   4           HN       ARG   4   3.285  -4.278  -5.764
   15    HA   ARG   4           HA       ARG   4   3.121  -4.285  -8.492
   16   1HB   ARG   4          2HB       ARG   4   5.334  -4.489  -6.467
   17   2HB   ARG   4          3HB       ARG   4   5.752  -4.925  -8.112
   18   1HG   ARG   4          2HG       ARG   4   6.180  -2.617  -8.118
   19   2HG   ARG   4          3HG       ARG   4   4.555  -2.671  -8.771
   20   1HD   ARG   4          2HD       ARG   4   4.478  -0.971  -7.089
   21   2HD   ARG   4          3HD       ARG   4   3.705  -2.359  -6.351
   22    HE   ARG   4           HE       ARG   4   5.423  -2.412  -4.778
   23   1HH1  ARG   4          1HH1      ARG   4   8.603  -1.017  -4.696
   24   1HH2  ARG   4          2HH2      ARG   4   6.618  -0.734  -7.661
   25   2HH2  ARG   4          1HH2      ARG   4   8.144  -0.332  -6.947
   26    H    CYS   5           HN       CYS   5   3.444  -5.869 -10.116
   27    HA   CYS   5           HA       CYS   5   4.598  -8.341  -9.700
   28   1HB   CYS   5          2HB       CYS   5   2.886  -9.046  -8.270
   29   2HB   CYS   5          3HB       CYS   5   1.630  -8.289  -9.230
   30    HA   PRO   6           HA       PRO   6   3.597  -6.918 -13.907
   31   1HB   PRO   6          2HB       PRO   6   6.155  -6.686 -14.839
   32   2HB   PRO   6          3HB       PRO   6   5.255  -5.342 -14.166
   33   1HG   PRO   6          2HG       PRO   6   7.450  -6.899 -12.943
   34   2HG   PRO   6          3HG       PRO   6   6.836  -5.322 -12.487
   35   1HD   PRO   6          2HD       PRO   6   6.327  -7.812 -11.158
   36   2HD   PRO   6          3HD       PRO   6   5.622  -6.255 -10.772
   37    HA   PRO   7           HA       PRO   7   4.086 -10.629 -15.915
   38   1HB   PRO   7          2HB       PRO   7   4.489 -10.016 -18.548
   39   2HB   PRO   7          3HB       PRO   7   2.911  -9.977 -17.786
   40   1HG   PRO   7          2HG       PRO   7   4.653  -7.717 -18.556
   41   2HG   PRO   7          3HG       PRO   7   2.938  -7.708 -18.198
   42   1HD   PRO   7          2HD       PRO   7   5.054  -6.813 -16.481
   43   2HD   PRO   7          3HD       PRO   7   3.351  -6.914 -16.080
   44    H    GLY   8           HN       GLY   8   5.438 -12.300 -16.743
   45   1HA   GLY   8          1HA       GLY   8   8.011 -11.790 -17.700
   46   2HA   GLY   8          2HA       GLY   8   8.122 -11.942 -15.958
   47    H    GLN   9           HN       GLN   9   6.898 -13.588 -18.930
   48    HA   GLN   9           HA       GLN   9   7.534 -16.092 -17.602
   49   1HB   GLN   9          2HB       GLN   9   4.966 -15.433 -17.724
   50   2HB   GLN   9          3HB       GLN   9   5.107 -15.930 -19.399
   51   1HG   GLN   9          2HG       GLN   9   6.419 -17.928 -17.782
   52   2HG   GLN   9          3HG       GLN   9   4.860 -17.595 -17.053
   53   1HE2  GLN   9          1HE2      GLN   9   3.044 -18.313 -17.964
   54   2HE2  GLN   9          2HE2      GLN   9   2.933 -19.182 -19.459
   55    H    PHE  10           HN       PHE  10   8.770 -14.205 -19.695
   56    HA   PHE  10           HA       PHE  10   8.509 -15.407 -22.211
   57   1HB   PHE  10          2HB       PHE  10  10.567 -14.050 -22.652
   58   2HB   PHE  10          3HB       PHE  10   9.439 -13.116 -21.689
   59    HD1  PHE  10           HD1      PHE  10  10.353 -15.167 -19.259
   60    HD2  PHE  10           HD2      PHE  10  12.208 -12.309 -21.788
   61    HE1  PHE  10           HE1      PHE  10  12.135 -14.795 -17.531
   62    HE2  PHE  10           HE2      PHE  10  13.991 -11.937 -20.060
   63    HZ   PHE  10           HZ       PHE  10  13.933 -13.185 -17.953
   64    H    ARG  11           HN       ARG  11  11.335 -15.731 -22.905
   65    HA   ARG  11           HA       ARG  11  11.743 -18.292 -21.586
   66   1HB   ARG  11          2HB       ARG  11  11.571 -17.603 -24.354
   67   2HB   ARG  11          3HB       ARG  11  13.260 -17.972 -24.068
   68   1HG   ARG  11          2HG       ARG  11  12.065 -20.031 -22.685
   69   2HG   ARG  11          3HG       ARG  11  10.878 -19.771 -23.948
   70   1HD   ARG  11          2HD       ARG  11  13.850 -20.056 -24.567
   71   2HD   ARG  11          3HD       ARG  11  12.788 -21.446 -24.464
   72    HE   ARG  11           HE       ARG  11  11.706 -19.381 -26.213
   73   1HH1  ARG  11          1HH1      ARG  11  12.522 -21.015 -29.167
   74   1HH2  ARG  11          2HH2      ARG  11  13.982 -22.094 -26.082
   75   2HH2  ARG  11          1HH2      ARG  11  13.917 -22.392 -27.787
   76    H    CYS  12           HN       CYS  12  12.691 -15.376 -20.967
   77    HA   CYS  12           HA       CYS  12  14.472 -14.540 -19.969
   78   1HB   CYS  12          2HB       CYS  12  14.931 -16.995 -19.345
   79   2HB   CYS  12          3HB       CYS  12  16.121 -16.972 -20.632
   80    H    SER  13           HN       SER  13  13.900 -13.548 -22.361
   81    HA   SER  13           HA       SER  13  16.504 -13.204 -23.547
   82   1HB   SER  13          2HB       SER  13  15.255 -13.317 -25.872
   83   2HB   SER  13          3HB       SER  13  15.835 -14.788 -25.117
   84    HG   SER  13           HG       SER  13  13.134 -13.745 -24.980
   85    H    GLU  14           HN       GLU  14  14.060 -11.856 -21.981
   86    HA   GLU  14           HA       GLU  14  14.565  -9.304 -22.738
   87   1HB   GLU  14          2HB       GLU  14  12.327  -8.751 -23.913
   88   2HB   GLU  14          3HB       GLU  14  13.578  -9.508 -24.879
   89   1HG   GLU  14          2HG       GLU  14  12.516 -11.747 -24.487
   90   2HG   GLU  14          3HG       GLU  14  11.257 -10.979 -23.541
   91    HE2  GLU  14           HE2      GLU  14  11.520 -12.036 -26.736
   92    HA   PRO  15           HA       PRO  15  12.259  -9.485 -18.983
   93   1HB   PRO  15          2HB       PRO  15  13.332  -7.248 -17.838
   94   2HB   PRO  15          3HB       PRO  15  14.056  -8.837 -17.697
   95   1HG   PRO  15          2HG       PRO  15  14.911  -6.553 -19.368
   96   2HG   PRO  15          3HG       PRO  15  15.829  -7.966 -18.888
   97   1HD   PRO  15          2HD       PRO  15  14.643  -7.479 -21.454
   98   2HD   PRO  15          3HD       PRO  15  15.461  -8.941 -20.938
   99    HA   PRO  16           HA       PRO  16   9.171  -6.842 -20.427
  100   1HB   PRO  16          2HB       PRO  16   7.051  -8.107 -19.257
  101   2HB   PRO  16          3HB       PRO  16   7.675  -8.543 -20.835
  102   1HG   PRO  16          2HG       PRO  16   7.999  -9.956 -18.259
  103   2HG   PRO  16          3HG       PRO  16   8.236 -10.568 -19.884
  104   1HD   PRO  16          2HD       PRO  16  10.281  -9.807 -18.022
  105   2HD   PRO  16          3HD       PRO  16  10.512 -10.309 -19.685
  106    H    GLY  17           HN       GLY  17   9.300  -7.959 -17.094
  107   1HA   GLY  17          1HA       GLY  17   9.248  -5.211 -16.197
  108   2HA   GLY  17          2HA       GLY  17   7.800  -6.120 -15.813
  109    H    ALA  18           HN       ALA  18  11.051  -5.424 -14.901
  110    HA   ALA  18           HA       ALA  18  11.519  -7.838 -13.441
  111   1HB   ALA  18          1HB       ALA  18  13.447  -6.455 -12.535
  112   2HB   ALA  18          2HB       ALA  18  13.405  -6.625 -14.306
  113   3HB   ALA  18          3HB       ALA  18  12.860  -5.112 -13.544
  114    H    HIS  19           HN       HIS  19  10.861  -8.339 -11.400
  115    HA   HIS  19           HA       HIS  19  10.590  -6.528  -9.349
  116   1HB   HIS  19          2HB       HIS  19   8.295  -6.558 -11.142
  117   2HB   HIS  19          3HB       HIS  19   7.841  -7.031  -9.517
  118    HD1  HIS  19           HD1      HIS  19   9.197  -5.236  -7.640
  119    HD2  HIS  19           HD2      HIS  19   7.991  -3.872 -11.419
  120    HE1  HIS  19           HE1      HIS  19   9.033  -2.695  -7.465
  121    H    GLY  20           HN       GLY  20  11.731  -8.327  -8.427
  122   1HA   GLY  20          1HA       GLY  20  10.991 -10.965  -8.431
  123   2HA   GLY  20          2HA       GLY  20  11.828 -10.156  -7.120
  124    H    GLU  21           HN       GLU  21   9.304  -8.249  -6.996
  125    HA   GLU  21           HA       GLU  21   8.168  -9.368  -4.803
  126   1HB   GLU  21          2HB       GLU  21   7.957  -6.976  -5.934
  127   2HB   GLU  21          3HB       GLU  21   6.504  -7.646  -6.649
  128   1HG   GLU  21          2HG       GLU  21   5.714  -6.681  -4.637
  129   2HG   GLU  21          3HG       GLU  21   5.861  -8.379  -4.230
  130    HE2  GLU  21           HE2      GLU  21   8.316  -8.683  -2.815
  131    H    CYS  22           HN       CYS  22   7.580 -10.057  -8.216
  132    HA   CYS  22           HA       CYS  22   5.536 -11.972  -7.368
  133   1HB   CYS  22          2HB       CYS  22   4.608  -9.930  -8.562
  134   2HB   CYS  22          3HB       CYS  22   5.447 -10.489  -9.995
  135    H    TYR  23           HN       TYR  23   7.106 -11.127 -10.529
  136    HA   TYR  23           HA       TYR  23   7.894 -13.904 -10.816
  137   1HB   TYR  23          2HB       TYR  23   7.987 -11.334 -12.511
  138   2HB   TYR  23          3HB       TYR  23   8.597 -12.863 -13.113
  139    HD1  TYR  23           HD1      TYR  23   7.108 -14.585 -13.898
  140    HD2  TYR  23           HD2      TYR  23   5.543 -11.045 -12.075
  141    HE1  TYR  23           HE1      TYR  23   4.776 -15.185 -14.715
  142    HE2  TYR  23           HE2      TYR  23   3.217 -11.657 -12.898
  143    HH   TYR  23           HH       TYR  23   2.727 -14.468 -14.986
  144    HA   PRO  24           HA       PRO  24  12.087 -13.239  -9.997
  145   1HB   PRO  24          2HB       PRO  24  13.319 -15.049 -11.633
  146   2HB   PRO  24          3HB       PRO  24  12.563 -15.489 -10.114
  147   1HG   PRO  24          2HG       PRO  24  11.587 -15.937 -12.869
  148   2HG   PRO  24          3HG       PRO  24  11.083 -16.721 -11.384
  149   1HD   PRO  24          2HD       PRO  24   9.669 -14.673 -12.809
  150   2HD   PRO  24          3HD       PRO  24   9.224 -15.374 -11.266
  151    H    GLN  25           HN       GLN  25  10.709 -12.035 -12.613
  152    HA   GLN  25           HA       GLN  25  12.566 -11.566 -14.457
  153   1HB   GLN  25          2HB       GLN  25  10.574  -9.580 -13.281
  154   2HB   GLN  25          3HB       GLN  25  11.449  -9.301 -14.774
  155   1HG   GLN  25          2HG       GLN  25   9.382 -11.450 -14.186
  156   2HG   GLN  25          3HG       GLN  25   9.346 -10.230 -15.443
  157   1HE2  GLN  25          1HE2      GLN  25  10.293 -13.368 -14.545
  158   2HE2  GLN  25          2HE2      GLN  25  11.114 -13.848 -15.992
  159    H    ASP  26           HN       ASP  26  12.597 -10.440 -11.123
  160    HA   ASP  26           HA       ASP  26  14.060  -8.208 -11.200
  161   1HB   ASP  26          2HB       ASP  26  13.478  -8.942  -9.049
  162   2HB   ASP  26          3HB       ASP  26  13.999 -10.588  -9.354
  163    HD2  ASP  26           HD2      ASP  26  16.041 -11.089  -8.701
  164    H    TRP  27           HN       TRP  27  15.206 -11.639 -11.452
  165    HA   TRP  27           HA       TRP  27  17.876 -11.404 -11.334
  166   1HB   TRP  27          2HB       TRP  27  16.008 -13.132 -12.841
  167   2HB   TRP  27          3HB       TRP  27  17.659 -13.107 -13.429
  168    HD1  TRP  27           HD1      TRP  27  15.565 -14.703 -10.776
  169    HE1  TRP  27           HE1      TRP  27  16.978 -16.137  -9.071
  170    HE3  TRP  27           HE3      TRP  27  20.101 -12.925 -12.232
  171    HZ2  TRP  27           HZ2      TRP  27  19.772 -16.362  -8.534
  172    HZ3  TRP  27           HZ3      TRP  27  22.121 -13.804 -11.066
  173    HH2  TRP  27           HH2      TRP  27  22.009 -15.464  -9.275
  174    H    LEU  28           HN       LEU  28  15.766 -10.679 -14.197
  175    HA   LEU  28           HA       LEU  28  17.820  -9.949 -15.918
  176   1HB   LEU  28          2HB       LEU  28  14.964  -8.966 -15.822
  177   2HB   LEU  28          3HB       LEU  28  16.057  -8.810 -17.184
  178    HG   LEU  28           HG       LEU  28  16.078 -11.544 -16.629
  179   1HD1  LEU  28          1HD1      LEU  28  14.241 -11.998 -15.447
  180   2HD1  LEU  28          2HD1      LEU  28  13.566 -10.371 -15.699
  181   3HD1  LEU  28          3HD1      LEU  28  13.338 -11.630 -16.936
  182   1HD2  LEU  28          1HD2      LEU  28  15.531 -11.715 -18.808
  183   2HD2  LEU  28          2HD2      LEU  28  14.145 -10.608 -18.664
  184   3HD2  LEU  28          3HD2      LEU  28  15.795  -9.955 -18.797
  185    H    CYS  29           HN       CYS  29  18.597  -7.844 -16.588
  186    HA   CYS  29           HA       CYS  29  19.694  -6.011 -15.975
  187   1HB   CYS  29          2HB       CYS  29  17.758  -5.015 -16.898
  188   2HB   CYS  29          3HB       CYS  29  16.810  -5.310 -15.453
  189    H    ASP  30           HN       ASP  30  20.884  -7.063 -14.184
  190    HA   ASP  30           HA       ASP  30  20.027  -5.950 -11.644
  191   1HB   ASP  30          2HB       ASP  30  20.180  -7.963 -10.498
  192   2HB   ASP  30          3HB       ASP  30  19.622  -8.556 -12.049
  193    H    GLY  31           HN       GLY  31  22.608  -7.757 -13.473
  194   1HA   GLY  31          1HA       GLY  31  24.578  -5.792 -13.165
  195   2HA   GLY  31          2HA       GLY  31  24.776  -6.955 -11.870
  196    H    HIS  32           HN       HIS  32  23.982  -9.373 -13.102
  197    HA   HIS  32           HA       HIS  32  25.891  -9.557 -15.317
  198   1HB   HIS  32          2HB       HIS  32  27.024 -10.523 -13.497
  199   2HB   HIS  32          3HB       HIS  32  25.581 -11.305 -12.883
  200    HD1  HIS  32           HD1      HIS  32  28.403 -11.764 -15.278
  201    HD2  HIS  32           HD2      HIS  32  24.807 -13.690 -14.301
  202    HE1  HIS  32           HE1      HIS  32  28.516 -14.076 -16.351
  203    HA   PRO  33           HA       PRO  33  22.555 -11.391 -17.381
  204   1HB   PRO  33          2HB       PRO  33  23.860 -12.505 -19.509
  205   2HB   PRO  33          3HB       PRO  33  23.422 -10.810 -19.434
  206   1HG   PRO  33          2HG       PRO  33  26.081 -12.053 -19.087
  207   2HG   PRO  33          3HG       PRO  33  25.688 -10.381 -19.436
  208   1HD   PRO  33          2HD       PRO  33  26.503 -11.459 -16.906
  209   2HD   PRO  33          3HD       PRO  33  25.998  -9.812 -17.230
  210    H    ASP  34           HN       ASP  34  21.321 -13.246 -17.559
  211    HA   ASP  34           HA       ASP  34  22.790 -15.671 -17.024
  212   1HB   ASP  34          2HB       ASP  34  20.929 -16.290 -15.329
  213   2HB   ASP  34          3HB       ASP  34  22.173 -15.181 -14.787
  214    H    CYS  35           HN       CYS  35  21.545 -14.652 -19.429
  215    HA   CYS  35           HA       CYS  35  19.167 -16.359 -19.584
  216   1HB   CYS  35          2HB       CYS  35  19.749 -13.667 -20.735
  217   2HB   CYS  35          3HB       CYS  35  18.781 -14.778 -21.684
  218    H    ASP  36           HN       ASP  36  18.936 -16.573 -22.348
  219    HA   ASP  36           HA       ASP  36  20.470 -18.577 -23.052
  220   1HB   ASP  36          2HB       ASP  36  18.928 -16.553 -24.453
  221   2HB   ASP  36          3HB       ASP  36  20.342 -16.944 -25.412
  222    HD2  ASP  36           HD2      ASP  36  17.791 -17.648 -26.300
  223    H    ASP  37           HN       ASP  37  21.195 -15.149 -24.094
  224    HA   ASP  37           HA       ASP  37  23.982 -15.953 -24.311
  225   1HB   ASP  37          2HB       ASP  37  22.323 -14.603 -26.101
  226   2HB   ASP  37          3HB       ASP  37  23.187 -13.282 -25.339
  227    HD2  ASP  37           HD2      ASP  37  24.466 -16.354 -27.154
  228    H    GLY  38           HN       GLY  38  21.748 -13.276 -23.269
  229   1HA   GLY  38          1HA       GLY  38  22.264 -12.608 -20.881
  230   2HA   GLY  38          2HA       GLY  38  23.872 -12.260 -21.485
  231    H    ARG  39           HN       ARG  39  20.394 -11.569 -22.302
  232    HA   ARG  39           HA       ARG  39  21.294  -8.878 -22.956
  233   1HB   ARG  39          2HB       ARG  39  19.124  -8.868 -24.421
  234   2HB   ARG  39          3HB       ARG  39  20.514  -9.750 -25.021
  235   1HG   ARG  39          2HG       ARG  39  19.589 -11.878 -24.200
  236   2HG   ARG  39          3HG       ARG  39  18.265 -11.045 -23.411
  237   1HD   ARG  39          2HD       ARG  39  18.779 -11.157 -26.422
  238   2HD   ARG  39          3HD       ARG  39  17.503 -11.994 -25.560
  239    HE   ARG  39           HE       ARG  39  17.247  -9.238 -24.934
  240   1HH1  ARG  39          1HH1      ARG  39  15.114  -8.283 -27.503
  241   1HH2  ARG  39          2HH2      ARG  39  16.975 -11.327 -27.783
  242   2HH2  ARG  39          1HH2      ARG  39  15.829 -10.301 -28.579
  243    H    ASP  40           HN       ASP  40  19.632 -10.800 -20.747
  244    HA   ASP  40           HA       ASP  40  17.317  -9.332 -20.317
  245   1HB   ASP  40          2HB       ASP  40  17.484 -10.387 -17.970
  246   2HB   ASP  40          3HB       ASP  40  17.436 -11.495 -19.327
  247    H    GLU  41           HN       GLU  41  20.666  -8.640 -19.789
  248    HA   GLU  41           HA       GLU  41  19.905  -6.388 -18.120
  249   1HB   GLU  41          2HB       GLU  41  22.583  -7.562 -17.546
  250   2HB   GLU  41          3HB       GLU  41  21.424  -6.835 -16.452
  251   1HG   GLU  41          2HG       GLU  41  19.997  -9.038 -17.092
  252   2HG   GLU  41          3HG       GLU  41  21.593  -9.680 -17.427
  253    H    TRP  42           HN       TRP  42  20.624  -7.023 -21.071
  254    HA   TRP  42           HA       TRP  42  23.121  -6.113 -21.732
  255   1HB   TRP  42          2HB       TRP  42  20.891  -6.900 -23.086
  256   2HB   TRP  42          3HB       TRP  42  20.928  -5.191 -23.474
  257    HD1  TRP  42           HD1      TRP  42  22.704  -8.440 -24.299
  258    HE1  TRP  42           HE1      TRP  42  24.572  -8.114 -26.134
  259    HE3  TRP  42           HE3      TRP  42  22.639  -3.357 -24.214
  260    HZ2  TRP  42           HZ2      TRP  42  25.786  -5.819 -27.318
  261    HZ3  TRP  42           HZ3      TRP  42  24.197  -2.150 -25.741
  262    HH2  TRP  42           HH2      TRP  42  25.733  -3.298 -27.256
  263    H    GLY  43           HN       GLY  43  20.175  -4.033 -22.121
  264   1HA   GLY  43          1HA       GLY  43  21.728  -1.647 -21.790
  265   2HA   GLY  43          2HA       GLY  43  19.997  -1.776 -22.029
  266    H    CYS  44           HN       CYS  44  22.299  -2.978 -19.474
  267    HA   CYS  44           HA       CYS  44  20.911  -1.327 -17.545
  268   1HB   CYS  44          2HB       CYS  44  19.661  -3.480 -17.623
  269   2HB   CYS  44          3HB       CYS  44  21.128  -4.320 -17.162
  270    H    GLY  45           HN       GLY  45  23.383  -3.893 -18.230
  271   1HA   GLY  45          1HA       GLY  45  25.062  -3.583 -16.091
  272   2HA   GLY  45          2HA       GLY  45  25.571  -4.008 -17.713
  273    H    THR  46           HN       THR  46  25.799  -2.091 -19.315
  274    HA   THR  46           HA       THR  46  27.698  -0.334 -18.405
  275    HB   THR  46           HB       THR  46  27.201  -0.931 -20.793
  276    HG1  THR  46           HG1      THR  46  28.335   0.991 -20.765
  277   1HG2  THR  46          1HG2      THR  46  24.564  -0.101 -20.158
  278   2HG2  THR  46          2HG2      THR  46  25.223   1.208 -21.167
  279   3HG2  THR  46          3HG2      THR  46  25.192  -0.461 -21.784
  280    H    SER  47           HN       SER  47  27.781   1.536 -17.301
  281    HA   SER  47           HA       SER  47  25.429   2.383 -16.028
  282   1HB   SER  47          2HB       SER  47  28.219   3.598 -16.199
  283   2HB   SER  47          3HB       SER  47  26.948   4.260 -15.190
  284    HG   SER  47           HG       SER  47  27.947   2.897 -13.792
  Start of MODEL    2
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   3.133  -0.146  -1.037
    3   2HA   GLY   1          2HA       GLY   1   1.752  -0.836  -1.867
    4    H    SER   2           HN       SER   2   3.836   1.303  -2.628
    5    HA   SER   2           HA       SER   2   1.893   3.384  -3.267
    6   1HB   SER   2          2HB       SER   2   4.809   3.503  -2.521
    7   2HB   SER   2          3HB       SER   2   4.204   4.701  -3.647
    8    HG   SER   2           HG       SER   2   2.641   4.249  -1.317
    9    H    SER   3           HN       SER   3   2.206   4.434  -5.439
   10    HA   SER   3           HA       SER   3   2.191   4.158  -7.608
   11   1HB   SER   3          2HB       SER   3   4.396   3.923  -8.644
   12   2HB   SER   3          3HB       SER   3   4.533   4.893  -7.191
   13    HG   SER   3           HG       SER   3   5.487   2.264  -7.714
   14    H    ARG   4           HN       ARG   4   0.652   2.476  -7.935
   15    HA   ARG   4           HA       ARG   4   1.894  -0.028  -8.670
   16   1HB   ARG   4          2HB       ARG   4  -0.276   0.372  -6.604
   17   2HB   ARG   4          3HB       ARG   4  -0.368  -1.056  -7.617
   18   1HG   ARG   4          2HG       ARG   4   2.361  -0.615  -6.598
   19   2HG   ARG   4          3HG       ARG   4   1.197  -0.753  -5.296
   20   1HD   ARG   4          2HD       ARG   4   0.330  -2.888  -6.359
   21   2HD   ARG   4          3HD       ARG   4   1.597  -2.764  -7.564
   22    HE   ARG   4           HE       ARG   4   2.836  -2.574  -5.009
   23   1HH1  ARG   4          1HH1      ARG   4   3.522  -5.941  -4.503
   24   1HH2  ARG   4          2HH2      ARG   4   1.083  -4.974  -6.938
   25   2HH2  ARG   4          1HH2      ARG   4   1.878  -6.327  -6.204
   26    H    CYS   5           HN       CYS   5   0.012  -1.482  -9.783
   27    HA   CYS   5           HA       CYS   5  -2.221  -0.261 -10.840
   28   1HB   CYS   5          2HB       CYS   5  -0.907   1.280 -12.052
   29   2HB   CYS   5          3HB       CYS   5   0.239   0.051 -12.551
   30    HA   PRO   6           HA       PRO   6  -1.547  -4.723 -11.398
   31   1HB   PRO   6          2HB       PRO   6  -3.680  -5.600  -9.933
   32   2HB   PRO   6          3HB       PRO   6  -2.067  -5.429  -9.269
   33   1HG   PRO   6          2HG       PRO   6  -4.430  -3.699  -8.865
   34   2HG   PRO   6          3HG       PRO   6  -2.966  -3.800  -7.907
   35   1HD   PRO   6          2HD       PRO   6  -3.643  -1.749  -9.794
   36   2HD   PRO   6          3HD       PRO   6  -2.132  -1.913  -8.922
   37    HA   PRO   7           HA       PRO   7  -4.427  -5.403 -14.445
   38   1HB   PRO   7          2HB       PRO   7  -4.998  -8.074 -14.368
   39   2HB   PRO   7          3HB       PRO   7  -3.538  -7.427 -15.088
   40   1HG   PRO   7          2HG       PRO   7  -3.868  -8.823 -12.503
   41   2HG   PRO   7          3HG       PRO   7  -2.403  -8.552 -13.425
   42   1HD   PRO   7          2HD       PRO   7  -3.235  -7.139 -11.072
   43   2HD   PRO   7          3HD       PRO   7  -1.830  -6.793 -12.060
   44    H    GLY   8           HN       GLY   8  -6.608  -5.505 -15.114
   45   1HA   GLY   8          1HA       GLY   8  -8.634  -6.521 -13.491
   46   2HA   GLY   8          2HA       GLY   8  -8.393  -4.849 -13.026
   47    H    GLN   9           HN       GLN   9  -9.190  -7.041 -15.751
   48    HA   GLN   9           HA       GLN   9 -10.615  -4.806 -16.931
   49   1HB   GLN   9          2HB       GLN   9  -9.869  -5.587 -19.218
   50   2HB   GLN   9          3HB       GLN   9  -8.591  -4.889 -18.243
   51   1HG   GLN   9          2HG       GLN   9  -7.413  -6.836 -18.222
   52   2HG   GLN   9          3HG       GLN   9  -8.817  -7.767 -17.738
   53   1HE2  GLN   9          1HE2      GLN   9  -9.597  -9.170 -19.113
   54   2HE2  GLN   9          2HE2      GLN   9  -9.353  -9.205 -20.828
   55    H    PHE  10           HN       PHE  10 -11.357  -7.177 -15.248
   56    HA   PHE  10           HA       PHE  10 -12.510  -9.116 -16.955
   57   1HB   PHE  10          2HB       PHE  10 -13.519  -9.854 -14.794
   58   2HB   PHE  10          3HB       PHE  10 -11.843  -9.417 -14.530
   59    HD1  PHE  10           HD1      PHE  10 -13.042  -6.331 -14.937
   60    HD2  PHE  10           HD2      PHE  10 -13.538  -9.568 -12.239
   61    HE1  PHE  10           HE1      PHE  10 -13.743  -4.725 -13.140
   62    HE2  PHE  10           HE2      PHE  10 -14.240  -7.962 -10.441
   63    HZ   PHE  10           HZ       PHE  10 -14.334  -5.560 -10.913
   64    H    ARG  11           HN       ARG  11 -15.116  -9.358 -15.661
   65    HA   ARG  11           HA       ARG  11 -16.399  -7.101 -16.976
   66   1HB   ARG  11          2HB       ARG  11 -16.748  -9.925 -17.299
   67   2HB   ARG  11          3HB       ARG  11 -18.196  -9.353 -16.497
   68   1HG   ARG  11          2HG       ARG  11 -17.114  -7.830 -18.884
   69   2HG   ARG  11          3HG       ARG  11 -18.037  -9.297 -19.144
   70   1HD   ARG  11          2HD       ARG  11 -19.256  -7.383 -17.201
   71   2HD   ARG  11          3HD       ARG  11 -19.156  -6.793 -18.848
   72    HE   ARG  11           HE       ARG  11 -20.147  -9.437 -19.012
   73   1HH1  ARG  11          1HH1      ARG  11 -23.550  -8.802 -18.726
   74   1HH2  ARG  11          2HH2      ARG  11 -21.188  -6.343 -17.636
   75   2HH2  ARG  11          1HH2      ARG  11 -22.876  -6.699 -17.793
   76    H    CYS  12           HN       CYS  12 -15.406  -7.612 -14.058
   77    HA   CYS  12           HA       CYS  12 -16.067  -6.868 -12.087
   78   1HB   CYS  12          2HB       CYS  12 -17.564  -5.303 -13.449
   79   2HB   CYS  12          3HB       CYS  12 -18.870  -6.421 -13.107
   80    H    SER  13           HN       SER  13 -15.763  -9.490 -12.315
   81    HA   SER  13           HA       SER  13 -17.985 -10.527 -10.797
   82   1HB   SER  13          2HB       SER  13 -17.623 -12.731 -12.258
   83   2HB   SER  13          3HB       SER  13 -18.746 -11.483 -12.760
   84    HG   SER  13           HG       SER  13 -16.386 -12.326 -13.962
   85    H    GLU  14           HN       GLU  14 -14.874  -9.758 -10.835
   86    HA   GLU  14           HA       GLU  14 -14.130 -11.383  -8.790
   87   1HB   GLU  14          2HB       GLU  14 -12.347 -12.801 -10.040
   88   2HB   GLU  14          3HB       GLU  14 -14.010 -13.350 -10.086
   89   1HG   GLU  14          2HG       GLU  14 -14.286 -12.147 -12.308
   90   2HG   GLU  14          3HG       GLU  14 -12.576 -11.763 -12.267
   91    HE2  GLU  14           HE2      GLU  14 -11.613 -15.069 -12.959
   92    HA   PRO  15           HA       PRO  15 -11.371  -7.977  -9.301
   93   1HB   PRO  15          2HB       PRO  15 -10.764  -7.658  -6.655
   94   2HB   PRO  15          3HB       PRO  15 -12.144  -6.896  -7.421
   95   1HG   PRO  15          2HG       PRO  15 -12.087  -9.222  -5.598
   96   2HG   PRO  15          3HG       PRO  15 -13.442  -8.196  -6.027
   97   1HD   PRO  15          2HD       PRO  15 -12.911 -10.838  -7.009
   98   2HD   PRO  15          3HD       PRO  15 -14.200  -9.768  -7.524
   99    HA   PRO  16           HA       PRO  16  -7.875 -10.503  -9.438
  100   1HB   PRO  16          2HB       PRO  16  -6.512  -9.111 -11.354
  101   2HB   PRO  16          3HB       PRO  16  -7.667 -10.375 -11.727
  102   1HG   PRO  16          2HG       PRO  16  -7.982  -7.446 -11.971
  103   2HG   PRO  16          3HG       PRO  16  -8.928  -8.718 -12.718
  104   1HD   PRO  16          2HD       PRO  16  -9.685  -7.114 -10.463
  105   2HD   PRO  16          3HD       PRO  16 -10.579  -8.462 -11.138
  106    H    GLY  17           HN       GLY  17  -7.481  -6.994  -9.586
  107   1HA   GLY  17          1HA       GLY  17  -5.787  -7.169  -7.211
  108   2HA   GLY  17          2HA       GLY  17  -5.045  -6.555  -8.676
  109    H    ALA  18           HN       ALA  18  -7.227  -5.883  -6.019
  110    HA   ALA  18           HA       ALA  18  -8.418  -3.564  -7.159
  111   1HB   ALA  18          1HB       ALA  18  -8.418  -5.052  -4.599
  112   2HB   ALA  18          2HB       ALA  18  -8.655  -3.296  -4.434
  113   3HB   ALA  18          3HB       ALA  18  -9.756  -4.250  -5.457
  114    H    HIS  19           HN       HIS  19  -7.593  -1.534  -7.340
  115    HA   HIS  19           HA       HIS  19  -5.961  -0.337  -5.478
  116   1HB   HIS  19          2HB       HIS  19  -4.514  -2.130  -7.234
  117   2HB   HIS  19          3HB       HIS  19  -3.983  -0.478  -7.483
  118    HD1  HIS  19           HD1      HIS  19  -3.165  -3.309  -5.508
  119    HD2  HIS  19           HD2      HIS  19  -3.502   0.792  -4.695
  120    HE1  HIS  19           HE1      HIS  19  -1.834  -2.893  -3.372
  121    H    GLY  20           HN       GLY  20  -7.593   1.238  -6.002
  122   1HA   GLY  20          1HA       GLY  20  -8.345   2.206  -8.415
  123   2HA   GLY  20          2HA       GLY  20  -8.171   3.192  -6.977
  124    H    GLU  21           HN       GLU  21  -5.156   2.480  -6.903
  125    HA   GLU  21           HA       GLU  21  -4.151   4.735  -7.892
  126   1HB   GLU  21          2HB       GLU  21  -3.076   2.620  -6.641
  127   2HB   GLU  21          3HB       GLU  21  -2.486   2.250  -8.249
  128   1HG   GLU  21          2HG       GLU  21  -0.776   3.592  -7.237
  129   2HG   GLU  21          3HG       GLU  21  -1.593   4.654  -8.366
  130    HE2  GLU  21           HE2      GLU  21  -2.691   6.487  -7.344
  131    H    CYS  22           HN       CYS  22  -5.175   1.901  -9.734
  132    HA   CYS  22           HA       CYS  22  -4.475   3.356 -12.163
  133   1HB   CYS  22          2HB       CYS  22  -2.820   1.468 -11.572
  134   2HB   CYS  22          3HB       CYS  22  -4.120   0.371 -11.993
  135    H    TYR  23           HN       TYR  23  -5.897   0.112 -11.331
  136    HA   TYR  23           HA       TYR  23  -8.198   0.759 -12.975
  137   1HB   TYR  23          2HB       TYR  23  -7.108  -1.662 -11.420
  138   2HB   TYR  23          3HB       TYR  23  -8.652  -1.732 -12.246
  139    HD1  TYR  23           HD1      TYR  23  -8.780  -1.863 -14.672
  140    HD2  TYR  23           HD2      TYR  23  -4.999  -1.532 -12.698
  141    HE1  TYR  23           HE1      TYR  23  -7.592  -2.521 -16.821
  142    HE2  TYR  23           HE2      TYR  23  -3.824  -2.190 -14.854
  143    HH   TYR  23           HH       TYR  23  -4.076  -2.949 -16.878
  144    HA   PRO  24           HA       PRO  24 -10.809   1.566  -9.620
  145   1HB   PRO  24          2HB       PRO  24 -13.255   1.017 -10.710
  146   2HB   PRO  24          3HB       PRO  24 -12.395   2.519 -10.990
  147   1HG   PRO  24          2HG       PRO  24 -12.751   0.218 -12.812
  148   2HG   PRO  24          3HG       PRO  24 -12.281   1.862 -13.198
  149   1HD   PRO  24          2HD       PRO  24 -10.557  -0.427 -13.052
  150   2HD   PRO  24          3HD       PRO  24 -10.072   1.235 -13.323
  151    H    GLN  25           HN       GLN  25  -9.895  -1.371 -10.398
  152    HA   GLN  25           HA       GLN  25 -11.768  -3.086  -9.500
  153   1HB   GLN  25          2HB       GLN  25  -8.751  -3.162  -9.067
  154   2HB   GLN  25          3HB       GLN  25  -9.805  -4.532  -8.778
  155   1HG   GLN  25          2HG       GLN  25  -9.826  -3.093 -11.456
  156   2HG   GLN  25          3HG       GLN  25  -8.631  -4.327 -11.112
  157   1HE2  GLN  25          1HE2      GLN  25 -10.312  -4.705 -13.161
  158   2HE2  GLN  25          2HE2      GLN  25 -11.478  -5.943 -12.829
  159    H    ASP  26           HN       ASP  26 -10.047  -0.644  -7.681
  160    HA   ASP  26           HA       ASP  26  -9.960  -1.706  -5.194
  161   1HB   ASP  26          2HB       ASP  26  -9.452   0.738  -6.260
  162   2HB   ASP  26          3HB       ASP  26 -10.973   1.114  -5.475
  163    HD2  ASP  26           HD2      ASP  26  -9.541   2.516  -3.936
  164    H    TRP  27           HN       TRP  27 -12.706  -0.257  -7.024
  165    HA   TRP  27           HA       TRP  27 -14.563   0.096  -5.066
  166   1HB   TRP  27          2HB       TRP  27 -14.806  -0.798  -7.929
  167   2HB   TRP  27          3HB       TRP  27 -16.220  -0.586  -6.916
  168    HD1  TRP  27           HD1      TRP  27 -13.093   1.670  -7.654
  169    HE1  TRP  27           HE1      TRP  27 -13.846   4.163  -8.078
  170    HE3  TRP  27           HE3      TRP  27 -18.066   0.835  -6.996
  171    HZ2  TRP  27           HZ2      TRP  27 -16.379   5.477  -8.090
  172    HZ3  TRP  27           HZ3      TRP  27 -19.611   2.777  -7.232
  173    HH2  TRP  27           HH2      TRP  27 -18.840   5.036  -7.759
  174    H    LEU  28           HN       LEU  28 -13.344  -2.921  -6.563
  175    HA   LEU  28           HA       LEU  28 -15.342  -4.580  -5.423
  176   1HB   LEU  28          2HB       LEU  28 -12.647  -5.106  -6.668
  177   2HB   LEU  28          3HB       LEU  28 -13.669  -6.385  -6.044
  178    HG   LEU  28           HG       LEU  28 -15.448  -5.137  -7.661
  179   1HD1  LEU  28          1HD1      LEU  28 -13.272  -3.695  -8.303
  180   2HD1  LEU  28          2HD1      LEU  28 -13.095  -5.030  -9.467
  181   3HD1  LEU  28          3HD1      LEU  28 -14.585  -4.057  -9.450
  182   1HD2  LEU  28          1HD2      LEU  28 -14.604  -7.579  -7.515
  183   2HD2  LEU  28          2HD2      LEU  28 -15.289  -6.993  -9.050
  184   3HD2  LEU  28          3HD2      LEU  28 -13.524  -7.120  -8.854
  185    H    CYS  29           HN       CYS  29 -15.118  -6.080  -3.649
  186    HA   CYS  29           HA       CYS  29 -14.708  -6.471  -1.521
  187   1HB   CYS  29          2HB       CYS  29 -12.144  -6.578  -2.901
  188   2HB   CYS  29          3HB       CYS  29 -11.954  -6.213  -1.198
  189    H    ASP  30           HN       ASP  30 -15.832  -4.414  -0.944
  190    HA   ASP  30           HA       ASP  30 -13.946  -2.623   0.337
  191   1HB   ASP  30          2HB       ASP  30 -15.675  -0.751  -0.322
  192   2HB   ASP  30          3HB       ASP  30 -14.468  -1.251  -1.490
  193    H    GLY  31           HN       GLY  31 -17.515  -3.114  -0.281
  194   1HA   GLY  31          1HA       GLY  31 -18.150  -3.992   2.301
  195   2HA   GLY  31          2HA       GLY  31 -18.364  -2.253   2.258
  196    H    HIS  32           HN       HIS  32 -19.081  -2.085  -0.605
  197    HA   HIS  32           HA       HIS  32 -21.661  -3.471  -0.503
  198   1HB   HIS  32          2HB       HIS  32 -21.019  -0.608  -0.836
  199   2HB   HIS  32          3HB       HIS  32 -22.162  -1.237  -2.007
  200    HD1  HIS  32           HD1      HIS  32 -24.557  -1.437  -1.256
  201    HD2  HIS  32           HD2      HIS  32 -21.893  -1.079   1.964
  202    HE1  HIS  32           HE1      HIS  32 -25.995  -1.211   0.840
  203    HA   PRO  33           HA       PRO  33 -20.287  -4.978  -4.344
  204   1HB   PRO  33          2HB       PRO  33 -22.502  -6.431  -5.014
  205   2HB   PRO  33          3HB       PRO  33 -21.243  -7.036  -3.956
  206   1HG   PRO  33          2HG       PRO  33 -23.947  -6.070  -3.255
  207   2HG   PRO  33          3HG       PRO  33 -22.853  -7.055  -2.305
  208   1HD   PRO  33          2HD       PRO  33 -23.385  -4.258  -1.957
  209   2HD   PRO  33          3HD       PRO  33 -22.206  -5.217  -1.084
  210    H    ASP  34           HN       ASP  34 -20.276  -4.476  -6.512
  211    HA   ASP  34           HA       ASP  34 -22.584  -2.940  -7.342
  212   1HB   ASP  34          2HB       ASP  34 -19.803  -1.970  -8.053
  213   2HB   ASP  34          3HB       ASP  34 -21.312  -1.080  -8.104
  214    H    CYS  35           HN       CYS  35 -21.699  -5.675  -7.915
  215    HA   CYS  35           HA       CYS  35 -20.745  -5.382 -10.669
  216   1HB   CYS  35          2HB       CYS  35 -20.340  -7.523  -8.610
  217   2HB   CYS  35          3HB       CYS  35 -20.303  -7.942 -10.311
  218    H    ASP  36           HN       ASP  36 -21.583  -7.774 -11.767
  219    HA   ASP  36           HA       ASP  36 -24.058  -7.386 -12.562
  220   1HB   ASP  36          2HB       ASP  36 -22.505  -9.215 -13.323
  221   2HB   ASP  36          3HB       ASP  36 -22.891 -10.125 -11.877
  222    HD2  ASP  36           HD2      ASP  36 -25.035  -8.411 -14.000
  223    H    ASP  37           HN       ASP  37 -23.072  -9.383  -9.683
  224    HA   ASP  37           HA       ASP  37 -25.820  -9.113  -8.743
  225   1HB   ASP  37          2HB       ASP  37 -24.552 -11.478  -9.332
  226   2HB   ASP  37          3HB       ASP  37 -24.097 -11.303  -7.649
  227    HD2  ASP  37           HD2      ASP  37 -27.017 -11.632  -9.658
  228    H    GLY  38           HN       GLY  38 -22.375  -9.768  -7.732
  229   1HA   GLY  38          1HA       GLY  38 -21.612  -7.810  -6.240
  230   2HA   GLY  38          2HA       GLY  38 -22.888  -8.386  -5.185
  231    H    ARG  39           HN       ARG  39 -20.188  -9.822  -7.168
  232    HA   ARG  39           HA       ARG  39 -19.678 -11.532  -4.870
  233   1HB   ARG  39          2HB       ARG  39 -18.411 -12.946  -6.666
  234   2HB   ARG  39          3HB       ARG  39 -20.163 -12.970  -6.701
  235   1HG   ARG  39          2HG       ARG  39 -20.185 -11.247  -8.483
  236   2HG   ARG  39          3HG       ARG  39 -18.440 -11.110  -8.406
  237   1HD   ARG  39          2HD       ARG  39 -18.294 -12.770  -9.949
  238   2HD   ARG  39          3HD       ARG  39 -18.930 -13.885  -8.756
  239    HE   ARG  39           HE       ARG  39 -21.216 -12.672  -9.704
  240   1HH1  ARG  39          1HH1      ARG  39 -21.776 -14.243 -12.751
  241   1HH2  ARG  39          2HH2      ARG  39 -18.493 -14.258 -11.324
  242   2HH2  ARG  39          1HH2      ARG  39 -19.442 -14.781 -12.676
  243    H    ASP  40           HN       ASP  40 -18.613  -8.775  -6.498
  244    HA   ASP  40           HA       ASP  40 -15.903  -9.163  -6.732
  245   1HB   ASP  40          2HB       ASP  40 -15.847  -6.590  -6.335
  246   2HB   ASP  40          3HB       ASP  40 -16.759  -7.189  -7.706
  247    H    GLU  41           HN       GLU  41 -17.951  -9.054  -3.947
  248    HA   GLU  41           HA       GLU  41 -15.626  -9.017  -2.253
  249   1HB   GLU  41          2HB       GLU  41 -16.429  -7.301  -0.760
  250   2HB   GLU  41          3HB       GLU  41 -16.452  -6.629  -2.378
  251   1HG   GLU  41          2HG       GLU  41 -18.964  -7.605  -2.364
  252   2HG   GLU  41          3HG       GLU  41 -18.766  -7.455  -0.630
  253    H    TRP  42           HN       TRP  42 -17.516 -11.060  -3.206
  254    HA   TRP  42           HA       TRP  42 -19.585 -11.623  -1.505
  255   1HB   TRP  42          2HB       TRP  42 -19.326 -12.897  -3.465
  256   2HB   TRP  42          3HB       TRP  42 -17.694 -13.381  -3.050
  257    HD1  TRP  42           HD1      TRP  42 -17.444 -15.590  -1.575
  258    HE1  TRP  42           HE1      TRP  42 -19.058 -17.429  -0.589
  259    HE3  TRP  42           HE3      TRP  42 -21.751 -13.043  -2.478
  260    HZ2  TRP  42           HZ2      TRP  42 -21.892 -17.609  -0.303
  261    HZ3  TRP  42           HZ3      TRP  42 -23.898 -14.122  -1.815
  262    HH2  TRP  42           HH2      TRP  42 -24.013 -16.325  -0.762
  263    H    GLY  43           HN       GLY  43 -16.626 -13.654  -1.271
  264   1HA   GLY  43          1HA       GLY  43 -16.952 -13.890   1.573
  265   2HA   GLY  43          2HA       GLY  43 -15.722 -14.629   0.567
  266    H    CYS  44           HN       CYS  44 -16.664 -11.167   1.180
  267    HA   CYS  44           HA       CYS  44 -13.881 -10.736   1.994
  268   1HB   CYS  44          2HB       CYS  44 -14.983  -9.703  -0.252
  269   2HB   CYS  44          3HB       CYS  44 -15.407  -8.448   0.894
  270    H    GLY  45           HN       GLY  45 -17.373  -9.921   2.330
  271   1HA   GLY  45          1HA       GLY  45 -17.354  -8.009   4.275
  272   2HA   GLY  45          2HA       GLY  45 -18.562  -9.271   4.130
  273    H    THR  46           HN       THR  46 -15.758  -8.108   5.894
  274    HA   THR  46           HA       THR  46 -16.114 -10.329   7.788
  275    HB   THR  46           HB       THR  46 -14.065 -10.816   6.569
  276    HG1  THR  46           HG1      THR  46 -12.657 -10.566   8.417
  277   1HG2  THR  46          1HG2      THR  46 -13.804  -8.339   5.740
  278   2HG2  THR  46          2HG2      THR  46 -13.010  -8.054   7.307
  279   3HG2  THR  46          3HG2      THR  46 -12.321  -9.228   6.160
  280    H    SER  47           HN       SER  47 -16.162  -9.802   9.941
  281    HA   SER  47           HA       SER  47 -16.278  -6.945  10.407
  282   1HB   SER  47          2HB       SER  47 -18.132  -8.703  11.057
  283   2HB   SER  47          3HB       SER  47 -17.084  -9.069  12.412
  284    HG   SER  47           HG       SER  47 -17.441  -7.097  13.304
  Start of MODEL    3
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   1.404   0.226  -2.076
    3   2HA   GLY   1          2HA       GLY   1   2.827   0.787  -1.221
    4    H    SER   2           HN       SER   2   0.966  -2.342  -1.192
    5    HA   SER   2           HA       SER   2   2.867  -3.755  -2.599
    6   1HB   SER   2          2HB       SER   2   3.908  -5.096  -0.760
    7   2HB   SER   2          3HB       SER   2   4.390  -3.411  -0.728
    8    HG   SER   2           HG       SER   2   2.848  -3.027   0.969
    9    H    SER   3           HN       SER   3   1.779  -5.566  -3.318
   10    HA   SER   3           HA       SER   3   0.252  -7.094  -3.510
   11   1HB   SER   3          2HB       SER   3   0.753  -7.109  -0.552
   12   2HB   SER   3          3HB       SER   3  -0.661  -7.981  -1.111
   13    HG   SER   3           HG       SER   3   2.036  -8.363  -2.104
   14    H    ARG   4           HN       ARG   4  -1.114  -5.284  -4.406
   15    HA   ARG   4           HA       ARG   4  -3.269  -4.607  -2.578
   16   1HB   ARG   4          2HB       ARG   4  -1.922  -3.184  -4.838
   17   2HB   ARG   4          3HB       ARG   4  -3.662  -2.984  -4.780
   18   1HG   ARG   4          2HG       ARG   4  -1.822  -2.507  -2.389
   19   2HG   ARG   4          3HG       ARG   4  -2.356  -1.238  -3.472
   20   1HD   ARG   4          2HD       ARG   4  -4.500  -1.212  -2.612
   21   2HD   ARG   4          3HD       ARG   4  -4.552  -2.951  -2.399
   22    HE   ARG   4           HE       ARG   4  -3.801  -2.673  -0.203
   23   1HH1  ARG   4          1HH1      ARG   4  -2.505   0.063   1.500
   24   1HH2  ARG   4          2HH2      ARG   4  -3.036   0.263  -2.034
   25   2HH2  ARG   4          1HH2      ARG   4  -2.479   1.134  -0.644
   26    H    CYS   5           HN       CYS   5  -5.520  -4.594  -3.518
   27    HA   CYS   5           HA       CYS   5  -6.116  -5.604  -6.014
   28   1HB   CYS   5          2HB       CYS   5  -5.136  -7.693  -5.422
   29   2HB   CYS   5          3HB       CYS   5  -5.956  -7.726  -3.874
   30    HA   PRO   6           HA       PRO   6  -9.390  -3.879  -3.366
   31   1HB   PRO   6          2HB       PRO   6 -10.014  -1.715  -4.914
   32   2HB   PRO   6          3HB       PRO   6  -8.885  -1.643  -3.575
   33   1HG   PRO   6          2HG       PRO   6  -8.322  -1.654  -6.477
   34   2HG   PRO   6          3HG       PRO   6  -7.278  -1.162  -5.158
   35   1HD   PRO   6          2HD       PRO   6  -7.139  -3.618  -6.633
   36   2HD   PRO   6          3HD       PRO   6  -6.172  -3.176  -5.240
   37    HA   PRO   7           HA       PRO   7 -12.743  -5.340  -5.527
   38   1HB   PRO   7          2HB       PRO   7 -14.851  -3.751  -4.822
   39   2HB   PRO   7          3HB       PRO   7 -14.227  -5.026  -3.794
   40   1HG   PRO   7          2HG       PRO   7 -13.887  -2.101  -3.533
   41   2HG   PRO   7          3HG       PRO   7 -13.648  -3.346  -2.323
   42   1HD   PRO   7          2HD       PRO   7 -11.606  -1.954  -3.779
   43   2HD   PRO   7          3HD       PRO   7 -11.374  -3.279  -2.655
   44    H    GLY   8           HN       GLY   8 -13.251  -5.480  -7.620
   45   1HA   GLY   8          1HA       GLY   8 -14.361  -3.320  -9.024
   46   2HA   GLY   8          2HA       GLY   8 -12.634  -3.337  -9.323
   47    H    GLN   9           HN       GLN   9 -15.627  -5.337  -9.467
   48    HA   GLN   9           HA       GLN   9 -14.328  -6.814 -11.618
   49   1HB   GLN   9          2HB       GLN   9 -14.761  -8.039  -9.315
   50   2HB   GLN   9          3HB       GLN   9 -16.426  -8.102  -9.858
   51   1HG   GLN   9          2HG       GLN   9 -14.778  -8.892 -12.081
   52   2HG   GLN   9          3HG       GLN   9 -14.200  -9.764 -10.675
   53   1HE2  GLN   9          1HE2      GLN   9 -15.137 -11.380 -12.383
   54   2HE2  GLN   9          2HE2      GLN   9 -16.745 -11.941 -12.069
   55    H    PHE  10           HN       PHE  10 -16.016  -4.361 -11.656
   56    HA   PHE  10           HA       PHE  10 -18.660  -4.959 -12.271
   57   1HB   PHE  10          2HB       PHE  10 -18.542  -2.680 -13.323
   58   2HB   PHE  10          3HB       PHE  10 -17.681  -2.689 -11.797
   59    HD1  PHE  10           HD1      PHE  10 -15.440  -4.446 -13.495
   60    HD2  PHE  10           HD2      PHE  10 -17.153  -0.568 -13.669
   61    HE1  PHE  10           HE1      PHE  10 -13.383  -3.589 -14.649
   62    HE2  PHE  10           HE2      PHE  10 -15.096   0.290 -14.823
   63    HZ   PHE  10           HZ       PHE  10 -13.235  -1.231 -15.300
   64    H    ARG  11           HN       ARG  11 -18.876  -3.582 -14.875
   65    HA   ARG  11           HA       ARG  11 -17.939  -5.794 -16.519
   66   1HB   ARG  11          2HB       ARG  11 -20.559  -4.728 -16.156
   67   2HB   ARG  11          3HB       ARG  11 -20.064  -4.196 -17.750
   68   1HG   ARG  11          2HG       ARG  11 -19.678  -7.087 -16.895
   69   2HG   ARG  11          3HG       ARG  11 -21.224  -6.537 -17.510
   70   1HD   ARG  11          2HD       ARG  11 -20.247  -5.884 -19.641
   71   2HD   ARG  11          3HD       ARG  11 -18.617  -6.083 -19.029
   72    HE   ARG  11           HE       ARG  11 -18.791  -8.407 -19.341
   73   1HH1  ARG  11          1HH1      ARG  11 -21.427 -10.372 -20.461
   74   1HH2  ARG  11          2HH2      ARG  11 -22.010  -6.947 -19.599
   75   2HH2  ARG  11          1HH2      ARG  11 -22.758  -8.400 -20.174
   76    H    CYS  12           HN       CYS  12 -16.724  -3.033 -15.709
   77    HA   CYS  12           HA       CYS  12 -15.315  -1.657 -16.708
   78   1HB   CYS  12          2HB       CYS  12 -15.199  -3.606 -18.470
   79   2HB   CYS  12          3HB       CYS  12 -16.094  -2.487 -19.479
   80    H    SER  13           HN       SER  13 -17.728  -0.746 -15.806
   81    HA   SER  13           HA       SER  13 -18.408   1.196 -17.855
   82   1HB   SER  13          2HB       SER  13 -20.148  -0.869 -16.884
   83   2HB   SER  13          3HB       SER  13 -20.738   0.646 -16.230
   84    HG   SER  13           HG       SER  13 -21.717   0.508 -18.219
   85    H    GLU  14           HN       GLU  14 -16.905   0.746 -15.046
   86    HA   GLU  14           HA       GLU  14 -17.073   3.333 -14.211
   87   1HB   GLU  14          2HB       GLU  14 -18.315   2.897 -11.957
   88   2HB   GLU  14          3HB       GLU  14 -19.272   3.185 -13.396
   89   1HG   GLU  14          2HG       GLU  14 -19.335   0.623 -13.714
   90   2HG   GLU  14          3HG       GLU  14 -18.649   0.493 -12.107
   91    HE2  GLU  14           HE2      GLU  14 -21.802   0.668 -10.785
   92    HA   PRO  15           HA       PRO  15 -13.657   1.290 -12.339
   93   1HB   PRO  15          2HB       PRO  15 -12.094   3.505 -11.993
   94   2HB   PRO  15          3HB       PRO  15 -12.122   2.575 -13.478
   95   1HG   PRO  15          2HG       PRO  15 -13.344   5.208 -12.917
   96   2HG   PRO  15          3HG       PRO  15 -12.994   4.467 -14.466
   97   1HD   PRO  15          2HD       PRO  15 -15.561   4.673 -13.203
   98   2HD   PRO  15          3HD       PRO  15 -15.191   3.832 -14.696
   99    HA   PRO  16           HA       PRO  16 -14.988   2.028  -8.301
  100   1HB   PRO  16          2HB       PRO  16 -14.253  -0.382  -7.244
  101   2HB   PRO  16          3HB       PRO  16 -15.807  -0.103  -8.003
  102   1HG   PRO  16          2HG       PRO  16 -13.463  -1.559  -9.063
  103   2HG   PRO  16          3HG       PRO  16 -15.131  -1.626  -9.597
  104   1HD   PRO  16          2HD       PRO  16 -12.974  -0.235 -10.876
  105   2HD   PRO  16          3HD       PRO  16 -14.662  -0.208 -11.344
  106    H    GLY  17           HN       GLY  17 -12.035   0.086  -8.451
  107   1HA   GLY  17          1HA       GLY  17 -10.637   2.303  -7.118
  108   2HA   GLY  17          2HA       GLY  17 -10.652   0.723  -6.361
  109    H    ALA  18           HN       ALA  18  -9.616   2.577  -9.246
  110    HA   ALA  18           HA       ALA  18  -8.477   0.711 -10.810
  111   1HB   ALA  18          1HB       ALA  18  -7.949   3.545 -10.122
  112   2HB   ALA  18          2HB       ALA  18  -6.576   2.688 -10.860
  113   3HB   ALA  18          3HB       ALA  18  -8.136   2.769 -11.712
  114    H    HIS  19           HN       HIS  19  -6.815  -0.750 -10.725
  115    HA   HIS  19           HA       HIS  19  -4.524  -0.456  -9.236
  116   1HB   HIS  19          2HB       HIS  19  -6.759  -1.208  -7.603
  117   2HB   HIS  19          3HB       HIS  19  -5.653  -2.565  -7.687
  118    HD1  HIS  19           HD1      HIS  19  -6.025   0.868  -6.270
  119    HD2  HIS  19           HD2      HIS  19  -3.039  -2.060  -6.600
  120    HE1  HIS  19           HE1      HIS  19  -4.173   1.550  -4.652
  121    H    GLY  20           HN       GLY  20  -3.831  -1.220 -11.322
  122   1HA   GLY  20          1HA       GLY  20  -4.697  -3.549 -12.562
  123   2HA   GLY  20          2HA       GLY  20  -3.125  -2.800 -12.753
  124    H    GLU  21           HN       GLU  21  -3.002  -3.166  -9.559
  125    HA   GLU  21           HA       GLU  21  -1.299  -5.320  -9.632
  126   1HB   GLU  21          2HB       GLU  21  -1.794  -3.402  -7.825
  127   2HB   GLU  21          3HB       GLU  21  -2.768  -4.657  -7.086
  128   1HG   GLU  21          2HG       GLU  21  -0.923  -5.714  -6.294
  129   2HG   GLU  21          3HG       GLU  21  -0.218  -5.793  -7.896
  130    HE2  GLU  21           HE2      GLU  21   1.338  -3.478  -5.267
  131    H    CYS  22           HN       CYS  22  -4.748  -5.235  -9.743
  132    HA   CYS  22           HA       CYS  22  -4.781  -8.120  -9.399
  133   1HB   CYS  22          2HB       CYS  22  -5.447  -6.976  -7.228
  134   2HB   CYS  22          3HB       CYS  22  -6.864  -6.385  -8.072
  135    H    TYR  23           HN       TYR  23  -7.232  -5.450  -9.739
  136    HA   TYR  23           HA       TYR  23  -8.321  -6.807 -12.057
  137   1HB   TYR  23          2HB       TYR  23  -8.963  -4.430 -10.233
  138   2HB   TYR  23          3HB       TYR  23  -9.855  -4.625 -11.729
  139    HD1  TYR  23           HD1      TYR  23 -10.574  -7.328 -12.014
  140    HD2  TYR  23           HD2      TYR  23 -10.145  -5.124  -8.372
  141    HE1  TYR  23           HE1      TYR  23 -12.167  -8.931 -10.848
  142    HE2  TYR  23           HE2      TYR  23 -11.739  -6.734  -7.219
  143    HH   TYR  23           HH       TYR  23 -13.147  -9.468  -9.007
  144    HA   PRO  24           HA       PRO  24  -6.378  -4.176 -14.899
  145   1HB   PRO  24          2HB       PRO  24  -7.916  -4.649 -17.107
  146   2HB   PRO  24          3HB       PRO  24  -6.625  -5.716 -16.592
  147   1HG   PRO  24          2HG       PRO  24  -9.547  -6.087 -16.341
  148   2HG   PRO  24          3HG       PRO  24  -8.275  -7.287 -16.232
  149   1HD   PRO  24          2HD       PRO  24  -9.735  -6.131 -14.050
  150   2HD   PRO  24          3HD       PRO  24  -8.386  -7.243 -13.936
  151    H    GLN  25           HN       GLN  25  -9.050  -3.439 -13.335
  152    HA   GLN  25           HA       GLN  25 -10.273  -1.562 -14.930
  153   1HB   GLN  25          2HB       GLN  25 -11.371  -0.834 -12.953
  154   2HB   GLN  25          3HB       GLN  25 -11.022  -2.527 -12.664
  155   1HG   GLN  25          2HG       GLN  25  -8.726  -1.009 -11.804
  156   2HG   GLN  25          3HG       GLN  25 -10.150  -0.231 -11.141
  157   1HE2  GLN  25          1HE2      GLN  25  -8.164  -1.566  -9.660
  158   2HE2  GLN  25          2HE2      GLN  25  -8.867  -2.932  -8.858
  159    H    ASP  26           HN       ASP  26  -7.087  -1.585 -13.689
  160    HA   ASP  26           HA       ASP  26  -6.714   1.053 -13.008
  161   1HB   ASP  26          2HB       ASP  26  -5.143  -1.146 -13.036
  162   2HB   ASP  26          3HB       ASP  26  -4.566  -0.423 -14.524
  163    HD2  ASP  26           HD2      ASP  26  -2.995   1.279 -14.181
  164    H    TRP  27           HN       TRP  27  -7.321  -0.515 -16.077
  165    HA   TRP  27           HA       TRP  27  -5.975   1.311 -17.766
  166   1HB   TRP  27          2HB       TRP  27  -8.217  -0.657 -18.225
  167   2HB   TRP  27          3HB       TRP  27  -7.530   0.328 -19.501
  168    HD1  TRP  27           HD1      TRP  27  -5.069  -1.043 -16.917
  169    HE1  TRP  27           HE1      TRP  27  -3.521  -2.919 -17.941
  170    HE3  TRP  27           HE3      TRP  27  -7.620  -1.494 -21.292
  171    HZ2  TRP  27           HZ2      TRP  27  -3.537  -4.349 -20.411
  172    HZ3  TRP  27           HZ3      TRP  27  -6.788  -3.154 -22.956
  173    HH2  TRP  27           HH2      TRP  27  -4.821  -4.553 -22.572
  174    H    LEU  28           HN       LEU  28  -8.944   1.334 -15.886
  175    HA   LEU  28           HA       LEU  28 -10.294   3.278 -17.459
  176   1HB   LEU  28          2HB       LEU  28 -10.664   2.182 -14.679
  177   2HB   LEU  28          3HB       LEU  28 -11.668   3.472 -15.312
  178    HG   LEU  28           HG       LEU  28 -11.993   1.738 -17.320
  179   1HD1  LEU  28          1HD1      LEU  28 -10.408   0.112 -16.224
  180   2HD1  LEU  28          2HD1      LEU  28 -11.642  -0.126 -14.964
  181   3HD1  LEU  28          3HD1      LEU  28 -12.006  -0.543 -16.655
  182   1HD2  LEU  28          1HD2      LEU  28 -13.719   2.794 -15.836
  183   2HD2  LEU  28          2HD2      LEU  28 -14.099   1.141 -16.374
  184   3HD2  LEU  28          3HD2      LEU  28 -13.509   1.424 -14.719
  185    H    CYS  29           HN       CYS  29 -10.679   5.527 -16.893
  186    HA   CYS  29           HA       CYS  29  -9.857   7.540 -16.527
  187   1HB   CYS  29          2HB       CYS  29 -10.042   6.185 -13.971
  188   2HB   CYS  29          3HB       CYS  29  -8.803   7.424 -13.932
  189    H    ASP  30           HN       ASP  30  -8.121   7.155 -18.159
  190    HA   ASP  30           HA       ASP  30  -5.538   7.262 -16.847
  191   1HB   ASP  30          2HB       ASP  30  -4.704   5.927 -18.960
  192   2HB   ASP  30          3HB       ASP  30  -5.390   5.050 -17.607
  193    H    GLY  31           HN       GLY  31  -7.100   7.233 -20.152
  194   1HA   GLY  31          1HA       GLY  31  -6.757   9.962 -20.673
  195   2HA   GLY  31          2HA       GLY  31  -5.359   9.115 -21.304
  196    H    HIS  32           HN       HIS  32  -6.775   6.579 -21.893
  197    HA   HIS  32           HA       HIS  32  -8.415   7.540 -24.124
  198   1HB   HIS  32          2HB       HIS  32  -6.151   5.648 -24.000
  199   2HB   HIS  32          3HB       HIS  32  -7.528   5.075 -24.921
  200    HD1  HIS  32           HD1      HIS  32  -8.365   6.766 -26.912
  201    HD2  HIS  32           HD2      HIS  32  -4.531   7.424 -25.341
  202    HE1  HIS  32           HE1      HIS  32  -7.134   8.216 -28.613
  203    HA   PRO  33           HA       PRO  33 -11.440   5.140 -22.086
  204   1HB   PRO  33          2HB       PRO  33 -13.547   5.777 -23.705
  205   2HB   PRO  33          3HB       PRO  33 -13.041   6.772 -22.354
  206   1HG   PRO  33          2HG       PRO  33 -12.634   7.228 -25.247
  207   2HG   PRO  33          3HG       PRO  33 -12.526   8.378 -23.928
  208   1HD   PRO  33          2HD       PRO  33 -10.338   7.161 -25.328
  209   2HD   PRO  33          3HD       PRO  33 -10.232   8.220 -23.935
  210    H    ASP  34           HN       ASP  34 -11.241   2.994 -22.124
  211    HA   ASP  34           HA       ASP  34 -11.997   1.825 -24.672
  212   1HB   ASP  34          2HB       ASP  34 -10.075   0.092 -23.463
  213   2HB   ASP  34          3HB       ASP  34  -9.928   0.957 -24.980
  214    H    CYS  35           HN       CYS  35 -13.954   1.929 -22.912
  215    HA   CYS  35           HA       CYS  35 -13.819  -0.581 -21.405
  216   1HB   CYS  35          2HB       CYS  35 -14.298   2.036 -20.426
  217   2HB   CYS  35          3HB       CYS  35 -15.828   1.184 -20.361
  218    H    ASP  36           HN       ASP  36 -16.664  -0.520 -20.754
  219    HA   ASP  36           HA       ASP  36 -17.757  -1.895 -22.720
  220   1HB   ASP  36          2HB       ASP  36 -18.690  -0.491 -20.414
  221   2HB   ASP  36          3HB       ASP  36 -19.787  -0.057 -21.709
  222    HD2  ASP  36           HD2      ASP  36 -21.577  -2.808 -20.976
  223    H    ASP  37           HN       ASP  37 -17.784   1.714 -22.355
  224    HA   ASP  37           HA       ASP  37 -18.464   1.854 -25.181
  225   1HB   ASP  37          2HB       ASP  37 -20.262   2.541 -23.277
  226   2HB   ASP  37          3HB       ASP  37 -19.360   4.043 -23.315
  227    HD2  ASP  37           HD2      ASP  37 -22.031   2.875 -24.436
  228    H    GLY  38           HN       GLY  38 -17.412   3.773 -22.259
  229   1HA   GLY  38          1HA       GLY  38 -14.909   4.410 -22.727
  230   2HA   GLY  38          2HA       GLY  38 -15.671   5.415 -23.944
  231    H    ARG  39           HN       ARG  39 -16.751   4.512 -20.595
  232    HA   ARG  39           HA       ARG  39 -16.839   7.374 -20.069
  233   1HB   ARG  39          2HB       ARG  39 -18.532   6.510 -18.201
  234   2HB   ARG  39          3HB       ARG  39 -19.080   6.721 -19.853
  235   1HG   ARG  39          2HG       ARG  39 -18.673   4.302 -20.310
  236   2HG   ARG  39          3HG       ARG  39 -18.088   4.082 -18.673
  237   1HD   ARG  39          2HD       ARG  39 -20.905   5.018 -19.411
  238   2HD   ARG  39          3HD       ARG  39 -20.484   3.387 -18.928
  239    HE   ARG  39           HE       ARG  39 -20.189   4.119 -16.688
  240   1HH1  ARG  39          1HH1      ARG  39 -20.932   7.203 -15.273
  241   1HH2  ARG  39          2HH2      ARG  39 -20.774   6.877 -18.834
  242   2HH2  ARG  39          1HH2      ARG  39 -21.060   7.986 -17.534
  243    H    ASP  40           HN       ASP  40 -15.298   4.404 -19.350
  244    HA   ASP  40           HA       ASP  40 -14.948   4.299 -16.711
  245   1HB   ASP  40          2HB       ASP  40 -12.486   3.616 -17.328
  246   2HB   ASP  40          3HB       ASP  40 -13.815   2.645 -17.930
  247    H    GLU  41           HN       GLU  41 -13.776   6.747 -18.992
  248    HA   GLU  41           HA       GLU  41 -12.597   8.155 -16.742
  249   1HB   GLU  41          2HB       GLU  41 -10.641   8.790 -17.995
  250   2HB   GLU  41          3HB       GLU  41 -10.792   7.050 -18.136
  251   1HG   GLU  41          2HG       GLU  41 -12.237   7.734 -20.319
  252   2HG   GLU  41          3HG       GLU  41 -11.243   9.174 -20.222
  253    H    TRP  42           HN       TRP  42 -15.235   8.416 -17.867
  254    HA   TRP  42           HA       TRP  42 -15.517  10.276 -19.865
  255   1HB   TRP  42          2HB       TRP  42 -17.435   9.175 -19.127
  256   2HB   TRP  42          3HB       TRP  42 -17.154   9.581 -17.446
  257    HD1  TRP  42           HD1      TRP  42 -17.335  12.086 -20.440
  258    HE1  TRP  42           HE1      TRP  42 -19.199  13.904 -20.012
  259    HE3  TRP  42           HE3      TRP  42 -19.028  10.084 -16.083
  260    HZ2  TRP  42           HZ2      TRP  42 -21.129  14.293 -17.946
  261    HZ3  TRP  42           HZ3      TRP  42 -20.905  11.245 -14.924
  262    HH2  TRP  42           HH2      TRP  42 -21.949  13.279 -15.788
  263    H    GLY  43           HN       GLY  43 -16.335  11.334 -16.539
  264   1HA   GLY  43          1HA       GLY  43 -15.247  13.942 -17.045
  265   2HA   GLY  43          2HA       GLY  43 -16.041  13.372 -15.590
  266    H    CYS  44           HN       CYS  44 -13.063  12.308 -17.395
  267    HA   CYS  44           HA       CYS  44 -11.638  12.583 -14.849
  268   1HB   CYS  44          2HB       CYS  44 -12.014  10.269 -16.249
  269   2HB   CYS  44          3HB       CYS  44 -10.478  10.808 -16.899
  270    H    GLY  45           HN       GLY  45 -12.196  13.923 -17.880
  271   1HA   GLY  45          1HA       GLY  45  -9.563  14.467 -18.794
  272   2HA   GLY  45          2HA       GLY  45 -11.046  15.266 -19.278
  273    H    THR  46           HN       THR  46  -8.330  15.266 -16.976
  274    HA   THR  46           HA       THR  46  -9.092  18.012 -16.230
  275    HB   THR  46           HB       THR  46  -9.487  16.381 -14.365
  276    HG1  THR  46           HG1      THR  46  -8.742  18.429 -13.691
  277   1HG2  THR  46          1HG2      THR  46  -7.997  14.638 -14.190
  278   2HG2  THR  46          2HG2      THR  46  -6.789  15.472 -15.197
  279   3HG2  THR  46          3HG2      THR  46  -6.898  15.832 -13.458
  280    H    SER  47           HN       SER  47  -7.480  19.562 -16.186
  281    HA   SER  47           HA       SER  47  -4.781  18.737 -16.537
  282   1HB   SER  47          2HB       SER  47  -6.238  18.983 -18.882
  283   2HB   SER  47          3HB       SER  47  -5.556  20.590 -18.725
  284    HG   SER  47           HG       SER  47  -4.147  18.070 -18.846
  Start of MODEL    4
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   3.011   0.538  -1.110
    3   2HA   GLY   1          2HA       GLY   1   2.330  -1.023  -1.520
    4    H    SER   2           HN       SER   2   2.262   2.431  -2.122
    5    HA   SER   2           HA       SER   2   0.583   1.912  -4.400
    6   1HB   SER   2          2HB       SER   2  -0.627   2.921  -2.141
    7   2HB   SER   2          3HB       SER   2  -0.161   4.405  -2.948
    8    HG   SER   2           HG       SER   2  -2.183   3.899  -3.764
    9    H    SER   3           HN       SER   3   2.452   4.299  -2.420
   10    HA   SER   3           HA       SER   3   3.581   5.245  -4.929
   11   1HB   SER   3          2HB       SER   3   1.833   6.758  -3.411
   12   2HB   SER   3          3HB       SER   3   3.378   7.268  -2.761
   13    HG   SER   3           HG       SER   3   4.002   7.505  -5.157
   14    H    ARG   4           HN       ARG   4   3.939   5.811  -1.344
   15    HA   ARG   4           HA       ARG   4   6.565   4.655  -1.516
   16   1HB   ARG   4          2HB       ARG   4   6.085   7.490  -0.464
   17   2HB   ARG   4          3HB       ARG   4   7.605   6.626  -0.343
   18   1HG   ARG   4          2HG       ARG   4   7.822   6.538  -2.788
   19   2HG   ARG   4          3HG       ARG   4   6.216   7.206  -3.000
   20   1HD   ARG   4          2HD       ARG   4   6.921   9.336  -1.944
   21   2HD   ARG   4          3HD       ARG   4   8.507   8.672  -1.603
   22    HE   ARG   4           HE       ARG   4   8.370   8.317  -4.304
   23   1HH1  ARG   4          1HH1      ARG   4   8.789  11.484  -5.666
   24   1HH2  ARG   4          2HH2      ARG   4   7.630  11.141  -2.297
   25   2HH2  ARG   4          1HH2      ARG   4   8.039  12.282  -3.534
   26    H    CYS   5           HN       CYS   5   4.945   3.138  -0.285
   27    HA   CYS   5           HA       CYS   5   5.593   3.156   2.394
   28   1HB   CYS   5          2HB       CYS   5   4.198   5.025   2.788
   29   2HB   CYS   5          3HB       CYS   5   2.901   4.376   1.803
   30    HA   PRO   6           HA       PRO   6   3.857  -0.578   0.470
   31   1HB   PRO   6          2HB       PRO   6   6.043  -2.191   0.772
   32   2HB   PRO   6          3HB       PRO   6   5.721  -1.276  -0.688
   33   1HG   PRO   6          2HG       PRO   6   7.706  -0.740   1.436
   34   2HG   PRO   6          3HG       PRO   6   7.651  -0.111  -0.199
   35   1HD   PRO   6          2HD       PRO   6   6.918   1.279   2.201
   36   2HD   PRO   6          3HD       PRO   6   6.753   1.866   0.557
   37    HA   PRO   7           HA       PRO   7   2.841  -2.675   4.020
   38   1HB   PRO   7          2HB       PRO   7   2.623  -5.302   3.302
   39   2HB   PRO   7          3HB       PRO   7   1.382  -4.111   2.966
   40   1HG   PRO   7          2HG       PRO   7   3.332  -5.331   1.108
   41   2HG   PRO   7          3HG       PRO   7   1.842  -4.486   0.737
   42   1HD   PRO   7          2HD       PRO   7   4.508  -3.453   0.495
   43   2HD   PRO   7          3HD       PRO   7   3.015  -2.573   0.235
   44    H    GLY   8           HN       GLY   8   3.778  -3.128   5.921
   45   1HA   GLY   8          1HA       GLY   8   5.690  -5.155   6.203
   46   2HA   GLY   8          2HA       GLY   8   6.541  -3.643   5.954
   47    H    GLN   9           HN       GLN   9   4.060  -5.280   7.993
   48    HA   GLN   9           HA       GLN   9   4.859  -3.455  10.122
   49   1HB   GLN   9          2HB       GLN   9   2.478  -3.121   9.107
   50   2HB   GLN   9          3HB       GLN   9   2.063  -4.620   9.914
   51   1HG   GLN   9          2HG       GLN   9   3.490  -2.968  11.804
   52   2HG   GLN   9          3HG       GLN   9   2.258  -1.976  11.050
   53   1HE2  GLN   9          1HE2      GLN   9   0.106  -3.208  10.715
   54   2HE2  GLN   9          2HE2      GLN   9  -0.510  -4.053  12.096
   55    H    PHE  10           HN       PHE  10   5.969  -6.079   9.383
   56    HA   PHE  10           HA       PHE  10   4.855  -8.122  10.927
   57   1HB   PHE  10          2HB       PHE  10   7.112  -9.143  10.521
   58   2HB   PHE  10          3HB       PHE  10   6.535  -8.361   9.063
   59    HD1  PHE  10           HD1      PHE  10   9.339  -8.964   9.286
   60    HD2  PHE  10           HD2      PHE  10   7.227  -5.579  10.731
   61    HE1  PHE  10           HE1      PHE  10  11.446  -7.605   9.180
   62    HE2  PHE  10           HE2      PHE  10   9.335  -4.219  10.625
   63    HZ   PHE  10           HZ       PHE  10  11.419  -5.248   9.851
   64    H    ARG  11           HN       ARG  11   7.285  -9.012  12.342
   65    HA   ARG  11           HA       ARG  11   7.115  -7.127  14.554
   66   1HB   ARG  11          2HB       ARG  11   6.605  -9.937  14.449
   67   2HB   ARG  11          3HB       ARG  11   8.115  -9.766  15.323
   68   1HG   ARG  11          2HG       ARG  11   6.497  -7.716  16.382
   69   2HG   ARG  11          3HG       ARG  11   5.383  -9.051  16.161
   70   1HD   ARG  11          2HD       ARG  11   7.301 -10.494  17.298
   71   2HD   ARG  11          3HD       ARG  11   7.885  -8.944  17.871
   72    HE   ARG  11           HE       ARG  11   5.013  -9.380  18.329
   73   1HH1  ARG  11          1HH1      ARG  11   5.374  -9.712  21.767
   74   1HH2  ARG  11          2HH2      ARG  11   8.271  -9.767  19.666
   75   2HH2  ARG  11          1HH2      ARG  11   7.721  -9.865  21.306
   76    H    CYS  12           HN       CYS  12   9.023  -7.395  12.106
   77    HA   CYS  12           HA       CYS  12  11.140  -6.867  11.769
   78   1HB   CYS  12          2HB       CYS  12  10.961  -5.703  14.036
   79   2HB   CYS  12          3HB       CYS  12  11.744  -7.117  14.714
   80    H    SER  13           HN       SER  13  10.297  -9.394  11.235
   81    HA   SER  13           HA       SER  13  12.599 -10.960  12.051
   82   1HB   SER  13          2HB       SER  13  11.033 -12.992  12.164
   83   2HB   SER  13          3HB       SER  13  10.936 -11.859  13.498
   84    HG   SER  13           HG       SER  13   8.815 -12.370  12.818
   85    H    GLU  14           HN       GLU  14  11.167  -9.418   9.618
   86    HA   GLU  14           HA       GLU  14  12.374 -10.831   7.628
   87   1HB   GLU  14          2HB       GLU  14  10.225 -11.701   6.440
   88   2HB   GLU  14          3HB       GLU  14  10.913 -12.672   7.727
   89   1HG   GLU  14          2HG       GLU  14   9.302 -11.559   9.348
   90   2HG   GLU  14          3HG       GLU  14   8.563 -10.738   7.988
   91    HE2  GLU  14           HE2      GLU  14   6.803 -13.538   6.982
   92    HA   PRO  15           HA       PRO  15  11.153  -6.844   6.224
   93   1HB   PRO  15          2HB       PRO  15  13.092  -6.555   4.320
   94   2HB   PRO  15          3HB       PRO  15  13.331  -6.130   6.003
   95   1HG   PRO  15          2HG       PRO  15  14.348  -8.477   4.521
   96   2HG   PRO  15          3HG       PRO  15  14.906  -7.814   6.045
   97   1HD   PRO  15          2HD       PRO  15  13.288 -10.154   5.680
   98   2HD   PRO  15          3HD       PRO  15  13.748  -9.426   7.206
   99    HA   PRO  16           HA       PRO  16   8.705  -8.345   3.005
  100   1HB   PRO  16          2HB       PRO  16   6.696  -6.503   3.204
  101   2HB   PRO  16          3HB       PRO  16   6.725  -7.993   4.127
  102   1HG   PRO  16          2HG       PRO  16   7.293  -5.237   5.036
  103   2HG   PRO  16          3HG       PRO  16   6.902  -6.651   5.995
  104   1HD   PRO  16          2HD       PRO  16   9.496  -5.478   5.645
  105   2HD   PRO  16          3HD       PRO  16   9.123  -6.957   6.507
  106    H    GLY  17           HN       GLY  17   8.603  -4.818   3.251
  107   1HA   GLY  17          1HA       GLY  17   9.897  -4.707   0.611
  108   2HA   GLY  17          2HA       GLY  17   8.344  -3.929   0.843
  109    H    ALA  18           HN       ALA  18  11.790  -3.936   1.783
  110    HA   ALA  18           HA       ALA  18  11.931  -2.052   3.697
  111   1HB   ALA  18          1HB       ALA  18  13.898  -1.529   1.606
  112   2HB   ALA  18          2HB       ALA  18  14.125  -2.236   3.224
  113   3HB   ALA  18          3HB       ALA  18  13.664  -3.276   1.855
  114    H    HIS  19           HN       HIS  19  11.505   0.106   3.944
  115    HA   HIS  19           HA       HIS  19  11.649   1.987   1.948
  116   1HB   HIS  19          2HB       HIS  19   9.339   0.384   1.630
  117   2HB   HIS  19          3HB       HIS  19   8.781   1.913   2.279
  118    HD1  HIS  19           HD1      HIS  19   8.211   3.565   0.509
  119    HD2  HIS  19           HD2      HIS  19  11.282   0.976  -0.700
  120    HE1  HIS  19           HE1      HIS  19   8.805   4.227  -1.883
  121    H    GLY  20           HN       GLY  20  12.667   2.994   3.764
  122   1HA   GLY  20          1HA       GLY  20  11.479   3.330   6.273
  123   2HA   GLY  20          2HA       GLY  20  12.753   4.313   5.580
  124    H    GLU  21           HN       GLU  21  10.550   4.616   3.211
  125    HA   GLU  21           HA       GLU  21   9.819   7.183   3.979
  126   1HB   GLU  21          2HB       GLU  21   9.922   5.852   1.615
  127   2HB   GLU  21          3HB       GLU  21   8.195   5.763   1.898
  128   1HG   GLU  21          2HG       GLU  21   8.855   7.802   0.594
  129   2HG   GLU  21          3HG       GLU  21   8.027   8.197   2.087
  130    HE2  GLU  21           HE2      GLU  21  11.001   8.244   0.487
  131    H    CYS  22           HN       CYS  22   8.620   4.152   4.980
  132    HA   CYS  22           HA       CYS  22   6.290   5.469   6.101
  133   1HB   CYS  22          2HB       CYS  22   5.607   4.337   3.958
  134   2HB   CYS  22          3HB       CYS  22   6.051   2.808   4.690
  135    H    TYR  23           HN       TYR  23   7.474   2.045   5.768
  136    HA   TYR  23           HA       TYR  23   7.412   1.800   8.658
  137   1HB   TYR  23          2HB       TYR  23   7.763   0.042   6.175
  138   2HB   TYR  23          3HB       TYR  23   8.164  -0.620   7.748
  139    HD1  TYR  23           HD1      TYR  23   6.167   0.026   9.584
  140    HD2  TYR  23           HD2      TYR  23   5.691  -0.601   5.379
  141    HE1  TYR  23           HE1      TYR  23   3.725  -0.582   9.944
  142    HE2  TYR  23           HE2      TYR  23   3.251  -1.207   5.753
  143    HH   TYR  23           HH       TYR  23   1.613  -0.479   8.489
  144    HA   PRO  24           HA       PRO  24  11.706   2.190   9.080
  145   1HB   PRO  24          2HB       PRO  24  12.051   1.063  11.545
  146   2HB   PRO  24          3HB       PRO  24  11.504   2.712  11.313
  147   1HG   PRO  24          2HG       PRO  24   9.940   0.335  12.115
  148   2HG   PRO  24          3HG       PRO  24   9.528   2.030  12.287
  149   1HD   PRO  24          2HD       PRO  24   8.497   0.203  10.331
  150   2HD   PRO  24          3HD       PRO  24   8.175   1.923  10.432
  151    H    GLN  25           HN       GLN  25  10.280  -0.467   8.123
  152    HA   GLN  25           HA       GLN  25  12.056  -2.464   8.814
  153   1HB   GLN  25          2HB       GLN  25  10.985  -3.768   7.137
  154   2HB   GLN  25          3HB       GLN  25   9.751  -2.654   7.692
  155   1HG   GLN  25          2HG       GLN  25  11.198  -1.343   5.575
  156   2HG   GLN  25          3HG       GLN  25  10.823  -2.964   5.024
  157   1HE2  GLN  25          1HE2      GLN  25   9.750  -0.593   3.966
  158   2HE2  GLN  25          2HE2      GLN  25   8.037  -0.570   4.225
  159    H    ASP  26           HN       ASP  26  12.608   0.357   7.001
  160    HA   ASP  26           HA       ASP  26  14.182  -0.548   4.939
  161   1HB   ASP  26          2HB       ASP  26  13.640   1.737   4.847
  162   2HB   ASP  26          3HB       ASP  26  13.986   1.996   6.545
  163    HD2  ASP  26           HD2      ASP  26  16.195   3.883   5.045
  164    H    TRP  27           HN       TRP  27  14.699  -0.357   8.420
  165    HA   TRP  27           HA       TRP  27  17.504  -0.183   8.447
  166   1HB   TRP  27          2HB       TRP  27  15.366  -0.941  10.382
  167   2HB   TRP  27          3HB       TRP  27  17.013  -1.410  10.753
  168    HD1  TRP  27           HD1      TRP  27  14.733   1.578  10.889
  169    HE1  TRP  27           HE1      TRP  27  15.956   3.750  11.756
  170    HE3  TRP  27           HE3      TRP  27  19.444  -0.304  10.548
  171    HZ2  TRP  27           HZ2      TRP  27  18.695   4.421  12.193
  172    HZ3  TRP  27           HZ3      TRP  27  21.337   1.175  11.214
  173    HH2  TRP  27           HH2      TRP  27  21.021   3.463  12.014
  174    H    LEU  28           HN       LEU  28  15.209  -2.694   7.613
  175    HA   LEU  28           HA       LEU  28  16.968  -4.876   8.168
  176   1HB   LEU  28          2HB       LEU  28  14.360  -4.602   6.682
  177   2HB   LEU  28          3HB       LEU  28  15.235  -6.117   6.782
  178    HG   LEU  28           HG       LEU  28  15.135  -5.548   9.404
  179   1HD1  LEU  28          1HD1      LEU  28  12.503  -4.419   8.448
  180   2HD1  LEU  28          2HD1      LEU  28  13.178  -4.440  10.095
  181   3HD1  LEU  28          3HD1      LEU  28  13.900  -3.391   8.852
  182   1HD2  LEU  28          1HD2      LEU  28  12.743  -6.747   7.999
  183   2HD2  LEU  28          2HD2      LEU  28  14.313  -7.575   8.124
  184   3HD2  LEU  28          3HD2      LEU  28  13.409  -7.153   9.599
  185    H    CYS  29           HN       CYS  29  18.007  -6.245   6.571
  186    HA   CYS  29           HA       CYS  29  19.436  -6.482   4.914
  187   1HB   CYS  29          2HB       CYS  29  16.877  -5.795   3.721
  188   2HB   CYS  29          3HB       CYS  29  18.209  -5.344   2.677
  189    H    ASP  30           HN       ASP  30  20.847  -4.843   6.044
  190    HA   ASP  30           HA       ASP  30  21.202  -2.561   4.285
  191   1HB   ASP  30          2HB       ASP  30  21.941  -1.332   6.495
  192   2HB   ASP  30          3HB       ASP  30  20.237  -1.427   6.094
  193    H    GLY  31           HN       GLY  31  22.563  -4.136   7.290
  194   1HA   GLY  31          1HA       GLY  31  24.864  -5.170   6.078
  195   2HA   GLY  31          2HA       GLY  31  25.257  -3.581   6.702
  196    H    HIS  32           HN       HIS  32  23.345  -3.630   8.954
  197    HA   HIS  32           HA       HIS  32  24.617  -5.724  10.563
  198   1HB   HIS  32          2HB       HIS  32  24.643  -2.849  10.876
  199   2HB   HIS  32          3HB       HIS  32  23.865  -3.594  12.259
  200    HD1  HIS  32           HD1      HIS  32  25.567  -3.765  14.073
  201    HD2  HIS  32           HD2      HIS  32  27.165  -4.753  10.323
  202    HE1  HIS  32           HE1      HIS  32  27.981  -4.479  14.491
  203    HA   PRO  33           HA       PRO  33  20.436  -6.800  11.195
  204   1HB   PRO  33          2HB       PRO  33  20.865  -9.048  12.688
  205   2HB   PRO  33          3HB       PRO  33  20.888  -9.043  10.935
  206   1HG   PRO  33          2HG       PRO  33  23.162  -9.189  12.818
  207   2HG   PRO  33          3HG       PRO  33  23.118  -9.603  11.116
  208   1HD   PRO  33          2HD       PRO  33  24.238  -7.231  12.277
  209   2HD   PRO  33          3HD       PRO  33  24.090  -7.593  10.568
  210    H    ASP  34           HN       ASP  34  18.945  -5.910  12.472
  211    HA   ASP  34           HA       ASP  34  19.676  -5.854  15.277
  212   1HB   ASP  34          2HB       ASP  34  18.662  -3.491  15.356
  213   2HB   ASP  34          3HB       ASP  34  20.251  -3.630  14.630
  214    H    CYS  35           HN       CYS  35  17.957  -7.740  14.250
  215    HA   CYS  35           HA       CYS  35  15.294  -6.624  14.755
  216   1HB   CYS  35          2HB       CYS  35  16.294  -8.393  12.661
  217   2HB   CYS  35          3HB       CYS  35  14.921  -9.078  13.508
  218    H    ASP  36           HN       ASP  36  13.952  -9.087  15.176
  219    HA   ASP  36           HA       ASP  36  14.145  -9.547  17.743
  220   1HB   ASP  36          2HB       ASP  36  12.539 -10.660  16.184
  221   2HB   ASP  36          3HB       ASP  36  13.814 -11.723  15.623
  222    HD2  ASP  36           HD2      ASP  36  12.181 -13.826  17.403
  223    H    ASP  37           HN       ASP  37  16.049 -11.314  15.191
  224    HA   ASP  37           HA       ASP  37  17.929 -12.028  17.303
  225   1HB   ASP  37          2HB       ASP  37  16.430 -13.816  15.843
  226   2HB   ASP  37          3HB       ASP  37  17.846 -13.691  14.819
  227    HD2  ASP  37           HD2      ASP  37  19.745 -14.891  15.666
  228    H    GLY  38           HN       GLY  38  17.493 -11.762  13.687
  229   1HA   GLY  38          1HA       GLY  38  19.029  -9.789  12.928
  230   2HA   GLY  38          2HA       GLY  38  20.285 -10.911  13.413
  231    H    ARG  39           HN       ARG  39  17.082 -11.338  11.737
  232    HA   ARG  39           HA       ARG  39  18.581 -12.738   9.672
  233   1HB   ARG  39          2HB       ARG  39  16.147 -13.734   9.231
  234   2HB   ARG  39          3HB       ARG  39  17.152 -14.398  10.504
  235   1HG   ARG  39          2HG       ARG  39  16.023 -12.946  12.181
  236   2HG   ARG  39          3HG       ARG  39  15.049 -12.219  10.918
  237   1HD   ARG  39          2HD       ARG  39  13.952 -14.364  10.439
  238   2HD   ARG  39          3HD       ARG  39  15.034 -15.214  11.523
  239    HE   ARG  39           HE       ARG  39  13.589 -13.043  12.847
  240   1HH1  ARG  39          1HH1      ARG  39  11.430 -15.153  14.567
  241   1HH2  ARG  39          2HH2      ARG  39  13.405 -16.446  11.876
  242   2HH2  ARG  39          1HH2      ARG  39  12.224 -16.853  13.076
  243    H    ASP  40           HN       ASP  40  17.222  -9.814  10.337
  244    HA   ASP  40           HA       ASP  40  15.441  -9.396   8.263
  245   1HB   ASP  40          2HB       ASP  40  16.253  -6.920   8.593
  246   2HB   ASP  40          3HB       ASP  40  15.426  -7.726   9.912
  247    H    GLU  41           HN       GLU  41  18.830  -9.995   8.282
  248    HA   GLU  41           HA       GLU  41  18.977  -9.229   5.511
  249   1HB   GLU  41          2HB       GLU  41  21.132  -8.035   5.801
  250   2HB   GLU  41          3HB       GLU  41  19.830  -7.226   6.650
  251   1HG   GLU  41          2HG       GLU  41  20.622  -8.749   8.697
  252   2HG   GLU  41          3HG       GLU  41  22.119  -8.842   7.790
  253    H    TRP  42           HN       TRP  42  18.856 -11.722   7.225
  254    HA   TRP  42           HA       TRP  42  21.292 -12.944   7.531
  255   1HB   TRP  42          2HB       TRP  42  18.706 -13.648   7.911
  256   2HB   TRP  42          3HB       TRP  42  19.085 -14.627   6.508
  257    HD1  TRP  42           HD1      TRP  42  19.855 -14.371  10.239
  258    HE1  TRP  42           HE1      TRP  42  21.217 -16.459  11.103
  259    HE3  TRP  42           HE3      TRP  42  20.814 -16.311   5.638
  260    HZ2  TRP  42           HZ2      TRP  42  22.514 -18.639   9.795
  261    HZ3  TRP  42           HZ3      TRP  42  22.134 -18.422   5.520
  262    HH2  TRP  42           HH2      TRP  42  22.975 -19.580   7.501
  263    H    GLY  43           HN       GLY  43  19.071 -13.793   4.793
  264   1HA   GLY  43          1HA       GLY  43  21.313 -14.510   3.137
  265   2HA   GLY  43          2HA       GLY  43  19.609 -14.595   2.736
  266    H    CYS  44           HN       CYS  44  21.629 -11.789   3.846
  267    HA   CYS  44           HA       CYS  44  20.879 -10.475   1.335
  268   1HB   CYS  44          2HB       CYS  44  20.136  -9.690   3.849
  269   2HB   CYS  44          3HB       CYS  44  21.596  -8.751   3.613
  270    H    GLY  45           HN       GLY  45  23.326 -11.997   3.041
  271   1HA   GLY  45          1HA       GLY  45  25.489 -10.175   2.762
  272   2HA   GLY  45          2HA       GLY  45  25.578 -11.900   3.058
  273    H    THR  46           HN       THR  46  25.115  -9.415   0.489
  274    HA   THR  46           HA       THR  46  25.913 -11.428  -1.498
  275    HB   THR  46           HB       THR  46  23.706 -10.133  -1.719
  276    HG1  THR  46           HG1      THR  46  25.824  -9.559  -3.666
  277   1HG2  THR  46          1HG2      THR  46  25.719  -7.869  -2.153
  278   2HG2  THR  46          2HG2      THR  46  24.051  -7.823  -2.772
  279   3HG2  THR  46          3HG2      THR  46  24.348  -7.881  -1.018
  280    H    SER  47           HN       SER  47  27.797 -11.301  -2.602
  281    HA   SER  47           HA       SER  47  29.188  -8.849  -2.765
  282   1HB   SER  47          2HB       SER  47  29.787 -10.630  -0.533
  283   2HB   SER  47          3HB       SER  47  31.186 -10.485  -1.577
  284    HG   SER  47           HG       SER  47  30.177  -8.665   0.201
  Start of MODEL    5
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   2.007   0.982  -1.714
    3   2HA   GLY   1          2HA       GLY   1   3.128  -0.184  -1.040
    4    H    SER   2           HN       SER   2   1.914  -2.553  -0.832
    5    HA   SER   2           HA       SER   2   0.027  -3.257  -2.657
    6   1HB   SER   2          2HB       SER   2   2.704  -2.879  -3.872
    7   2HB   SER   2          3HB       SER   2   2.008  -4.454  -4.198
    8    HG   SER   2           HG       SER   2   0.564  -1.977  -4.598
    9    H    SER   3           HN       SER   3   3.355  -4.261  -1.583
   10    HA   SER   3           HA       SER   3   2.124  -6.468  -0.203
   11   1HB   SER   3          2HB       SER   3   3.694  -6.754  -2.672
   12   2HB   SER   3          3HB       SER   3   4.406  -7.654  -1.348
   13    HG   SER   3           HG       SER   3   1.706  -7.868  -2.364
   14    H    ARG   4           HN       ARG   4   2.758  -5.315   1.722
   15    HA   ARG   4           HA       ARG   4   5.468  -5.808   2.413
   16   1HB   ARG   4          2HB       ARG   4   4.615  -3.124   1.593
   17   2HB   ARG   4          3HB       ARG   4   5.153  -3.109   3.261
   18   1HG   ARG   4          2HG       ARG   4   6.812  -4.513   1.142
   19   2HG   ARG   4          3HG       ARG   4   6.919  -2.774   1.330
   20   1HD   ARG   4          2HD       ARG   4   8.495  -3.232   2.924
   21   2HD   ARG   4          3HD       ARG   4   7.133  -3.598   3.963
   22    HE   ARG   4           HE       ARG   4   7.551  -5.916   3.705
   23   1HH1  ARG   4          1HH1      ARG   4  10.192  -7.525   2.123
   24   1HH2  ARG   4          2HH2      ARG   4   9.624  -4.042   1.526
   25   2HH2  ARG   4          1HH2      ARG   4  10.641  -5.388   1.135
   26    H    CYS   5           HN       CYS   5   5.828  -5.081   4.832
   27    HA   CYS   5           HA       CYS   5   3.703  -4.369   6.439
   28   1HB   CYS   5          2HB       CYS   5   2.622  -6.434   5.813
   29   2HB   CYS   5          3HB       CYS   5   4.053  -7.363   6.214
   30    HA   PRO   6           HA       PRO   6   7.907  -4.565   8.149
   31   1HB   PRO   6          2HB       PRO   6   8.175  -1.912   8.751
   32   2HB   PRO   6          3HB       PRO   6   8.739  -2.616   7.248
   33   1HG   PRO   6          2HG       PRO   6   6.357  -0.932   7.727
   34   2HG   PRO   6          3HG       PRO   6   7.166  -1.285   6.213
   35   1HD   PRO   6          2HD       PRO   6   4.707  -2.426   7.151
   36   2HD   PRO   6          3HD       PRO   6   5.575  -2.862   5.693
   37    HA   PRO   7           HA       PRO   7   6.910  -4.537  12.278
   38   1HB   PRO   7          2HB       PRO   7   9.140  -3.666  13.595
   39   2HB   PRO   7          3HB       PRO   7   8.972  -5.294  12.970
   40   1HG   PRO   7          2HG       PRO   7  10.575  -3.053  11.898
   41   2HG   PRO   7          3HG       PRO   7  10.716  -4.766  11.555
   42   1HD   PRO   7          2HD       PRO   7   9.533  -2.770   9.868
   43   2HD   PRO   7          3HD       PRO   7   9.571  -4.498   9.579
   44    H    GLY   8           HN       GLY   8   5.454  -3.441  13.427
   45   1HA   GLY   8          1HA       GLY   8   6.009  -0.895  14.466
   46   2HA   GLY   8          2HA       GLY   8   5.115  -0.693  12.972
   47    H    GLN   9           HN       GLN   9   5.064  -2.298  16.196
   48    HA   GLN   9           HA       GLN   9   2.157  -2.214  15.999
   49   1HB   GLN   9          2HB       GLN   9   3.022  -4.560  15.795
   50   2HB   GLN   9          3HB       GLN   9   3.803  -4.396  17.355
   51   1HG   GLN   9          2HG       GLN   9   1.100  -3.563  17.747
   52   2HG   GLN   9          3HG       GLN   9   1.016  -5.008  16.760
   53   1HE2  GLN   9          1HE2      GLN   9   0.216  -4.609  19.510
   54   2HE2  GLN   9          2HE2      GLN   9   1.095  -5.735  20.489
   55    H    PHE  10           HN       PHE  10   4.027  -0.203  17.053
   56    HA   PHE  10           HA       PHE  10   4.292  -0.425  19.826
   57   1HB   PHE  10          2HB       PHE  10   4.718   2.036  19.602
   58   2HB   PHE  10          3HB       PHE  10   5.507   1.170  18.298
   59    HD1  PHE  10           HD1      PHE  10   5.091   3.993  17.995
   60    HD2  PHE  10           HD2      PHE  10   2.397   0.817  17.183
   61    HE1  PHE  10           HE1      PHE  10   3.900   5.432  16.318
   62    HE2  PHE  10           HE2      PHE  10   1.206   2.256  15.506
   63    HZ   PHE  10           HZ       PHE  10   1.972   4.546  15.094
   64    H    ARG  11           HN       ARG  11   3.188   2.192  20.610
   65    HA   ARG  11           HA       ARG  11   0.394   1.381  20.715
   66   1HB   ARG  11          2HB       ARG  11   2.258   1.989  22.803
   67   2HB   ARG  11          3HB       ARG  11   1.121   3.322  22.771
   68   1HG   ARG  11          2HG       ARG  11  -0.751   1.909  23.184
   69   2HG   ARG  11          3HG       ARG  11   0.101   0.466  22.669
   70   1HD   ARG  11          2HD       ARG  11   1.720   1.096  24.722
   71   2HD   ARG  11          3HD       ARG  11   0.303   1.957  25.289
   72    HE   ARG  11           HE       ARG  11  -0.289  -0.778  24.422
   73   1HH1  ARG  11          1HH1      ARG  11  -0.733  -1.989  27.647
   74   1HH2  ARG  11          2HH2      ARG  11   0.775   1.218  27.149
   75   2HH2  ARG  11          1HH2      ARG  11   0.277   0.069  28.345
   76    H    CYS  12           HN       CYS  12   2.054   3.199  18.788
   77    HA   CYS  12           HA       CYS  12   1.523   4.942  17.539
   78   1HB   CYS  12          2HB       CYS  12  -0.912   4.404  18.569
   79   2HB   CYS  12          3HB       CYS  12  -0.661   6.001  19.244
   80    H    SER  13           HN       SER  13   3.629   5.100  19.245
   81    HA   SER  13           HA       SER  13   3.427   7.842  20.171
   82   1HB   SER  13          2HB       SER  13   4.905   7.156  22.157
   83   2HB   SER  13          3HB       SER  13   3.221   6.678  22.237
   84    HG   SER  13           HG       SER  13   4.240   4.797  22.729
   85    H    GLU  14           HN       GLU  14   4.698   5.870  17.967
   86    HA   GLU  14           HA       GLU  14   6.804   7.471  17.325
   87   1HB   GLU  14          2HB       GLU  14   8.726   5.805  17.848
   88   2HB   GLU  14          3HB       GLU  14   8.142   6.816  19.154
   89   1HG   GLU  14          2HG       GLU  14   6.605   4.915  19.857
   90   2HG   GLU  14          3HG       GLU  14   7.351   3.912  18.629
   91    HE2  GLU  14           HE2      GLU  14  10.231   3.398  20.508
   92    HA   PRO  15           HA       PRO  15   5.778   4.790  13.992
   93   1HB   PRO  15          2HB       PRO  15   6.639   6.423  11.976
   94   2HB   PRO  15          3HB       PRO  15   5.035   6.526  12.674
   95   1HG   PRO  15          2HG       PRO  15   7.350   8.320  13.074
   96   2HG   PRO  15          3HG       PRO  15   5.656   8.624  13.405
   97   1HD   PRO  15          2HD       PRO  15   7.696   8.008  15.325
   98   2HD   PRO  15          3HD       PRO  15   5.983   8.197  15.641
   99    HA   PRO  16           HA       PRO  16   9.705   3.017  13.760
  100   1HB   PRO  16          2HB       PRO  16   8.903   0.460  13.220
  101   2HB   PRO  16          3HB       PRO  16   9.079   1.086  14.848
  102   1HG   PRO  16          2HG       PRO  16   6.603   0.576  13.315
  103   2HG   PRO  16          3HG       PRO  16   6.800   0.787  15.044
  104   1HD   PRO  16          2HD       PRO  16   5.781   2.719  13.185
  105   2HD   PRO  16          3HD       PRO  16   6.088   2.967  14.892
  106    H    GLY  17           HN       GLY  17   7.400   1.624  11.464
  107   1HA   GLY  17          1HA       GLY  17   9.079   2.685   9.297
  108   2HA   GLY  17          2HA       GLY  17   8.787   0.959   9.380
  109    H    ALA  18           HN       ALA  18   7.370   4.144   8.748
  110    HA   ALA  18           HA       ALA  18   4.702   3.588   8.652
  111   1HB   ALA  18          1HB       ALA  18   5.305   5.815   8.300
  112   2HB   ALA  18          2HB       ALA  18   6.548   5.397   7.096
  113   3HB   ALA  18          3HB       ALA  18   4.823   5.309   6.663
  114    H    HIS  19           HN       HIS  19   3.336   2.404   7.367
  115    HA   HIS  19           HA       HIS  19   3.767   1.802   4.724
  116   1HB   HIS  19          2HB       HIS  19   5.448   0.238   6.396
  117   2HB   HIS  19          3HB       HIS  19   4.185  -0.829   5.816
  118    HD1  HIS  19           HD1      HIS  19   3.762  -0.266   2.972
  119    HD2  HIS  19           HD2      HIS  19   7.565   0.141   4.695
  120    HE1  HIS  19           HE1      HIS  19   5.436  -0.414   1.052
  121    H    GLY  20           HN       GLY  20   1.533   2.423   4.870
  122   1HA   GLY  20          1HA       GLY  20  -0.363   1.256   6.535
  123   2HA   GLY  20          2HA       GLY  20  -0.672   2.010   4.983
  124    H    GLU  21           HN       GLU  21   1.470  -0.173   3.964
  125    HA   GLU  21           HA       GLU  21  -0.365  -1.808   2.779
  126   1HB   GLU  21          2HB       GLU  21   2.277  -1.414   2.466
  127   2HB   GLU  21          3HB       GLU  21   2.372  -2.902   3.386
  128   1HG   GLU  21          2HG       GLU  21   0.812  -2.496   0.791
  129   2HG   GLU  21          3HG       GLU  21   2.313  -3.384   0.960
  130    HE2  GLU  21           HE2      GLU  21  -1.070  -4.089   2.633
  131    H    CYS  22           HN       CYS  22   0.786  -1.809   6.059
  132    HA   CYS  22           HA       CYS  22  -0.642  -4.316   6.485
  133   1HB   CYS  22          2HB       CYS  22   1.816  -4.754   6.428
  134   2HB   CYS  22          3HB       CYS  22   2.009  -3.665   7.787
  135    H    TYR  23           HN       TYR  23   1.319  -2.132   8.615
  136    HA   TYR  23           HA       TYR  23  -1.018  -1.769  10.295
  137   1HB   TYR  23          2HB       TYR  23   1.882  -1.888  10.469
  138   2HB   TYR  23          3HB       TYR  23   1.415  -0.285  11.000
  139    HD1  TYR  23           HD1      TYR  23   0.624   0.065  13.190
  140    HD2  TYR  23           HD2      TYR  23   0.728  -3.908  11.606
  141    HE1  TYR  23           HE1      TYR  23   0.044  -0.871  15.481
  142    HE2  TYR  23           HE2      TYR  23   0.147  -4.831  13.903
  143    HH   TYR  23           HH       TYR  23  -1.228  -3.392  16.125
  144    HA   PRO  24           HA       PRO  24  -1.821   2.256   8.926
  145   1HB   PRO  24          2HB       PRO  24  -3.093   3.318  11.099
  146   2HB   PRO  24          3HB       PRO  24  -3.888   2.268   9.942
  147   1HG   PRO  24          2HG       PRO  24  -2.965   1.645  12.680
  148   2HG   PRO  24          3HG       PRO  24  -4.113   0.774  11.684
  149   1HD   PRO  24          2HD       PRO  24  -1.388   0.043  12.201
  150   2HD   PRO  24          3HD       PRO  24  -2.502  -0.764  11.114
  151    H    GLN  25           HN       GLN  25   0.705   1.578  10.616
  152    HA   GLN  25           HA       GLN  25   1.313   3.842  12.033
  153   1HB   GLN  25          2HB       GLN  25   3.590   3.072  11.982
  154   2HB   GLN  25          3HB       GLN  25   2.578   1.641  11.989
  155   1HG   GLN  25          2HG       GLN  25   3.093   2.575   9.248
  156   2HG   GLN  25          3HG       GLN  25   4.588   2.272  10.110
  157   1HE2  GLN  25          1HE2      GLN  25   4.774   0.214  11.280
  158   2HE2  GLN  25          2HE2      GLN  25   4.077  -1.216  10.595
  159    H    ASP  26           HN       ASP  26   0.824   3.475   8.649
  160    HA   ASP  26           HA       ASP  26   2.706   5.267   7.683
  161   1HB   ASP  26          2HB       ASP  26   1.663   3.982   6.022
  162   2HB   ASP  26          3HB       ASP  26   0.073   4.151   6.740
  163    HD2  ASP  26           HD2      ASP  26  -1.065   6.060   6.223
  164    H    TRP  27           HN       TRP  27  -0.426   5.600   9.322
  165    HA   TRP  27           HA       TRP  27  -1.161   8.145   8.487
  166   1HB   TRP  27          2HB       TRP  27  -1.713   6.464  10.901
  167   2HB   TRP  27          3HB       TRP  27  -2.218   8.142  10.892
  168    HD1  TRP  27           HD1      TRP  27  -3.072   4.776   9.275
  169    HE1  TRP  27           HE1      TRP  27  -5.340   4.891   7.931
  170    HE3  TRP  27           HE3      TRP  27  -3.612   9.822   9.593
  171    HZ2  TRP  27           HZ2      TRP  27  -7.067   7.032   7.169
  172    HZ3  TRP  27           HZ3      TRP  27  -5.618  10.845   8.522
  173    HH2  TRP  27           HH2      TRP  27  -7.310   9.536   7.341
  174    H    LEU  28           HN       LEU  28   1.409   6.963  10.593
  175    HA   LEU  28           HA       LEU  28   1.787   9.386  12.016
  176   1HB   LEU  28          2HB       LEU  28   3.465   6.923  11.578
  177   2HB   LEU  28          3HB       LEU  28   4.033   8.291  12.515
  178    HG   LEU  28           HG       LEU  28   1.653   7.869  13.737
  179   1HD1  LEU  28          1HD1      LEU  28   2.544   5.042  13.273
  180   2HD1  LEU  28          2HD1      LEU  28   0.974   5.669  13.831
  181   3HD1  LEU  28          3HD1      LEU  28   1.438   5.826  12.119
  182   1HD2  LEU  28          1HD2      LEU  28   4.079   7.984  14.612
  183   2HD2  LEU  28          2HD2      LEU  28   2.871   7.078  15.556
  184   3HD2  LEU  28          3HD2      LEU  28   4.035   6.206  14.529
  185    H    CYS  29           HN       CYS  29   3.417  10.998  11.724
  186    HA   CYS  29           HA       CYS  29   4.409  12.506  10.457
  187   1HB   CYS  29          2HB       CYS  29   5.842   9.998  10.125
  188   2HB   CYS  29          3HB       CYS  29   6.068  11.052   8.744
  189    H    ASP  30           HN       ASP  30   2.205  12.872   9.419
  190    HA   ASP  30           HA       ASP  30   2.428  12.260   6.583
  191   1HB   ASP  30          2HB       ASP  30   0.210  11.558   6.422
  192   2HB   ASP  30          3HB       ASP  30   0.625  10.940   8.009
  193    H    GLY  31           HN       GLY  31   0.671  14.165   9.148
  194   1HA   GLY  31          1HA       GLY  31   1.415  16.682   8.184
  195   2HA   GLY  31          2HA       GLY  31  -0.136  16.282   7.475
  196    H    HIS  32           HN       HIS  32  -1.337  14.752   9.549
  197    HA   HIS  32           HA       HIS  32  -1.479  16.766  11.673
  198   1HB   HIS  32          2HB       HIS  32  -3.525  15.675   9.946
  199   2HB   HIS  32          3HB       HIS  32  -3.887  15.291  11.617
  200    HD1  HIS  32           HD1      HIS  32  -4.688  17.189  13.135
  201    HD2  HIS  32           HD2      HIS  32  -3.379  18.511   9.375
  202    HE1  HIS  32           HE1      HIS  32  -5.364  19.644  12.965
  203    HA   PRO  33           HA       PRO  33  -0.304  13.410  14.181
  204   1HB   PRO  33          2HB       PRO  33  -0.365  14.688  16.596
  205   2HB   PRO  33          3HB       PRO  33   1.004  14.766  15.505
  206   1HG   PRO  33          2HG       PRO  33  -1.037  16.829  16.066
  207   2HG   PRO  33          3HG       PRO  33   0.542  17.018  15.330
  208   1HD   PRO  33          2HD       PRO  33  -1.989  17.007  13.981
  209   2HD   PRO  33          3HD       PRO  33  -0.405  17.080  13.236
  210    H    ASP  34           HN       ASP  34  -1.650  11.720  14.264
  211    HA   ASP  34           HA       ASP  34  -3.948  12.198  15.989
  212   1HB   ASP  34          2HB       ASP  34  -4.854  10.209  14.340
  213   2HB   ASP  34          3HB       ASP  34  -5.186  11.911  14.085
  214    H    CYS  35           HN       CYS  35  -1.779  11.250  17.246
  215    HA   CYS  35           HA       CYS  35  -2.088   8.335  17.217
  216   1HB   CYS  35          2HB       CYS  35   0.277   9.943  16.951
  217   2HB   CYS  35          3HB       CYS  35   0.372   9.026  18.441
  218    H    ASP  36           HN       ASP  36  -0.641   7.897  19.662
  219    HA   ASP  36           HA       ASP  36  -2.482   7.978  21.529
  220   1HB   ASP  36          2HB       ASP  36   0.041   7.204  21.576
  221   2HB   ASP  36          3HB       ASP  36   0.350   8.779  22.280
  222    HD2  ASP  36           HD2      ASP  36   0.539   7.491  24.916
  223    H    ASP  37           HN       ASP  37  -0.055  10.612  20.882
  224    HA   ASP  37           HA       ASP  37  -1.857  12.413  22.299
  225   1HB   ASP  37          2HB       ASP  37   0.642  11.767  23.183
  226   2HB   ASP  37          3HB       ASP  37   1.066  13.077  22.098
  227    HD2  ASP  37           HD2      ASP  37  -1.606  12.846  24.533
  228    H    GLY  38           HN       GLY  38   1.007  12.269  20.037
  229   1HA   GLY  38          1HA       GLY  38   0.094  13.105  17.722
  230   2HA   GLY  38          2HA       GLY  38   0.008  14.617  18.604
  231    H    ARG  39           HN       ARG  39   2.432  11.929  18.841
  232    HA   ARG  39           HA       ARG  39   4.436  13.945  18.231
  233   1HB   ARG  39          2HB       ARG  39   5.937  11.967  19.290
  234   2HB   ARG  39          3HB       ARG  39   5.125  13.145  20.302
  235   1HG   ARG  39          2HG       ARG  39   3.206  11.606  20.610
  236   2HG   ARG  39          3HG       ARG  39   3.932  10.443  19.518
  237   1HD   ARG  39          2HD       ARG  39   5.044  11.341  22.219
  238   2HD   ARG  39          3HD       ARG  39   4.387   9.763  21.833
  239    HE   ARG  39           HE       ARG  39   6.371   9.219  20.647
  240   1HH1  ARG  39          1HH1      ARG  39   9.364  10.971  20.458
  241   1HH2  ARG  39          2HH2      ARG  39   6.423  12.610  21.672
  242   2HH2  ARG  39          1HH2      ARG  39   8.108  12.818  21.327
  243    H    ASP  40           HN       ASP  40   2.803  11.146  17.063
  244    HA   ASP  40           HA       ASP  40   4.625   9.635  15.841
  245   1HB   ASP  40          2HB       ASP  40   2.869   9.431  13.945
  246   2HB   ASP  40          3HB       ASP  40   2.349   9.026  15.569
  247    H    GLU  41           HN       GLU  41   3.732  12.989  15.149
  248    HA   GLU  41           HA       GLU  41   5.733  13.006  13.051
  249   1HB   GLU  41          2HB       GLU  41   4.365  14.212  11.505
  250   2HB   GLU  41          3HB       GLU  41   3.382  12.869  12.055
  251   1HG   GLU  41          2HG       GLU  41   2.559  14.595  13.906
  252   2HG   GLU  41          3HG       GLU  41   3.158  15.800  12.783
  253    H    TRP  42           HN       TRP  42   5.884  13.761  15.853
  254    HA   TRP  42           HA       TRP  42   5.384  16.388  16.422
  255   1HB   TRP  42          2HB       TRP  42   6.099  15.231  18.236
  256   2HB   TRP  42          3HB       TRP  42   7.327  14.348  17.351
  257    HD1  TRP  42           HD1      TRP  42   9.547  14.961  18.607
  258    HE1  TRP  42           HE1      TRP  42  10.855  17.132  19.340
  259    HE3  TRP  42           HE3      TRP  42   5.894  18.243  17.288
  260    HZ2  TRP  42           HZ2      TRP  42  10.229  19.916  19.288
  261    HZ3  TRP  42           HZ3      TRP  42   6.323  20.670  17.662
  262    HH2  TRP  42           HH2      TRP  42   8.401  21.522  18.625
  263    H    GLY  43           HN       GLY  43   8.807  15.430  15.884
  264   1HA   GLY  43          1HA       GLY  43   9.373  17.954  14.638
  265   2HA   GLY  43          2HA       GLY  43  10.487  16.639  14.956
  266    H    CYS  44           HN       CYS  44   7.416  16.864  13.016
  267    HA   CYS  44           HA       CYS  44   8.966  15.798  10.769
  268   1HB   CYS  44          2HB       CYS  44   6.797  14.641  11.978
  269   2HB   CYS  44          3HB       CYS  44   6.037  15.521  10.667
  270    H    GLY  45           HN       GLY  45   7.473  18.525  12.123
  271   1HA   GLY  45          1HA       GLY  45   6.083  19.657   9.963
  272   2HA   GLY  45          2HA       GLY  45   6.791  20.510  11.319
  273    H    THR  46           HN       THR  46   7.012  19.841   7.942
  274    HA   THR  46           HA       THR  46   9.783  20.273   7.569
  275    HB   THR  46           HB       THR  46   9.039  20.545   5.181
  276    HG1  THR  46           HG1      THR  46   6.883  21.055   4.890
  277   1HG2  THR  46          1HG2      THR  46   9.050  18.205   6.295
  278   2HG2  THR  46          2HG2      THR  46   7.298  18.422   6.523
  279   3HG2  THR  46          3HG2      THR  46   7.985  18.386   4.881
  280    H    SER  47           HN       SER  47  11.005  22.061   7.556
  281    HA   SER  47           HA       SER  47   9.588  24.535   8.019
  282   1HB   SER  47          2HB       SER  47  12.529  23.772   8.260
  283   2HB   SER  47          3HB       SER  47  11.933  25.396   8.537
  284    HG   SER  47           HG       SER  47  10.644  24.624  10.284
  Start of MODEL    6
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   2.550  -0.970  -1.387
    3   2HA   GLY   1          2HA       GLY   1   1.392   0.146  -2.083
    4    H    SER   2           HN       SER   2   1.779   2.469  -1.974
    5    HA   SER   2           HA       SER   2   4.224   3.267  -2.618
    6   1HB   SER   2          2HB       SER   2   1.976   4.717  -1.198
    7   2HB   SER   2          3HB       SER   2   3.468   5.565  -1.552
    8    HG   SER   2           HG       SER   2   1.552   4.444  -3.373
    9    H    SER   3           HN       SER   3   5.832   4.722  -1.394
   10    HA   SER   3           HA       SER   3   7.333   4.934   0.159
   11   1HB   SER   3          2HB       SER   3   4.975   4.495   2.043
   12   2HB   SER   3          3HB       SER   3   6.547   5.070   2.561
   13    HG   SER   3           HG       SER   3   4.514   6.410   1.115
   14    H    ARG   4           HN       ARG   4   8.861   3.315   0.163
   15    HA   ARG   4           HA       ARG   4   8.727   1.314   2.069
   16   1HB   ARG   4          2HB       ARG   4   7.508   0.647  -0.509
   17   2HB   ARG   4          3HB       ARG   4   8.900  -0.379  -0.223
   18   1HG   ARG   4          2HG       ARG   4   7.038   0.026   2.099
   19   2HG   ARG   4          3HG       ARG   4   6.424  -0.930   0.765
   20   1HD   ARG   4          2HD       ARG   4   8.072  -2.608   1.022
   21   2HD   ARG   4          3HD       ARG   4   9.194  -1.531   1.830
   22    HE   ARG   4           HE       ARG   4   6.698  -1.965   3.317
   23   1HH1  ARG   4          1HH1      ARG   4   8.215  -3.899   5.771
   24   1HH2  ARG   4          2HH2      ARG   4   9.995  -3.138   2.761
   25   2HH2  ARG   4          1HH2      ARG   4  10.091  -3.963   4.282
   26    H    CYS   5           HN       CYS   5  10.700  -0.201   1.863
   27    HA   CYS   5           HA       CYS   5  12.603   0.134  -0.108
   28   1HB   CYS   5          2HB       CYS   5  12.806   2.438   0.620
   29   2HB   CYS   5          3HB       CYS   5  13.059   1.934   2.279
   30    HA   PRO   6           HA       PRO   6  13.072  -3.127   3.027
   31   1HB   PRO   6          2HB       PRO   6  12.850  -5.277   1.354
   32   2HB   PRO   6          3HB       PRO   6  11.494  -4.608   2.240
   33   1HG   PRO   6          2HG       PRO   6  12.138  -4.352  -0.634
   34   2HG   PRO   6          3HG       PRO   6  10.611  -4.069   0.179
   35   1HD   PRO   6          2HD       PRO   6  12.452  -2.079  -0.758
   36   2HD   PRO   6          3HD       PRO   6  10.983  -1.800   0.157
   37    HA   PRO   7           HA       PRO   7  17.157  -4.059   2.328
   38   1HB   PRO   7          2HB       PRO   7  17.542  -6.573   3.331
   39   2HB   PRO   7          3HB       PRO   7  17.441  -5.144   4.340
   40   1HG   PRO   7          2HG       PRO   7  15.421  -7.259   3.917
   41   2HG   PRO   7          3HG       PRO   7  15.521  -6.080   5.209
   42   1HD   PRO   7          2HD       PRO   7  13.748  -6.009   2.956
   43   2HD   PRO   7          3HD       PRO   7  13.930  -4.774   4.185
   44    H    GLY   8           HN       GLY   8  18.441  -4.400   0.616
   45   1HA   GLY   8          1HA       GLY   8  18.468  -6.825  -0.782
   46   2HA   GLY   8          2HA       GLY   8  17.363  -5.744  -1.607
   47    H    GLN   9           HN       GLN   9  20.736  -6.107  -0.413
   48    HA   GLN   9           HA       GLN   9  21.494  -4.204  -2.487
   49   1HB   GLN   9          2HB       GLN   9  21.700  -3.290  -0.112
   50   2HB   GLN   9          3HB       GLN   9  22.917  -4.514   0.190
   51   1HG   GLN   9          2HG       GLN   9  24.443  -3.571  -1.375
   52   2HG   GLN   9          3HG       GLN   9  23.187  -2.681  -2.213
   53   1HE2  GLN   9          1HE2      GLN   9  25.773  -1.990  -0.776
   54   2HE2  GLN   9          2HE2      GLN   9  25.376  -0.667   0.269
   55    H    PHE  10           HN       PHE  10  21.226  -7.093  -2.715
   56    HA   PHE  10           HA       PHE  10  23.696  -8.365  -2.310
   57   1HB   PHE  10          2HB       PHE  10  22.618 -10.082  -3.780
   58   2HB   PHE  10          3HB       PHE  10  21.446  -9.465  -2.633
   59    HD1  PHE  10           HD1      PHE  10  20.477 -10.839  -4.959
   60    HD2  PHE  10           HD2      PHE  10  21.574  -6.760  -4.558
   61    HE1  PHE  10           HE1      PHE  10  18.940 -10.240  -6.851
   62    HE2  PHE  10           HE2      PHE  10  20.038  -6.160  -6.450
   63    HZ   PHE  10           HZ       PHE  10  18.739  -7.908  -7.574
   64    H    ARG  11           HN       ARG  11  24.015  -9.637  -4.928
   65    HA   ARG  11           HA       ARG  11  25.223  -7.370  -6.296
   66   1HB   ARG  11          2HB       ARG  11  26.340  -9.854  -5.402
   67   2HB   ARG  11          3HB       ARG  11  26.295  -9.944  -7.151
   68   1HG   ARG  11          2HG       ARG  11  27.195  -7.303  -6.495
   69   2HG   ARG  11          3HG       ARG  11  28.082  -8.402  -5.458
   70   1HD   ARG  11          2HD       ARG  11  28.094  -9.681  -7.978
   71   2HD   ARG  11          3HD       ARG  11  28.322  -7.986  -8.361
   72    HE   ARG  11           HE       ARG  11  30.473  -8.148  -7.485
   73   1HH1  ARG  11          1HH1      ARG  11  31.984 -10.371  -5.285
   74   1HH2  ARG  11          2HH2      ARG  11  28.485 -10.663  -5.977
   75   2HH2  ARG  11          1HH2      ARG  11  29.802 -11.341  -5.079
   76    H    CYS  12           HN       CYS  12  22.430  -8.749  -6.478
   77    HA   CYS  12           HA       CYS  12  20.971  -8.973  -8.123
   78   1HB   CYS  12          2HB       CYS  12  22.694  -7.459  -9.408
   79   2HB   CYS  12          3HB       CYS  12  23.045  -8.935 -10.286
   80    H    SER  13           HN       SER  13  21.769 -11.154  -6.719
   81    HA   SER  13           HA       SER  13  21.876 -13.181  -8.793
   82   1HB   SER  13          2HB       SER  13  23.691 -14.295  -7.919
   83   2HB   SER  13          3HB       SER  13  24.125 -12.675  -7.408
   84    HG   SER  13           HG       SER  13  23.457 -13.100  -5.316
   85    H    GLU  14           HN       GLU  14  20.031 -11.762  -6.571
   86    HA   GLU  14           HA       GLU  14  18.292 -13.832  -6.269
   87   1HB   GLU  14          2HB       GLU  14  18.596 -14.209  -3.712
   88   2HB   GLU  14          3HB       GLU  14  19.660 -15.072  -4.805
   89   1HG   GLU  14          2HG       GLU  14  21.383 -13.243  -4.508
   90   2HG   GLU  14          3HG       GLU  14  20.328 -12.478  -3.336
   91    HE2  GLU  14           HE2      GLU  14  21.197 -13.112  -1.248
   92    HA   PRO  15           HA       PRO  15  16.407 -10.014  -5.168
   93   1HB   PRO  15          2HB       PRO  15  13.840 -10.719  -5.787
   94   2HB   PRO  15          3HB       PRO  15  14.968 -10.077  -6.965
   95   1HG   PRO  15          2HG       PRO  15  14.044 -12.862  -6.610
   96   2HG   PRO  15          3HG       PRO  15  14.815 -12.130  -8.003
   97   1HD   PRO  15          2HD       PRO  15  16.042 -13.867  -6.079
   98   2HD   PRO  15          3HD       PRO  15  16.838 -13.043  -7.405
   99    HA   PRO  16           HA       PRO  16  15.416 -11.282  -1.161
  100   1HB   PRO  16          2HB       PRO  16  15.989  -8.927   0.101
  101   2HB   PRO  16          3HB       PRO  16  17.185 -10.174  -0.188
  102   1HG   PRO  16          2HG       PRO  16  16.825  -7.592  -1.582
  103   2HG   PRO  16          3HG       PRO  16  18.230  -8.639  -1.557
  104   1HD   PRO  16          2HD       PRO  16  16.337  -8.358  -3.694
  105   2HD   PRO  16          3HD       PRO  16  17.675  -9.488  -3.620
  106    H    GLY  17           HN       GLY  17  14.592  -7.900  -1.798
  107   1HA   GLY  17          1HA       GLY  17  11.768  -8.638  -1.420
  108   2HA   GLY  17          2HA       GLY  17  12.475  -7.387  -0.418
  109    H    ALA  18           HN       ALA  18  11.631  -8.326  -3.770
  110    HA   ALA  18           HA       ALA  18  12.524  -6.071  -5.095
  111   1HB   ALA  18          1HB       ALA  18  11.794  -7.546  -6.649
  112   2HB   ALA  18          2HB       ALA  18  10.628  -8.287  -5.526
  113   3HB   ALA  18          3HB       ALA  18  10.196  -6.800  -6.405
  114    H    HIS  19           HN       HIS  19  11.823  -3.973  -5.279
  115    HA   HIS  19           HA       HIS  19   9.231  -3.132  -4.916
  116   1HB   HIS  19          2HB       HIS  19  10.400  -3.780  -2.434
  117   2HB   HIS  19          3HB       HIS  19  10.432  -2.030  -2.521
  118    HD1  HIS  19           HD1      HIS  19   7.742  -1.530  -4.023
  119    HD2  HIS  19           HD2      HIS  19   8.220  -4.185  -0.810
  120    HE1  HIS  19           HE1      HIS  19   5.430  -1.815  -2.981
  121    H    GLY  20           HN       GLY  20   9.990  -2.029  -6.818
  122   1HA   GLY  20          1HA       GLY  20  12.192  -0.510  -7.181
  123   2HA   GLY  20          2HA       GLY  20  10.614  -0.105  -7.826
  124    H    GLU  21           HN       GLU  21   9.527   0.121  -4.936
  125    HA   GLU  21           HA       GLU  21   9.469   2.758  -4.679
  126   1HB   GLU  21          2HB       GLU  21   8.501   0.715  -3.212
  127   2HB   GLU  21          3HB       GLU  21   9.778   1.211  -2.118
  128   1HG   GLU  21          2HG       GLU  21   7.672   2.393  -1.582
  129   2HG   GLU  21          3HG       GLU  21   8.900   3.532  -2.097
  130    HE2  GLU  21           HE2      GLU  21   6.214   1.773  -4.012
  131    H    CYS  22           HN       CYS  22  12.202   0.642  -3.917
  132    HA   CYS  22           HA       CYS  22  13.735   3.038  -3.269
  133   1HB   CYS  22          2HB       CYS  22  13.053   1.705  -1.195
  134   2HB   CYS  22          3HB       CYS  22  14.131   0.450  -1.773
  135    H    TYR  23           HN       TYR  23  14.337  -0.548  -3.405
  136    HA   TYR  23           HA       TYR  23  16.537  -0.059  -5.229
  137   1HB   TYR  23          2HB       TYR  23  15.347  -2.284  -3.521
  138   2HB   TYR  23          3HB       TYR  23  16.398  -2.762  -4.839
  139    HD1  TYR  23           HD1      TYR  23  18.778  -1.788  -4.902
  140    HD2  TYR  23           HD2      TYR  23  16.246  -1.560  -1.461
  141    HE1  TYR  23           HE1      TYR  23  20.807  -1.369  -3.427
  142    HE2  TYR  23           HE2      TYR  23  18.283  -1.142   0.002
  143    HH   TYR  23           HH       TYR  23  20.415  -0.724   0.037
  144    HA   PRO  24           HA       PRO  24  14.354  -1.299  -8.754
  145   1HB   PRO  24          2HB       PRO  24  16.410  -2.022 -10.402
  146   2HB   PRO  24          3HB       PRO  24  15.928  -0.357 -10.145
  147   1HG   PRO  24          2HG       PRO  24  18.282  -1.790  -9.076
  148   2HG   PRO  24          3HG       PRO  24  18.006  -0.063  -9.189
  149   1HD   PRO  24          2HD       PRO  24  17.812  -1.682  -6.829
  150   2HD   PRO  24          3HD       PRO  24  17.424   0.021  -6.966
  151    H    GLN  25           HN       GLN  25  15.391  -3.344  -6.591
  152    HA   GLN  25           HA       GLN  25  15.881  -5.708  -7.680
  153   1HB   GLN  25          2HB       GLN  25  14.134  -4.928  -5.336
  154   2HB   GLN  25          3HB       GLN  25  14.300  -6.619  -5.765
  155   1HG   GLN  25          2HG       GLN  25  16.535  -6.711  -5.147
  156   2HG   GLN  25          3HG       GLN  25  16.851  -5.054  -5.622
  157   1HE2  GLN  25          1HE2      GLN  25  17.577  -4.018  -3.925
  158   2HE2  GLN  25          2HE2      GLN  25  16.883  -3.993  -2.338
  159    H    ASP  26           HN       ASP  26  12.905  -3.853  -8.008
  160    HA   ASP  26           HA       ASP  26  11.020  -5.668  -8.471
  161   1HB   ASP  26          2HB       ASP  26  10.256  -3.502  -8.797
  162   2HB   ASP  26          3HB       ASP  26  11.700  -3.008  -9.658
  163    HD2  ASP  26           HD2      ASP  26   8.643  -4.696 -10.203
  164    H    TRP  27           HN       TRP  27  13.584  -4.535 -10.781
  165    HA   TRP  27           HA       TRP  27  12.896  -5.733 -13.079
  166   1HB   TRP  27          2HB       TRP  27  15.524  -5.251 -11.747
  167   2HB   TRP  27          3HB       TRP  27  15.495  -6.215 -13.209
  168    HD1  TRP  27           HD1      TRP  27  15.678  -2.671 -12.161
  169    HE1  TRP  27           HE1      TRP  27  15.307  -0.965 -14.139
  170    HE3  TRP  27           HE3      TRP  27  13.831  -6.080 -15.451
  171    HZ2  TRP  27           HZ2      TRP  27  14.305  -1.227 -16.799
  172    HZ3  TRP  27           HZ3      TRP  27  13.180  -5.273 -17.717
  173    HH2  TRP  27           HH2      TRP  27  13.392  -2.938 -18.411
  174    H    LEU  28           HN       LEU  28  14.394  -7.277 -10.172
  175    HA   LEU  28           HA       LEU  28  14.681  -9.816 -11.304
  176   1HB   LEU  28          2HB       LEU  28  14.404  -8.870  -8.453
  177   2HB   LEU  28          3HB       LEU  28  14.726 -10.538  -8.886
  178    HG   LEU  28           HG       LEU  28  16.693  -9.238 -10.284
  179   1HD1  LEU  28          1HD1      LEU  28  16.726  -7.826  -7.633
  180   2HD1  LEU  28          2HD1      LEU  28  17.597  -7.444  -9.138
  181   3HD1  LEU  28          3HD1      LEU  28  15.849  -7.128  -9.016
  182   1HD2  LEU  28          1HD2      LEU  28  16.727 -11.258  -8.696
  183   2HD2  LEU  28          2HD2      LEU  28  18.194 -10.257  -8.812
  184   3HD2  LEU  28          3HD2      LEU  28  17.102 -10.077  -7.418
  185    H    CYS  29           HN       CYS  29  13.383 -11.719 -11.146
  186    HA   CYS  29           HA       CYS  29  11.459 -12.747 -11.493
  187   1HB   CYS  29          2HB       CYS  29  11.562 -12.982  -9.119
  188   2HB   CYS  29          3HB       CYS  29  10.899 -11.380  -8.860
  189    H    ASP  30           HN       ASP  30  11.117 -11.310 -13.444
  190    HA   ASP  30           HA       ASP  30   8.704  -9.747 -13.022
  191   1HB   ASP  30          2HB       ASP  30   9.521  -7.883 -14.126
  192   2HB   ASP  30          3HB       ASP  30  11.022  -8.463 -13.432
  193    H    GLY  31           HN       GLY  31  11.029 -11.169 -15.442
  194   1HA   GLY  31          1HA       GLY  31   9.168 -12.881 -16.637
  195   2HA   GLY  31          2HA       GLY  31   9.191 -11.393 -17.563
  196    H    HIS  32           HN       HIS  32  11.893 -10.582 -17.325
  197    HA   HIS  32           HA       HIS  32  13.261 -12.848 -18.584
  198   1HB   HIS  32          2HB       HIS  32  12.774 -10.116 -19.523
  199   2HB   HIS  32          3HB       HIS  32  14.471 -10.552 -19.570
  200    HD1  HIS  32           HD1      HIS  32  12.260 -10.238 -22.009
  201    HD2  HIS  32           HD2      HIS  32  14.041 -13.738 -20.534
  202    HE1  HIS  32           HE1      HIS  32  12.122 -11.957 -23.890
  203    HA   PRO  33           HA       PRO  33  16.118 -12.165 -15.376
  204   1HB   PRO  33          2HB       PRO  33  17.965 -14.050 -16.085
  205   2HB   PRO  33          3HB       PRO  33  16.523 -14.422 -15.162
  206   1HG   PRO  33          2HG       PRO  33  17.095 -14.974 -18.009
  207   2HG   PRO  33          3HG       PRO  33  15.876 -15.692 -16.975
  208   1HD   PRO  33          2HD       PRO  33  15.457 -13.692 -18.988
  209   2HD   PRO  33          3HD       PRO  33  14.261 -14.327 -17.875
  210    H    ASP  34           HN       ASP  34  17.255 -10.351 -15.178
  211    HA   ASP  34           HA       ASP  34  19.325 -10.062 -17.201
  212   1HB   ASP  34          2HB       ASP  34  18.555  -7.450 -16.369
  213   2HB   ASP  34          3HB       ASP  34  18.362  -8.159 -17.960
  214    H    CYS  35           HN       CYS  35  20.127 -11.225 -14.946
  215    HA   CYS  35           HA       CYS  35  21.018  -9.055 -13.188
  216   1HB   CYS  35          2HB       CYS  35  19.711 -11.535 -12.583
  217   2HB   CYS  35          3HB       CYS  35  21.325 -11.567 -11.901
  218    H    ASP  36           HN       ASP  36  23.022 -10.641 -11.846
  219    HA   ASP  36           HA       ASP  36  25.213 -10.203 -13.218
  220   1HB   ASP  36          2HB       ASP  36  24.786 -11.378 -10.885
  221   2HB   ASP  36          3HB       ASP  36  24.957 -12.869 -11.789
  222    HD2  ASP  36           HD2      ASP  36  26.751 -12.465  -9.886
  223    H    ASP  37           HN       ASP  37  23.214 -13.237 -13.382
  224    HA   ASP  37           HA       ASP  37  24.497 -13.768 -15.943
  225   1HB   ASP  37          2HB       ASP  37  24.911 -15.314 -13.729
  226   2HB   ASP  37          3HB       ASP  37  23.448 -16.071 -14.328
  227    HD2  ASP  37           HD2      ASP  37  25.884 -17.976 -15.148
  228    H    GLY  38           HN       GLY  38  21.740 -14.621 -13.713
  229   1HA   GLY  38          1HA       GLY  38  19.586 -13.769 -14.940
  230   2HA   GLY  38          2HA       GLY  38  19.995 -15.089 -16.017
  231    H    ARG  39           HN       ARG  39  19.586 -14.367 -12.480
  232    HA   ARG  39           HA       ARG  39  18.087 -16.826 -12.310
  233   1HB   ARG  39          2HB       ARG  39  19.295 -17.373 -10.120
  234   2HB   ARG  39          3HB       ARG  39  20.262 -17.581 -11.566
  235   1HG   ARG  39          2HG       ARG  39  21.160 -15.210 -11.197
  236   2HG   ARG  39          3HG       ARG  39  20.332 -15.204  -9.652
  237   1HD   ARG  39          2HD       ARG  39  21.952 -17.645 -10.042
  238   2HD   ARG  39          3HD       ARG  39  22.918 -16.186 -10.132
  239    HE   ARG  39           HE       ARG  39  21.272 -15.814  -7.896
  240   1HH1  ARG  39          1HH1      ARG  39  23.095 -17.460  -5.440
  241   1HH2  ARG  39          2HH2      ARG  39  23.687 -18.208  -8.890
  242   2HH2  ARG  39          1HH2      ARG  39  24.161 -18.586  -7.267
  243    H    ASP  40           HN       ASP  40  17.857 -13.689 -12.157
  244    HA   ASP  40           HA       ASP  40  17.104 -13.230  -9.468
  245   1HB   ASP  40          2HB       ASP  40  16.077 -11.093 -10.602
  246   2HB   ASP  40          3HB       ASP  40  17.819 -11.276 -10.552
  247    H    GLU  41           HN       GLU  41  15.736 -15.043 -11.918
  248    HA   GLU  41           HA       GLU  41  13.164 -14.906 -10.695
  249   1HB   GLU  41          2HB       GLU  41  11.882 -14.336 -12.656
  250   2HB   GLU  41          3HB       GLU  41  13.096 -13.089 -12.455
  251   1HG   GLU  41          2HG       GLU  41  14.552 -14.622 -14.060
  252   2HG   GLU  41          3HG       GLU  41  13.008 -15.328 -14.495
  253    H    TRP  42           HN       TRP  42  15.479 -16.786 -11.122
  254    HA   TRP  42           HA       TRP  42  14.869 -18.668 -13.087
  255   1HB   TRP  42          2HB       TRP  42  16.531 -19.940 -12.172
  256   2HB   TRP  42          3HB       TRP  42  16.981 -18.334 -11.632
  257    HD1  TRP  42           HD1      TRP  42  16.614 -17.810  -8.950
  258    HE1  TRP  42           HE1      TRP  42  16.468 -19.333  -6.799
  259    HE3  TRP  42           HE3      TRP  42  15.694 -22.147 -11.440
  260    HZ2  TRP  42           HZ2      TRP  42  15.995 -22.117  -6.390
  261    HZ3  TRP  42           HZ3      TRP  42  15.402 -24.222 -10.090
  262    HH2  TRP  42           HH2      TRP  42  15.540 -24.254  -7.649
  263    H    GLY  43           HN       GLY  43  14.190 -18.699  -9.506
  264   1HA   GLY  43          1HA       GLY  43  12.348 -20.893  -9.775
  265   2HA   GLY  43          2HA       GLY  43  12.739 -19.988  -8.326
  266    H    CYS  44           HN       CYS  44  12.066 -17.767 -10.813
  267    HA   CYS  44           HA       CYS  44   9.307 -17.546  -9.855
  268   1HB   CYS  44          2HB       CYS  44  11.317 -15.679  -9.700
  269   2HB   CYS  44          3HB       CYS  44  10.487 -15.196 -11.166
  270    H    GLY  45           HN       GLY  45  11.363 -18.394 -12.461
  271   1HA   GLY  45          1HA       GLY  45   9.928 -17.360 -14.669
  272   2HA   GLY  45          2HA       GLY  45  11.064 -18.694 -14.672
  273    H    THR  46           HN       THR  46  10.326 -20.839 -14.655
  274    HA   THR  46           HA       THR  46   8.817 -22.383 -15.320
  275    HB   THR  46           HB       THR  46   7.405 -23.006 -13.406
  276    HG1  THR  46           HG1      THR  46   6.508 -21.301 -12.314
  277   1HG2  THR  46          1HG2      THR  46  10.151 -22.390 -13.108
  278   2HG2  THR  46          2HG2      THR  46   9.363 -21.587 -11.728
  279   3HG2  THR  46          3HG2      THR  46   9.161 -23.339 -11.973
  280    H    SER  47           HN       SER  47   8.174 -21.252 -17.286
  281    HA   SER  47           HA       SER  47   6.754 -20.251 -18.618
  282   1HB   SER  47          2HB       SER  47   4.776 -21.875 -16.957
  283   2HB   SER  47          3HB       SER  47   4.412 -21.180 -18.524
  284    HG   SER  47           HG       SER  47   5.941 -23.449 -17.872
  Start of MODEL    7
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   3.108   0.283  -1.052
    3   2HA   GLY   1          2HA       GLY   1   2.091  -1.006  -1.663
    4    H    SER   2           HN       SER   2   0.134  -0.475  -2.898
    5    HA   SER   2           HA       SER   2   0.524   2.003  -4.311
    6   1HB   SER   2          2HB       SER   2  -1.378   0.963  -5.768
    7   2HB   SER   2          3HB       SER   2   0.215   0.234  -5.824
    8    HG   SER   2           HG       SER   2  -0.862  -1.567  -5.356
    9    H    SER   3           HN       SER   3  -0.513   3.801  -3.524
   10    HA   SER   3           HA       SER   3  -3.208   4.009  -3.383
   11   1HB   SER   3          2HB       SER   3  -2.269   2.586  -1.104
   12   2HB   SER   3          3HB       SER   3  -2.646   4.198  -0.529
   13    HG   SER   3           HG       SER   3  -4.484   2.695  -0.480
   14    H    ARG   4           HN       ARG   4  -3.698   6.217  -3.284
   15    HA   ARG   4           HA       ARG   4  -1.438   7.924  -2.967
   16   1HB   ARG   4          2HB       ARG   4  -3.018   9.712  -3.732
   17   2HB   ARG   4          3HB       ARG   4  -3.024   8.332  -4.812
   18   1HG   ARG   4          2HG       ARG   4  -5.183   7.728  -4.262
   19   2HG   ARG   4          3HG       ARG   4  -4.997   8.175  -2.578
   20   1HD   ARG   4          2HD       ARG   4  -5.359  10.514  -3.045
   21   2HD   ARG   4          3HD       ARG   4  -5.134  10.288  -4.768
   22    HE   ARG   4           HE       ARG   4  -7.564   9.679  -3.219
   23   1HH1  ARG   4          1HH1      ARG   4  -9.379   8.740  -6.028
   24   1HH2  ARG   4          2HH2      ARG   4  -5.837   9.196  -6.275
   25   2HH2  ARG   4          1HH2      ARG   4  -7.266   8.776  -7.159
   26    H    CYS   5           HN       CYS   5  -1.848   6.777  -0.508
   27    HA   CYS   5           HA       CYS   5  -2.164   8.939   1.169
   28   1HB   CYS   5          2HB       CYS   5  -4.493   9.007   0.736
   29   2HB   CYS   5          3HB       CYS   5  -4.660   7.270   0.896
   30    HA   PRO   6           HA       PRO   6  -0.288   5.087   2.693
   31   1HB   PRO   6          2HB       PRO   6   2.219   6.067   3.170
   32   2HB   PRO   6          3HB       PRO   6   1.770   5.268   1.676
   33   1HG   PRO   6          2HG       PRO   6   2.190   8.150   2.183
   34   2HG   PRO   6          3HG       PRO   6   2.164   7.297   0.653
   35   1HD   PRO   6          2HD       PRO   6   0.074   8.931   1.742
   36   2HD   PRO   6          3HD       PRO   6   0.005   7.986   0.268
   37    HA   PRO   7           HA       PRO   7  -0.490   5.910   6.855
   38   1HB   PRO   7          2HB       PRO   7   1.383   4.310   8.040
   39   2HB   PRO   7          3HB       PRO   7  -0.172   3.719   7.490
   40   1HG   PRO   7          2HG       PRO   7   2.490   3.352   6.259
   41   2HG   PRO   7          3HG       PRO   7   1.018   2.442   5.983
   42   1HD   PRO   7          2HD       PRO   7   2.146   4.443   4.265
   43   2HD   PRO   7          3HD       PRO   7   0.616   3.616   4.047
   44    H    GLY   8           HN       GLY   8   0.038   7.356   8.450
   45   1HA   GLY   8          1HA       GLY   8   2.680   8.114   8.983
   46   2HA   GLY   8          2HA       GLY   8   2.039   9.213   7.778
   47    H    GLN   9           HN       GLN   9   1.479   7.846  11.061
   48    HA   GLN   9           HA       GLN   9  -0.012  10.286  11.635
   49   1HB   GLN   9          2HB       GLN   9  -1.283   7.970  11.580
   50   2HB   GLN   9          3HB       GLN   9  -0.518   7.705  13.134
   51   1HG   GLN   9          2HG       GLN   9  -1.443  10.214  13.577
   52   2HG   GLN   9          3HG       GLN   9  -2.608   9.727  12.362
   53   1HE2  GLN   9          1HE2      GLN   9  -3.841  10.186  14.486
   54   2HE2  GLN   9          2HE2      GLN   9  -4.227   8.805  15.458
   55    H    PHE  10           HN       PHE  10   2.900   9.722  11.833
   56    HA   PHE  10           HA       PHE  10   3.591   9.088  14.469
   57   1HB   PHE  10          2HB       PHE  10   5.771  10.109  13.733
   58   2HB   PHE  10          3HB       PHE  10   5.118   9.081  12.473
   59    HD1  PHE  10           HD1      PHE  10   7.116  10.935  11.684
   60    HD2  PHE  10           HD2      PHE  10   2.961  11.630  12.192
   61    HE1  PHE  10           HE1      PHE  10   7.237  12.846  10.062
   62    HE2  PHE  10           HE2      PHE  10   3.082  13.541  10.570
   63    HZ   PHE  10           HZ       PHE  10   5.219  14.127   9.524
   64    H    ARG  11           HN       ARG  11   5.415  11.378  14.968
   65    HA   ARG  11           HA       ARG  11   3.373  13.244  15.877
   66   1HB   ARG  11          2HB       ARG  11   5.332  11.805  17.353
   67   2HB   ARG  11          3HB       ARG  11   5.938  13.449  17.293
   68   1HG   ARG  11          2HG       ARG  11   3.020  13.202  17.884
   69   2HG   ARG  11          3HG       ARG  11   4.082  12.551  19.117
   70   1HD   ARG  11          2HD       ARG  11   5.365  14.918  18.627
   71   2HD   ARG  11          3HD       ARG  11   3.727  15.391  18.222
   72    HE   ARG  11           HE       ARG  11   3.107  15.168  20.482
   73   1HH1  ARG  11          1HH1      ARG  11   4.956  14.216  23.264
   74   1HH2  ARG  11          2HH2      ARG  11   6.299  13.712  19.985
   75   2HH2  ARG  11          1HH2      ARG  11   6.608  13.510  21.677
   76    H    CYS  12           HN       CYS  12   5.151  13.042  13.316
   77    HA   CYS  12           HA       CYS  12   5.978  14.544  11.926
   78   1HB   CYS  12          2HB       CYS  12   4.481  16.194  13.108
   79   2HB   CYS  12          3HB       CYS  12   5.852  16.632  14.106
   80    H    SER  13           HN       SER  13   7.667  12.749  12.996
   81    HA   SER  13           HA       SER  13  10.042  14.343  13.446
   82   1HB   SER  13          2HB       SER  13  10.750  12.484  15.142
   83   2HB   SER  13          3HB       SER  13   9.671  13.753  15.687
   84    HG   SER  13           HG       SER  13   9.163  11.301  16.070
   85    H    GLU  14           HN       GLU  14   8.495  12.399  11.421
   86    HA   GLU  14           HA       GLU  14  10.705  11.544  10.082
   87   1HB   GLU  14          2HB       GLU  14  10.430   8.992  10.475
   88   2HB   GLU  14          3HB       GLU  14  11.310   9.914  11.677
   89   1HG   GLU  14          2HG       GLU  14   9.075  10.153  12.948
   90   2HG   GLU  14          3HG       GLU  14   8.415   8.968  11.837
   91    HE2  GLU  14           HE2      GLU  14  10.322   7.753  14.946
   92    HA   PRO  15           HA       PRO  15   7.111  11.249   7.562
   93   1HB   PRO  15          2HB       PRO  15   8.365  11.580   5.157
   94   2HB   PRO  15          3HB       PRO  15   7.826  12.920   6.149
   95   1HG   PRO  15          2HG       PRO  15  10.573  11.911   5.731
   96   2HG   PRO  15          3HG       PRO  15  10.057  13.466   6.353
   97   1HD   PRO  15          2HD       PRO  15  11.075  11.259   7.877
   98   2HD   PRO  15          3HD       PRO  15  10.451  12.770   8.509
   99    HA   PRO  16           HA       PRO  16   7.581   7.020   6.829
  100   1HB   PRO  16          2HB       PRO  16   4.937   6.345   6.980
  101   2HB   PRO  16          3HB       PRO  16   5.992   6.401   8.377
  102   1HG   PRO  16          2HG       PRO  16   3.899   8.320   7.558
  103   2HG   PRO  16          3HG       PRO  16   4.655   8.124   9.126
  104   1HD   PRO  16          2HD       PRO  16   5.199  10.182   7.205
  105   2HD   PRO  16          3HD       PRO  16   6.035   9.918   8.722
  106    H    GLY  17           HN       GLY  17   4.876   8.737   5.334
  107   1HA   GLY  17          1HA       GLY  17   5.832   7.702   2.747
  108   2HA   GLY  17          2HA       GLY  17   4.160   7.475   3.220
  109    H    ALA  18           HN       ALA  18   6.596  10.185   3.313
  110    HA   ALA  18           HA       ALA  18   4.992  12.314   3.312
  111   1HB   ALA  18          1HB       ALA  18   7.587  11.691   1.923
  112   2HB   ALA  18          2HB       ALA  18   6.804  13.261   1.623
  113   3HB   ALA  18          3HB       ALA  18   7.262  12.797   3.279
  114    H    HIS  19           HN       HIS  19   3.215  12.921   2.191
  115    HA   HIS  19           HA       HIS  19   3.151  13.130  -0.551
  116   1HB   HIS  19          2HB       HIS  19   2.717  10.437   0.310
  117   2HB   HIS  19          3HB       HIS  19   1.196  11.059  -0.297
  118    HD1  HIS  19           HD1      HIS  19   1.717  12.543  -2.754
  119    HD2  HIS  19           HD2      HIS  19   4.103   9.256  -1.707
  120    HE1  HIS  19           HE1      HIS  19   2.809  11.735  -4.914
  121    H    GLY  20           HN       GLY  20   2.321  15.154   0.206
  122   1HA   GLY  20          1HA       GLY  20   0.381  15.719   1.967
  123   2HA   GLY  20          2HA       GLY  20   0.552  16.553   0.436
  124    H    GLU  21           HN       GLU  21  -0.014  13.925  -1.070
  125    HA   GLU  21           HA       GLU  21  -2.531  14.313  -1.772
  126   1HB   GLU  21          2HB       GLU  21  -0.640  12.386  -2.291
  127   2HB   GLU  21          3HB       GLU  21  -1.862  11.424  -1.484
  128   1HG   GLU  21          2HG       GLU  21  -2.213  11.519  -3.961
  129   2HG   GLU  21          3HG       GLU  21  -3.582  12.156  -3.072
  130    HE2  GLU  21           HE2      GLU  21  -3.355  15.090  -4.855
  131    H    CYS  22           HN       CYS  22  -1.428  12.882   1.267
  132    HA   CYS  22           HA       CYS  22  -4.220  12.745   2.094
  133   1HB   CYS  22          2HB       CYS  22  -3.367  10.454   1.470
  134   2HB   CYS  22          3HB       CYS  22  -2.215  10.592   2.783
  135    H    TYR  23           HN       TYR  23  -0.893  12.029   3.405
  136    HA   TYR  23           HA       TYR  23  -1.520  13.719   5.697
  137   1HB   TYR  23          2HB       TYR  23   0.483  11.573   4.858
  138   2HB   TYR  23          3HB       TYR  23   0.928  12.634   6.180
  139    HD1  TYR  23           HD1      TYR  23  -1.229  12.942   7.917
  140    HD2  TYR  23           HD2      TYR  23  -0.324   9.513   5.525
  141    HE1  TYR  23           HE1      TYR  23  -2.525  11.466   9.531
  142    HE2  TYR  23           HE2      TYR  23  -1.623   8.048   7.146
  143    HH   TYR  23           HH       TYR  23  -2.418   8.982  10.177
  144    HA   PRO  24           HA       PRO  24   0.988  16.907   4.152
  145   1HB   PRO  24          2HB       PRO  24   1.136  18.464   6.393
  146   2HB   PRO  24          3HB       PRO  24  -0.225  18.500   5.290
  147   1HG   PRO  24          2HG       PRO  24  -0.044  17.267   7.970
  148   2HG   PRO  24          3HG       PRO  24  -1.475  17.684   7.048
  149   1HD   PRO  24          2HD       PRO  24  -0.366  15.063   7.404
  150   2HD   PRO  24          3HD       PRO  24  -1.727  15.496   6.389
  151    H    GLN  25           HN       GLN  25   2.003  14.480   5.969
  152    HA   GLN  25           HA       GLN  25   4.278  15.408   7.170
  153   1HB   GLN  25          2HB       GLN  25   5.004  13.104   7.216
  154   2HB   GLN  25          3HB       GLN  25   3.261  13.109   7.395
  155   1HG   GLN  25          2HG       GLN  25   3.673  13.021   4.599
  156   2HG   GLN  25          3HG       GLN  25   4.905  11.957   5.250
  157   1HE2  GLN  25          1HE2      GLN  25   2.997  10.888   3.720
  158   2HE2  GLN  25          2HE2      GLN  25   1.878   9.933   4.635
  159    H    ASP  26           HN       ASP  26   3.486  15.365   3.832
  160    HA   ASP  26           HA       ASP  26   5.797  14.706   2.594
  161   1HB   ASP  26          2HB       ASP  26   4.017  15.232   1.158
  162   2HB   ASP  26          3HB       ASP  26   3.591  16.683   2.044
  163    HD2  ASP  26           HD2      ASP  26   4.882  18.803   0.871
  164    H    TRP  27           HN       TRP  27   4.902  17.642   4.433
  165    HA   TRP  27           HA       TRP  27   6.833  19.406   3.564
  166   1HB   TRP  27          2HB       TRP  27   5.324  19.037   6.122
  167   2HB   TRP  27          3HB       TRP  27   6.626  20.208   6.056
  168    HD1  TRP  27           HD1      TRP  27   3.002  19.975   5.368
  169    HE1  TRP  27           HE1      TRP  27   2.047  22.034   4.022
  170    HE3  TRP  27           HE3      TRP  27   7.525  21.809   3.941
  171    HZ2  TRP  27           HZ2      TRP  27   3.263  24.151   2.544
  172    HZ3  TRP  27           HZ3      TRP  27   7.553  23.876   2.548
  173    HH2  TRP  27           HH2      TRP  27   5.519  25.039   1.850
  174    H    LEU  28           HN       LEU  28   6.976  16.630   5.833
  175    HA   LEU  28           HA       LEU  28   9.543  17.216   6.834
  176   1HB   LEU  28          2HB       LEU  28   7.949  14.656   6.696
  177   2HB   LEU  28          3HB       LEU  28   9.476  14.816   7.541
  178    HG   LEU  28           HG       LEU  28   8.135  16.855   8.694
  179   1HD1  LEU  28          1HD1      LEU  28   6.067  16.610   7.550
  180   2HD1  LEU  28          2HD1      LEU  28   6.023  14.857   7.860
  181   3HD1  LEU  28          3HD1      LEU  28   5.820  16.004   9.206
  182   1HD2  LEU  28          1HD2      LEU  28   8.989  15.524  10.284
  183   2HD2  LEU  28          2HD2      LEU  28   7.362  14.801  10.318
  184   3HD2  LEU  28          3HD2      LEU  28   8.656  14.036   9.365
  185    H    CYS  29           HN       CYS  29  11.583  16.180   6.337
  186    HA   CYS  29           HA       CYS  29  13.178  15.725   4.887
  187   1HB   CYS  29          2HB       CYS  29  11.212  13.581   4.673
  188   2HB   CYS  29          3HB       CYS  29  12.182  13.735   3.222
  189    H    ASP  30           HN       ASP  30  12.913  17.893   3.879
  190    HA   ASP  30           HA       ASP  30  12.102  17.577   1.120
  191   1HB   ASP  30          2HB       ASP  30  11.163  20.011   1.328
  192   2HB   ASP  30          3HB       ASP  30  10.164  18.679   1.873
  193    H    GLY  31           HN       GLY  31  13.212  20.104   3.517
  194   1HA   GLY  31          1HA       GLY  31  15.854  20.255   2.622
  195   2HA   GLY  31          2HA       GLY  31  14.926  21.438   1.722
  196    H    HIS  32           HN       HIS  32  12.932  21.933   3.871
  197    HA   HIS  32           HA       HIS  32  14.702  23.296   5.769
  198   1HB   HIS  32          2HB       HIS  32  12.940  24.442   3.907
  199   2HB   HIS  32          3HB       HIS  32  12.106  24.560   5.443
  200    HD1  HIS  32           HD1      HIS  32  12.627  26.643   6.705
  201    HD2  HIS  32           HD2      HIS  32  15.816  25.459   4.252
  202    HE1  HIS  32           HE1      HIS  32  14.432  28.426   6.970
  203    HA   PRO  33           HA       PRO  33  12.415  20.930   8.624
  204   1HB   PRO  33          2HB       PRO  33  13.668  21.776  10.901
  205   2HB   PRO  33          3HB       PRO  33  14.293  20.494   9.883
  206   1HG   PRO  33          2HG       PRO  33  15.233  23.286  10.136
  207   2HG   PRO  33          3HG       PRO  33  16.075  21.900   9.472
  208   1HD   PRO  33          2HD       PRO  33  14.834  24.023   7.995
  209   2HD   PRO  33          3HD       PRO  33  15.575  22.579   7.333
  210    H    ASP  34           HN       ASP  34  10.437  21.104   9.494
  211    HA   ASP  34           HA       ASP  34   9.888  23.613  10.788
  212   1HB   ASP  34          2HB       ASP  34   7.717  23.841   9.497
  213   2HB   ASP  34          3HB       ASP  34   9.159  24.149   8.549
  214    H    CYS  35           HN       CYS  35  10.263  20.956  11.820
  215    HA   CYS  35           HA       CYS  35   7.521  20.073  12.330
  216   1HB   CYS  35          2HB       CYS  35  10.011  18.663  11.837
  217   2HB   CYS  35          3HB       CYS  35   9.288  18.159  13.352
  218    H    ASP  36           HN       ASP  36   8.070  18.646  14.746
  219    HA   ASP  36           HA       ASP  36   7.602  20.354  16.665
  220   1HB   ASP  36          2HB       ASP  36   8.705  17.696  16.502
  221   2HB   ASP  36          3HB       ASP  36   9.593  18.552  17.747
  222    HD2  ASP  36           HD2      ASP  36   7.718  18.191  20.063
  223    H    ASP  37           HN       ASP  37  10.950  19.305  15.670
  224    HA   ASP  37           HA       ASP  37  11.925  21.750  16.927
  225   1HB   ASP  37          2HB       ASP  37  12.639  19.173  17.575
  226   2HB   ASP  37          3HB       ASP  37  13.837  19.523  16.345
  227    HD2  ASP  37           HD2      ASP  37  13.362  20.244  19.817
  228    H    GLY  38           HN       GLY  38  12.846  19.205  14.469
  229   1HA   GLY  38          1HA       GLY  38  12.750  20.453  12.145
  230   2HA   GLY  38          2HA       GLY  38  14.159  21.236  12.833
  231    H    ARG  39           HN       ARG  39  13.004  17.817  13.193
  232    HA   ARG  39           HA       ARG  39  15.582  17.039  12.090
  233   1HB   ARG  39          2HB       ARG  39  15.002  14.809  13.362
  234   2HB   ARG  39          3HB       ARG  39  15.551  16.186  14.296
  235   1HG   ARG  39          2HG       ARG  39  13.242  16.782  14.889
  236   2HG   ARG  39          3HG       ARG  39  12.603  15.554  13.814
  237   1HD   ARG  39          2HD       ARG  39  14.386  14.961  16.227
  238   2HD   ARG  39          3HD       ARG  39  12.637  14.851  16.245
  239    HE   ARG  39           HE       ARG  39  13.393  13.280  14.067
  240   1HH1  ARG  39          1HH1      ARG  39  14.196  10.272  15.606
  241   1HH2  ARG  39          2HH2      ARG  39  14.170  13.294  17.524
  242   2HH2  ARG  39          1HH2      ARG  39  14.445  11.586  17.595
  243    H    ASP  40           HN       ASP  40  12.310  17.301  11.372
  244    HA   ASP  40           HA       ASP  40  11.447  14.966  10.418
  245   1HB   ASP  40          2HB       ASP  40  10.159  16.263   8.743
  246   2HB   ASP  40          3HB       ASP  40  10.163  17.071  10.298
  247    H    GLU  41           HN       GLU  41  14.071  17.018   9.196
  248    HA   GLU  41           HA       GLU  41  14.486  15.068   7.072
  249   1HB   GLU  41          2HB       GLU  41  15.271  16.872   5.581
  250   2HB   GLU  41          3HB       GLU  41  13.610  17.146   6.068
  251   1HG   GLU  41          2HG       GLU  41  14.911  18.485   8.076
  252   2HG   GLU  41          3HG       GLU  41  16.078  18.681   6.783
  253    H    TRP  42           HN       TRP  42  15.577  14.950   9.716
  254    HA   TRP  42           HA       TRP  42  18.012  16.199  10.055
  255   1HB   TRP  42          2HB       TRP  42  16.949  15.044  11.850
  256   2HB   TRP  42          3HB       TRP  42  16.987  13.519  10.988
  257    HD1  TRP  42           HD1      TRP  42  20.133  15.760  11.178
  258    HE1  TRP  42           HE1      TRP  42  22.061  14.575  12.536
  259    HE3  TRP  42           HE3      TRP  42  17.332  11.807  12.722
  260    HZ2  TRP  42           HZ2      TRP  42  22.195  12.171  14.069
  261    HZ3  TRP  42           HZ3      TRP  42  18.438  10.086  14.146
  262    HH2  TRP  42           HH2      TRP  42  20.783  10.222  14.821
  263    H    GLY  43           HN       GLY  43  18.133  12.665   9.608
  264   1HA   GLY  43          1HA       GLY  43  20.460  12.897   7.946
  265   2HA   GLY  43          2HA       GLY  43  19.661  11.431   8.477
  266    H    CYS  44           HN       CYS  44  18.576  14.303   6.520
  267    HA   CYS  44           HA       CYS  44  17.741  12.373   4.478
  268   1HB   CYS  44          2HB       CYS  44  16.101  14.042   5.875
  269   2HB   CYS  44          3HB       CYS  44  16.473  15.039   4.483
  270    H    GLY  45           HN       GLY  45  20.034  14.665   5.360
  271   1HA   GLY  45          1HA       GLY  45  20.239  16.214   2.976
  272   2HA   GLY  45          2HA       GLY  45  21.427  16.057   4.254
  273    H    THR  46           HN       THR  46  20.817  15.418   1.004
  274    HA   THR  46           HA       THR  46  23.044  13.521   0.931
  275    HB   THR  46           HB       THR  46  20.964  12.165   0.840
  276    HG1  THR  46           HG1      THR  46  22.598  11.426  -0.574
  277   1HG2  THR  46          1HG2      THR  46  19.857  14.346  -0.539
  278   2HG2  THR  46          2HG2      THR  46  20.157  13.156  -1.828
  279   3HG2  THR  46          3HG2      THR  46  19.137  12.721  -0.435
  280    H    SER  47           HN       SER  47  23.703  16.012   0.578
  281    HA   SER  47           HA       SER  47  23.789  16.244  -2.323
  282   1HB   SER  47          2HB       SER  47  22.352  17.982  -0.755
  283   2HB   SER  47          3HB       SER  47  23.910  18.785  -0.764
  284    HG   SER  47           HG       SER  47  23.129  19.581  -2.619
  Start of MODEL    8
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   3.142   0.028  -1.032
    3   2HA   GLY   1          2HA       GLY   1   1.881  -0.925  -1.789
    4    H    SER   2           HN       SER   2   3.558   1.226  -2.980
    5    HA   SER   2           HA       SER   2   2.177   3.599  -3.151
    6   1HB   SER   2          2HB       SER   2   4.501   2.454  -4.277
    7   2HB   SER   2          3HB       SER   2   3.514   2.883  -5.660
    8    HG   SER   2           HG       SER   2   4.824   4.675  -5.071
    9    H    SER   3           HN       SER   3   1.113   4.453  -5.273
   10    HA   SER   3           HA       SER   3  -1.014   2.664  -5.863
   11   1HB   SER   3          2HB       SER   3  -0.558   5.495  -5.932
   12   2HB   SER   3          3HB       SER   3  -1.027   5.015  -7.551
   13    HG   SER   3           HG       SER   3  -2.921   5.468  -6.371
   14    H    ARG   4           HN       ARG   4   1.405   4.505  -7.877
   15    HA   ARG   4           HA       ARG   4   1.602   2.189  -9.566
   16   1HB   ARG   4          2HB       ARG   4   1.171   3.449 -11.643
   17   2HB   ARG   4          3HB       ARG   4  -0.226   3.563 -10.591
   18   1HG   ARG   4          2HG       ARG   4   1.723   5.714 -10.070
   19   2HG   ARG   4          3HG       ARG   4   1.176   5.716 -11.735
   20   1HD   ARG   4          2HD       ARG   4  -1.188   5.280 -10.261
   21   2HD   ARG   4          3HD       ARG   4  -0.300   6.435  -9.286
   22    HE   ARG   4           HE       ARG   4  -0.584   8.055 -10.963
   23   1HH1  ARG   4          1HH1      ARG   4  -2.047   7.871 -14.108
   24   1HH2  ARG   4          2HH2      ARG   4  -1.387   4.866 -12.280
   25   2HH2  ARG   4          1HH2      ARG   4  -2.031   5.500 -13.757
   26    H    CYS   5           HN       CYS   5   3.564   2.905  -7.851
   27    HA   CYS   5           HA       CYS   5   5.737   3.415  -9.475
   28   1HB   CYS   5          2HB       CYS   5   5.077   5.680  -9.716
   29   2HB   CYS   5          3HB       CYS   5   4.730   5.849  -8.007
   30    HA   PRO   6           HA       PRO   6   6.302   1.711  -5.289
   31   1HB   PRO   6          2HB       PRO   6   7.236  -0.753  -6.014
   32   2HB   PRO   6          3HB       PRO   6   5.550  -0.434  -5.658
   33   1HG   PRO   6          2HG       PRO   6   6.846  -0.841  -8.284
   34   2HG   PRO   6          3HG       PRO   6   5.147  -0.946  -7.871
   35   1HD   PRO   6          2HD       PRO   6   6.452   1.215  -9.232
   36   2HD   PRO   6          3HD       PRO   6   4.778   1.160  -8.716
   37    HA   PRO   7           HA       PRO   7  10.499   2.285  -4.981
   38   1HB   PRO   7          2HB       PRO   7  11.366   0.548  -3.056
   39   2HB   PRO   7          3HB       PRO   7  10.548   2.054  -2.690
   40   1HG   PRO   7          2HG       PRO   7   9.494  -0.705  -2.567
   41   2HG   PRO   7          3HG       PRO   7   8.860   0.747  -1.818
   42   1HD   PRO   7          2HD       PRO   7   7.845  -0.560  -4.161
   43   2HD   PRO   7          3HD       PRO   7   7.284   0.953  -3.479
   44    H    GLY   8           HN       GLY   8  12.572   1.807  -5.742
   45   1HA   GLY   8          1HA       GLY   8  13.384  -0.807  -6.330
   46   2HA   GLY   8          2HA       GLY   8  12.598  -0.158  -7.755
   47    H    GLN   9           HN       GLN   9  15.224   0.425  -5.362
   48    HA   GLN   9           HA       GLN   9  16.562   1.946  -7.459
   49   1HB   GLN   9          2HB       GLN   9  17.657   3.259  -5.561
   50   2HB   GLN   9          3HB       GLN   9  15.956   3.585  -5.825
   51   1HG   GLN   9          2HG       GLN   9  16.626   1.385  -3.889
   52   2HG   GLN   9          3HG       GLN   9  16.978   3.022  -3.374
   53   1HE2  GLN   9          1HE2      GLN   9  15.372   2.647  -1.754
   54   2HE2  GLN   9          2HE2      GLN   9  13.688   2.865  -2.099
   55    H    PHE  10           HN       PHE  10  16.638  -0.952  -6.836
   56    HA   PHE  10           HA       PHE  10  18.899  -1.559  -5.300
   57   1HB   PHE  10          2HB       PHE  10  18.628  -3.764  -6.475
   58   2HB   PHE  10          3HB       PHE  10  17.065  -3.142  -5.981
   59    HD1  PHE  10           HD1      PHE  10  17.080  -5.183  -7.968
   60    HD2  PHE  10           HD2      PHE  10  17.634  -1.009  -8.489
   61    HE1  PHE  10           HE1      PHE  10  16.259  -5.369 -10.333
   62    HE2  PHE  10           HE2      PHE  10  16.814  -1.195 -10.854
   63    HZ   PHE  10           HZ       PHE  10  16.136  -3.373 -11.747
   64    H    ARG  11           HN       ARG  11  20.235  -3.368  -7.228
   65    HA   ARG  11           HA       ARG  11  21.669  -1.307  -8.701
   66   1HB   ARG  11          2HB       ARG  11  22.604  -3.224  -6.800
   67   2HB   ARG  11          3HB       ARG  11  23.188  -3.782  -8.355
   68   1HG   ARG  11          2HG       ARG  11  23.502  -0.882  -7.477
   69   2HG   ARG  11          3HG       ARG  11  24.683  -2.105  -7.050
   70   1HD   ARG  11          2HD       ARG  11  24.520  -2.627  -9.709
   71   2HD   ARG  11          3HD       ARG  11  24.045  -0.941  -9.751
   72    HE   ARG  11           HE       ARG  11  26.252  -0.354  -9.279
   73   1HH1  ARG  11          1HH1      ARG  11  28.970  -2.157  -8.084
   74   1HH2  ARG  11          2HH2      ARG  11  25.742  -3.697  -8.221
   75   2HH2  ARG  11          1HH2      ARG  11  27.401  -3.945  -7.789
   76    H    CYS  12           HN       CYS  12  19.260  -3.060  -9.452
   77    HA   CYS  12           HA       CYS  12  18.525  -4.020 -11.289
   78   1HB   CYS  12          2HB       CYS  12  19.896  -2.509 -12.583
   79   2HB   CYS  12          3HB       CYS  12  21.305  -3.530 -12.371
   80    H    SER  13           HN       SER  13  18.867  -5.702  -9.286
   81    HA   SER  13           HA       SER  13  19.953  -8.038 -10.574
   82   1HB   SER  13          2HB       SER  13  20.969  -8.648  -8.212
   83   2HB   SER  13          3HB       SER  13  21.884  -7.655  -9.330
   84    HG   SER  13           HG       SER  13  20.555  -6.919  -6.917
   85    H    GLU  14           HN       GLU  14  17.365  -6.570  -9.407
   86    HA   GLU  14           HA       GLU  14  15.903  -8.818  -8.971
   87   1HB   GLU  14          2HB       GLU  14  15.471  -8.512  -6.423
   88   2HB   GLU  14          3HB       GLU  14  16.918  -9.368  -6.917
   89   1HG   GLU  14          2HG       GLU  14  18.224  -7.218  -6.713
   90   2HG   GLU  14          3HG       GLU  14  16.773  -6.416  -6.142
   91    HE2  GLU  14           HE2      GLU  14  18.353  -6.894  -3.328
   92    HA   PRO  15           HA       PRO  15  13.324  -5.291  -9.527
   93   1HB   PRO  15          2HB       PRO  15  11.213  -6.606 -10.659
   94   2HB   PRO  15          3HB       PRO  15  12.577  -6.010 -11.583
   95   1HG   PRO  15          2HG       PRO  15  11.940  -8.789 -10.802
   96   2HG   PRO  15          3HG       PRO  15  13.030  -8.222 -12.053
   97   1HD   PRO  15          2HD       PRO  15  13.760  -9.243  -9.473
   98   2HD   PRO  15          3HD       PRO  15  14.840  -8.569 -10.678
   99    HA   PRO  16           HA       PRO  16  11.218  -5.837  -5.806
  100   1HB   PRO  16          2HB       PRO  16  10.951  -3.194  -5.161
  101   2HB   PRO  16          3HB       PRO  16  12.356  -4.149  -4.729
  102   1HG   PRO  16          2HG       PRO  16  12.084  -2.102  -6.845
  103   2HG   PRO  16          3HG       PRO  16  13.545  -2.748  -6.123
  104   1HD   PRO  16          2HD       PRO  16  12.466  -3.409  -8.697
  105   2HD   PRO  16          3HD       PRO  16  13.861  -4.138  -7.926
  106    H    GLY  17           HN       GLY  17  10.179  -3.123  -7.827
  107   1HA   GLY  17          1HA       GLY  17   7.474  -4.306  -7.760
  108   2HA   GLY  17          2HA       GLY  17   7.731  -2.612  -7.392
  109    H    ALA  18           HN       ALA  18   8.880  -4.979  -9.914
  110    HA   ALA  18           HA       ALA  18   9.434  -3.271 -11.919
  111   1HB   ALA  18          1HB       ALA  18   8.231  -5.330 -13.275
  112   2HB   ALA  18          2HB       ALA  18   9.872  -5.399 -12.589
  113   3HB   ALA  18          3HB       ALA  18   8.498  -6.074 -11.680
  114    H    HIS  19           HN       HIS  19   8.352  -1.663 -12.933
  115    HA   HIS  19           HA       HIS  19   5.843  -1.957 -14.022
  116   1HB   HIS  19          2HB       HIS  19   5.743  -1.398 -11.197
  117   2HB   HIS  19          3HB       HIS  19   5.100  -0.027 -12.079
  118    HD1  HIS  19           HD1      HIS  19   4.242  -3.418 -10.939
  119    HD2  HIS  19           HD2      HIS  19   2.869  -0.741 -13.863
  120    HE1  HIS  19           HE1      HIS  19   1.935  -4.250 -11.643
  121    H    GLY  20           HN       GLY  20   6.968  -0.966 -15.745
  122   1HA   GLY  20          1HA       GLY  20   8.608   1.157 -15.801
  123   2HA   GLY  20          2HA       GLY  20   7.390   0.857 -17.025
  124    H    GLU  21           HN       GLU  21   5.173   1.191 -14.909
  125    HA   GLU  21           HA       GLU  21   4.339   3.631 -15.477
  126   1HB   GLU  21          2HB       GLU  21   3.460   1.664 -13.826
  127   2HB   GLU  21          3HB       GLU  21   3.946   2.832 -12.613
  128   1HG   GLU  21          2HG       GLU  21   2.231   4.264 -13.121
  129   2HG   GLU  21          3HG       GLU  21   2.437   4.056 -14.849
  130    HE2  GLU  21           HE2      GLU  21   0.437   1.983 -15.575
  131    H    CYS  22           HN       CYS  22   6.967   2.807 -13.253
  132    HA   CYS  22           HA       CYS  22   7.419   5.667 -12.900
  133   1HB   CYS  22          2HB       CYS  22   6.316   4.670 -10.863
  134   2HB   CYS  22          3HB       CYS  22   7.740   3.670 -10.655
  135    H    TYR  23           HN       TYR  23   8.909   2.541 -11.774
  136    HA   TYR  23           HA       TYR  23  11.453   3.449 -12.859
  137   1HB   TYR  23          2HB       TYR  23  10.416   1.160 -11.084
  138   2HB   TYR  23          3HB       TYR  23  12.094   1.234 -11.583
  139    HD1  TYR  23           HD1      TYR  23  13.640   2.782 -10.563
  140    HD2  TYR  23           HD2      TYR  23   9.485   2.887  -9.548
  141    HE1  TYR  23           HE1      TYR  23  14.155   4.286  -8.579
  142    HE2  TYR  23           HE2      TYR  23  10.014   4.391  -7.568
  143    HH   TYR  23           HH       TYR  23  12.121   4.743  -6.090
  144    HA   PRO  24           HA       PRO  24  11.244   0.754 -16.241
  145   1HB   PRO  24          2HB       PRO  24  13.890   0.573 -16.900
  146   2HB   PRO  24          3HB       PRO  24  12.878   1.926 -17.362
  147   1HG   PRO  24          2HG       PRO  24  14.949   1.795 -15.257
  148   2HG   PRO  24          3HG       PRO  24  14.241   3.208 -16.014
  149   1HD   PRO  24          2HD       PRO  24  13.641   2.177 -13.405
  150   2HD   PRO  24          3HD       PRO  24  12.852   3.520 -14.209
  151    H    GLN  25           HN       GLN  25  11.803  -0.242 -13.342
  152    HA   GLN  25           HA       GLN  25  13.383  -2.442 -13.509
  153   1HB   GLN  25          2HB       GLN  25  10.856  -1.929 -11.891
  154   2HB   GLN  25          3HB       GLN  25  11.845  -3.356 -11.651
  155   1HG   GLN  25          2HG       GLN  25  13.369  -0.794 -11.702
  156   2HG   GLN  25          3HG       GLN  25  12.241  -0.940 -10.369
  157   1HE2  GLN  25          1HE2      GLN  25  14.206  -0.910  -9.094
  158   2HE2  GLN  25          2HE2      GLN  25  15.069  -2.380  -8.790
  159    H    ASP  26           HN       ASP  26  10.378  -1.830 -15.123
  160    HA   ASP  26           HA       ASP  26   9.189  -4.247 -15.241
  161   1HB   ASP  26          2HB       ASP  26   8.153  -2.376 -16.322
  162   2HB   ASP  26          3HB       ASP  26   9.563  -2.057 -17.312
  163    HD2  ASP  26           HD2      ASP  26   6.540  -3.461 -17.478
  164    H    TRP  27           HN       TRP  27  11.972  -2.952 -17.164
  165    HA   TRP  27           HA       TRP  27  12.295  -4.847 -19.061
  166   1HB   TRP  27          2HB       TRP  27  14.306  -3.311 -17.432
  167   2HB   TRP  27          3HB       TRP  27  14.807  -4.420 -18.694
  168    HD1  TRP  27           HD1      TRP  27  12.515  -1.267 -18.388
  169    HE1  TRP  27           HE1      TRP  27  12.580   0.142 -20.619
  170    HE3  TRP  27           HE3      TRP  27  15.468  -4.506 -20.966
  171    HZ2  TRP  27           HZ2      TRP  27  13.832  -0.248 -23.154
  172    HZ3  TRP  27           HZ3      TRP  27  16.065  -3.917 -23.313
  173    HH2  TRP  27           HH2      TRP  27  15.297  -1.872 -24.409
  174    H    LEU  28           HN       LEU  28  12.987  -5.040 -15.545
  175    HA   LEU  28           HA       LEU  28  14.245  -7.600 -15.772
  176   1HB   LEU  28          2HB       LEU  28  13.209  -6.149 -13.334
  177   2HB   LEU  28          3HB       LEU  28  14.285  -7.531 -13.346
  178    HG   LEU  28           HG       LEU  28  15.685  -5.764 -14.902
  179   1HD1  LEU  28          1HD1      LEU  28  15.664  -3.602 -13.645
  180   2HD1  LEU  28          2HD1      LEU  28  14.191  -3.920 -14.594
  181   3HD1  LEU  28          3HD1      LEU  28  14.180  -4.150 -12.829
  182   1HD2  LEU  28          1HD2      LEU  28  16.498  -5.269 -12.242
  183   2HD2  LEU  28          2HD2      LEU  28  15.867  -6.932 -12.284
  184   3HD2  LEU  28          3HD2      LEU  28  17.166  -6.444 -13.400
  185    H    CYS  29           HN       CYS  29  13.379  -9.587 -14.738
  186    HA   CYS  29           HA       CYS  29  11.842 -11.167 -14.792
  187   1HB   CYS  29          2HB       CYS  29  10.939  -9.107 -12.972
  188   2HB   CYS  29          3HB       CYS  29   9.572  -9.973 -13.645
  189    H    ASP  30           HN       ASP  30  11.795 -10.913 -17.226
  190    HA   ASP  30           HA       ASP  30   9.111 -10.132 -18.012
  191   1HB   ASP  30          2HB       ASP  30  10.306  -9.424 -20.261
  192   2HB   ASP  30          3HB       ASP  30  10.242  -8.299 -18.918
  193    H    GLY  31           HN       GLY  31  12.249 -11.494 -19.298
  194   1HA   GLY  31          1HA       GLY  31  11.309 -14.112 -19.642
  195   2HA   GLY  31          2HA       GLY  31  11.073 -13.249 -21.149
  196    H    HIS  32           HN       HIS  32  13.347 -11.413 -20.894
  197    HA   HIS  32           HA       HIS  32  15.536 -13.354 -21.070
  198   1HB   HIS  32          2HB       HIS  32  14.527 -11.418 -23.034
  199   2HB   HIS  32          3HB       HIS  32  16.250 -11.273 -22.748
  200    HD1  HIS  32           HD1      HIS  32  13.712 -13.405 -24.412
  201    HD2  HIS  32           HD2      HIS  32  17.763 -13.678 -23.359
  202    HE1  HIS  32           HE1      HIS  32  14.665 -15.366 -25.738
  203    HA   PRO  33           HA       PRO  33  17.325 -10.703 -18.129
  204   1HB   PRO  33          2HB       PRO  33  19.773 -11.902 -17.936
  205   2HB   PRO  33          3HB       PRO  33  18.359 -12.467 -17.069
  206   1HG   PRO  33          2HG       PRO  33  19.658 -13.631 -19.456
  207   2HG   PRO  33          3HG       PRO  33  18.536 -14.384 -18.340
  208   1HD   PRO  33          2HD       PRO  33  17.945 -13.412 -20.973
  209   2HD   PRO  33          3HD       PRO  33  16.801 -14.058 -19.813
  210    H    ASP  34           HN       ASP  34  18.648  -8.893 -17.885
  211    HA   ASP  34           HA       ASP  34  20.525  -8.454 -19.986
  212   1HB   ASP  34          2HB       ASP  34  18.560  -6.210 -19.669
  213   2HB   ASP  34          3HB       ASP  34  19.490  -6.677 -21.080
  214    H    CYS  35           HN       CYS  35  20.924  -8.796 -17.230
  215    HA   CYS  35           HA       CYS  35  21.366  -6.048 -16.311
  216   1HB   CYS  35          2HB       CYS  35  20.199  -8.378 -14.954
  217   2HB   CYS  35          3HB       CYS  35  21.466  -7.588 -14.036
  218    H    ASP  36           HN       ASP  36  23.132  -6.641 -14.193
  219    HA   ASP  36           HA       ASP  36  25.522  -6.649 -15.248
  220   1HB   ASP  36          2HB       ASP  36  24.906  -6.555 -12.780
  221   2HB   ASP  36          3HB       ASP  36  24.834  -8.306 -12.776
  222    HD2  ASP  36           HD2      ASP  36  28.208  -8.777 -12.793
  223    H    ASP  37           HN       ASP  37  23.876  -9.691 -14.071
  224    HA   ASP  37           HA       ASP  37  25.619 -11.158 -15.889
  225   1HB   ASP  37          2HB       ASP  37  25.263 -11.511 -13.165
  226   2HB   ASP  37          3HB       ASP  37  24.098 -12.654 -13.805
  227    HD2  ASP  37           HD2      ASP  37  27.518 -11.911 -13.879
  228    H    GLY  38           HN       GLY  38  22.359 -11.305 -14.245
  229   1HA   GLY  38          1HA       GLY  38  20.586 -11.192 -16.163
  230   2HA   GLY  38          2HA       GLY  38  21.269 -12.761 -16.543
  231    H    ARG  39           HN       ARG  39  20.733 -11.204 -13.313
  232    HA   ARG  39           HA       ARG  39  19.207 -13.572 -12.628
  233   1HB   ARG  39          2HB       ARG  39  19.571 -12.514 -10.217
  234   2HB   ARG  39          3HB       ARG  39  20.887 -13.368 -10.999
  235   1HG   ARG  39          2HG       ARG  39  21.914 -11.289 -11.737
  236   2HG   ARG  39          3HG       ARG  39  20.503 -10.355 -11.281
  237   1HD   ARG  39          2HD       ARG  39  20.951 -10.551  -8.961
  238   2HD   ARG  39          3HD       ARG  39  21.929 -11.990  -9.165
  239    HE   ARG  39           HE       ARG  39  23.008  -9.572 -10.464
  240   1HH1  ARG  39          1HH1      ARG  39  25.704  -9.356  -8.286
  241   1HH2  ARG  39          2HH2      ARG  39  23.014 -11.602  -7.561
  242   2HH2  ARG  39          1HH2      ARG  39  24.541 -11.009  -6.999
  243    H    ASP  40           HN       ASP  40  18.830 -10.335 -13.588
  244    HA   ASP  40           HA       ASP  40  17.060  -9.187 -11.965
  245   1HB   ASP  40          2HB       ASP  40  16.062  -8.138 -14.017
  246   2HB   ASP  40          3HB       ASP  40  17.814  -8.120 -14.022
  247    H    GLU  41           HN       GLU  41  16.640 -12.063 -13.993
  248    HA   GLU  41           HA       GLU  41  13.956 -12.322 -12.928
  249   1HB   GLU  41          2HB       GLU  41  13.086 -13.091 -15.110
  250   2HB   GLU  41          3HB       GLU  41  13.675 -11.444 -15.216
  251   1HG   GLU  41          2HG       GLU  41  15.968 -12.691 -15.899
  252   2HG   GLU  41          3HG       GLU  41  14.860 -13.964 -16.370
  253    H    TRP  42           HN       TRP  42  16.407 -13.484 -11.996
  254    HA   TRP  42           HA       TRP  42  17.090 -15.919 -13.046
  255   1HB   TRP  42          2HB       TRP  42  18.342 -14.864 -11.286
  256   2HB   TRP  42          3HB       TRP  42  16.994 -14.991 -10.174
  257    HD1  TRP  42           HD1      TRP  42  16.678 -17.348  -8.924
  258    HE1  TRP  42           HE1      TRP  42  18.072 -19.577  -8.698
  259    HE3  TRP  42           HE3      TRP  42  19.901 -16.336 -12.724
  260    HZ2  TRP  42           HZ2      TRP  42  20.316 -20.643 -10.102
  261    HZ3  TRP  42           HZ3      TRP  42  21.665 -18.024 -13.231
  262    HH2  TRP  42           HH2      TRP  42  21.902 -20.116 -11.991
  263    H    GLY  43           HN       GLY  43  15.264 -15.904  -9.952
  264   1HA   GLY  43          1HA       GLY  43  13.846 -18.280 -10.716
  265   2HA   GLY  43          2HA       GLY  43  13.725 -17.395  -9.209
  266    H    CYS  44           HN       CYS  44  13.143 -16.474 -12.682
  267    HA   CYS  44           HA       CYS  44  10.474 -15.619 -11.824
  268   1HB   CYS  44          2HB       CYS  44  12.399 -13.964 -12.737
  269   2HB   CYS  44          3HB       CYS  44  11.671 -14.428 -14.263
  270    H    GLY  45           HN       GLY  45  12.571 -17.216 -14.256
  271   1HA   GLY  45          1HA       GLY  45  10.862 -17.707 -16.324
  272   2HA   GLY  45          2HA       GLY  45  12.105 -18.813 -15.774
  273    H    THR  46           HN       THR  46   8.955 -18.779 -16.594
  274    HA   THR  46           HA       THR  46   7.847 -20.195 -14.339
  275    HB   THR  46           HB       THR  46   5.849 -20.280 -15.884
  276    HG1  THR  46           HG1      THR  46   7.160 -20.436 -17.854
  277   1HG2  THR  46          1HG2      THR  46   5.456 -17.879 -16.074
  278   2HG2  THR  46          2HG2      THR  46   6.363 -18.139 -14.565
  279   3HG2  THR  46          3HG2      THR  46   7.202 -17.539 -16.015
  280    H    SER  47           HN       SER  47   6.653 -22.340 -14.821
  281    HA   SER  47           HA       SER  47   7.987 -23.966 -16.744
  282   1HB   SER  47          2HB       SER  47   9.483 -23.884 -14.622
  283   2HB   SER  47          3HB       SER  47   8.224 -24.813 -13.834
  284    HG   SER  47           HG       SER  47   8.537 -26.528 -15.292
  Start of MODEL    9
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   2.971   0.608  -1.134
    3   2HA   GLY   1          2HA       GLY   1   2.401  -1.013  -1.477
    4    H    SER   2           HN       SER   2   0.580   2.118  -1.238
    5    HA   SER   2           HA       SER   2  -0.511   1.496  -3.850
    6   1HB   SER   2          2HB       SER   2  -1.390   3.490  -1.715
    7   2HB   SER   2          3HB       SER   2  -2.196   3.287  -3.258
    8    HG   SER   2           HG       SER   2  -3.335   1.965  -1.884
    9    H    SER   3           HN       SER   3   0.842   4.288  -1.948
   10    HA   SER   3           HA       SER   3   1.197   5.755  -4.381
   11   1HB   SER   3          2HB       SER   3   0.897   6.392  -1.624
   12   2HB   SER   3          3HB       SER   3   2.508   6.930  -2.057
   13    HG   SER   3           HG       SER   3  -0.004   7.892  -2.902
   14    H    ARG   4           HN       ARG   4   3.443   5.066  -1.597
   15    HA   ARG   4           HA       ARG   4   5.291   3.718  -3.142
   16   1HB   ARG   4          2HB       ARG   4   5.480   6.666  -3.240
   17   2HB   ARG   4          3HB       ARG   4   6.960   5.935  -2.651
   18   1HG   ARG   4          2HG       ARG   4   7.425   4.900  -4.668
   19   2HG   ARG   4          3HG       ARG   4   5.738   4.596  -5.029
   20   1HD   ARG   4          2HD       ARG   4   5.408   6.715  -5.983
   21   2HD   ARG   4          3HD       ARG   4   6.665   7.467  -5.021
   22    HE   ARG   4           HE       ARG   4   7.804   5.482  -6.792
   23   1HH1  ARG   4          1HH1      ARG   4   8.874   7.716  -9.226
   24   1HH2  ARG   4          2HH2      ARG   4   6.495   8.775  -6.770
   25   2HH2  ARG   4          1HH2      ARG   4   7.405   9.278  -8.155
   26    H    CYS   5           HN       CYS   5   4.623   2.717  -0.925
   27    HA   CYS   5           HA       CYS   5   6.777   2.813   0.789
   28   1HB   CYS   5          2HB       CYS   5   6.155   4.992   1.509
   29   2HB   CYS   5          3HB       CYS   5   4.471   4.540   1.684
   30    HA   PRO   6           HA       PRO   6   3.773  -0.580   1.078
   31   1HB   PRO   6          2HB       PRO   6   5.471  -2.618   0.418
   32   2HB   PRO   6          3HB       PRO   6   4.456  -1.798  -0.753
   33   1HG   PRO   6          2HG       PRO   6   7.368  -1.533  -0.316
   34   2HG   PRO   6          3HG       PRO   6   6.421  -1.069  -1.715
   35   1HD   PRO   6          2HD       PRO   6   7.465   0.677   0.306
   36   2HD   PRO   6          3HD       PRO   6   6.422   1.125  -1.029
   37    HA   PRO   7           HA       PRO   7   4.837  -2.024   4.927
   38   1HB   PRO   7          2HB       PRO   7   3.871  -4.577   5.055
   39   2HB   PRO   7          3HB       PRO   7   2.858  -3.159   5.240
   40   1HG   PRO   7          2HG       PRO   7   3.096  -4.978   2.921
   41   2HG   PRO   7          3HG       PRO   7   1.819  -3.838   3.295
   42   1HD   PRO   7          2HD       PRO   7   3.905  -3.503   1.355
   43   2HD   PRO   7          3HD       PRO   7   2.698  -2.317   1.811
   44    H    GLY   8           HN       GLY   8   6.511  -2.768   6.160
   45   1HA   GLY   8          1HA       GLY   8   7.957  -5.077   5.500
   46   2HA   GLY   8          2HA       GLY   8   8.750  -3.707   4.748
   47    H    GLN   9           HN       GLN   9   7.562  -5.020   7.883
   48    HA   GLN   9           HA       GLN   9   9.634  -3.407   9.146
   49   1HB   GLN   9          2HB       GLN   9   7.256  -2.558   9.567
   50   2HB   GLN   9          3HB       GLN   9   6.946  -4.054  10.425
   51   1HG   GLN   9          2HG       GLN   9   8.726  -3.568  12.046
   52   2HG   GLN   9          3HG       GLN   9   9.240  -2.166  11.129
   53   1HE2  GLN   9          1HE2      GLN   9   8.367  -2.337  13.876
   54   2HE2  GLN   9          2HE2      GLN   9   6.998  -1.294  14.068
   55    H    PHE  10           HN       PHE  10   9.629  -6.199   8.088
   56    HA   PHE  10           HA       PHE  10   9.267  -8.022  10.178
   57   1HB   PHE  10          2HB       PHE  10  10.610  -9.474   8.638
   58   2HB   PHE  10          3HB       PHE  10   9.457  -8.533   7.714
   59    HD1  PHE  10           HD1      PHE  10  11.511  -6.024   8.411
   60    HD2  PHE  10           HD2      PHE  10  11.686  -9.722   6.337
   61    HE1  PHE  10           HE1      PHE  10  13.377  -5.137   6.986
   62    HE2  PHE  10           HE2      PHE  10  13.552  -8.835   4.912
   63    HZ   PHE  10           HZ       PHE  10  14.375  -6.553   5.254
   64    H    ARG  11           HN       ARG  11  11.819  -9.452  10.051
   65    HA   ARG  11           HA       ARG  11  13.346  -7.631  11.732
   66   1HB   ARG  11          2HB       ARG  11  12.360 -10.283  12.211
   67   2HB   ARG  11          3HB       ARG  11  14.101 -10.426  12.074
   68   1HG   ARG  11          2HG       ARG  11  13.104  -8.128  13.720
   69   2HG   ARG  11          3HG       ARG  11  12.824  -9.724  14.387
   70   1HD   ARG  11          2HD       ARG  11  15.499  -9.797  13.435
   71   2HD   ARG  11          3HD       ARG  11  15.334  -8.222  14.187
   72    HE   ARG  11           HE       ARG  11  15.123  -9.259  16.281
   73   1HH1  ARG  11          1HH1      ARG  11  14.942 -12.607  17.188
   74   1HH2  ARG  11          2HH2      ARG  11  14.668 -11.686  13.740
   75   2HH2  ARG  11          1HH2      ARG  11  14.671 -13.022  14.843
   76    H    CYS  12           HN       CYS  12  13.379  -8.202   8.681
   77    HA   CYS  12           HA       CYS  12  14.949  -8.145   7.134
   78   1HB   CYS  12          2HB       CYS  12  16.353  -7.047   8.976
   79   2HB   CYS  12          3HB       CYS  12  17.108  -8.614   9.185
   80    H    SER  13           HN       SER  13  13.495 -10.408   7.406
   81    HA   SER  13           HA       SER  13  15.491 -12.459   6.930
   82   1HB   SER  13          2HB       SER  13  13.929 -14.112   8.107
   83   2HB   SER  13          3HB       SER  13  14.809 -13.012   9.149
   84    HG   SER  13           HG       SER  13  12.090 -13.300   8.827
   85    H    GLU  14           HN       GLU  14  13.255 -10.566   5.597
   86    HA   GLU  14           HA       GLU  14  12.807 -12.136   3.419
   87   1HB   GLU  14          2HB       GLU  14  10.247 -12.492   3.742
   88   2HB   GLU  14          3HB       GLU  14  11.343 -13.627   4.503
   89   1HG   GLU  14          2HG       GLU  14  11.194 -12.275   6.638
   90   2HG   GLU  14          3HG       GLU  14  10.016 -11.235   5.864
   91    HE2  GLU  14           HE2      GLU  14   7.450 -13.553   6.120
   92    HA   PRO  15           HA       PRO  15  11.798  -7.939   2.574
   93   1HB   PRO  15          2HB       PRO  15  12.298  -8.011  -0.112
   94   2HB   PRO  15          3HB       PRO  15  13.539  -7.702   1.086
   95   1HG   PRO  15          2HG       PRO  15  13.039 -10.163  -0.473
   96   2HG   PRO  15          3HG       PRO  15  14.487  -9.686   0.390
   97   1HD   PRO  15          2HD       PRO  15  12.538 -11.611   1.240
   98   2HD   PRO  15          3HD       PRO  15  13.924 -11.049   2.154
   99    HA   PRO  16           HA       PRO  16   7.710  -8.778   1.482
  100   1HB   PRO  16          2HB       PRO  16   6.582  -6.562   2.617
  101   2HB   PRO  16          3HB       PRO  16   6.850  -8.056   3.493
  102   1HG   PRO  16          2HG       PRO  16   8.355  -5.517   3.656
  103   2HG   PRO  16          3HG       PRO  16   8.325  -6.850   4.793
  104   1HD   PRO  16          2HD       PRO  16  10.410  -6.237   2.920
  105   2HD   PRO  16          3HD       PRO  16  10.325  -7.634   3.976
  106    H    GLY  17           HN       GLY  17   8.614  -5.357   1.361
  107   1HA   GLY  17          1HA       GLY  17   7.985  -5.422  -1.514
  108   2HA   GLY  17          2HA       GLY  17   7.189  -4.255  -0.477
  109    H    ALA  18           HN       ALA  18  10.208  -5.192  -2.052
  110    HA   ALA  18           HA       ALA  18  11.908  -3.379  -0.742
  111   1HB   ALA  18          1HB       ALA  18  12.928  -5.141  -1.931
  112   2HB   ALA  18          2HB       ALA  18  11.939  -4.857  -3.384
  113   3HB   ALA  18          3HB       ALA  18  13.234  -3.715  -2.951
  114    H    HIS  19           HN       HIS  19  11.984  -1.191  -0.828
  115    HA   HIS  19           HA       HIS  19  11.765   0.274  -3.145
  116   1HB   HIS  19          2HB       HIS  19   9.190  -0.494  -2.084
  117   2HB   HIS  19          3HB       HIS  19   9.376   1.246  -1.984
  118    HD1  HIS  19           HD1      HIS  19   9.869   2.527  -4.298
  119    HD2  HIS  19           HD2      HIS  19   8.733  -1.498  -4.634
  120    HE1  HIS  19           HE1      HIS  19   9.187   2.177  -6.732
  121    H    GLY  20           HN       GLY  20  13.635   1.121  -2.061
  122   1HA   GLY  20          1HA       GLY  20  13.896   2.038   0.473
  123   2HA   GLY  20          2HA       GLY  20  14.641   2.793  -0.922
  124    H    GLU  21           HN       GLU  21  11.793   3.336  -2.053
  125    HA   GLU  21           HA       GLU  21  11.585   5.922  -1.515
  126   1HB   GLU  21          2HB       GLU  21  10.079   4.109  -2.907
  127   2HB   GLU  21          3HB       GLU  21   8.951   4.519  -1.629
  128   1HG   GLU  21          2HG       GLU  21   8.697   6.016  -3.613
  129   2HG   GLU  21          3HG       GLU  21   9.118   6.912  -2.167
  130    HE2  GLU  21           HE2      GLU  21  11.030   7.883  -2.123
  131    H    CYS  22           HN       CYS  22  10.627   3.254   0.619
  132    HA   CYS  22           HA       CYS  22   9.874   5.268   2.606
  133   1HB   CYS  22          2HB       CYS  22   7.877   4.089   1.724
  134   2HB   CYS  22          3HB       CYS  22   8.563   2.565   2.252
  135    H    TYR  23           HN       TYR  23  10.134   1.657   2.693
  136    HA   TYR  23           HA       TYR  23  12.044   1.909   4.865
  137   1HB   TYR  23          2HB       TYR  23   9.985   0.082   3.812
  138   2HB   TYR  23          3HB       TYR  23  11.482  -0.804   4.025
  139    HD1  TYR  23           HD1      TYR  23  12.206  -1.488   6.180
  140    HD2  TYR  23           HD2      TYR  23   9.000   1.322   5.811
  141    HE1  TYR  23           HE1      TYR  23  11.707  -1.719   8.663
  142    HE2  TYR  23           HE2      TYR  23   8.513   1.082   8.295
  143    HH   TYR  23           HH       TYR  23   8.988   0.037  10.126
  144    HA   PRO  24           HA       PRO  24  15.469   0.806   2.465
  145   1HB   PRO  24          2HB       PRO  24  17.100  -0.359   4.323
  146   2HB   PRO  24          3HB       PRO  24  16.932   1.377   4.149
  147   1HG   PRO  24          2HG       PRO  24  15.813  -0.393   6.236
  148   2HG   PRO  24          3HG       PRO  24  16.021   1.347   6.268
  149   1HD   PRO  24          2HD       PRO  24  13.570  -0.082   5.844
  150   2HD   PRO  24          3HD       PRO  24  13.800   1.653   5.761
  151    H    GLN  25           HN       GLN  25  13.213  -1.006   2.400
  152    HA   GLN  25           HA       GLN  25  14.102  -3.599   2.706
  153   1HB   GLN  25          2HB       GLN  25  11.945  -2.350   0.967
  154   2HB   GLN  25          3HB       GLN  25  12.212  -4.082   0.988
  155   1HG   GLN  25          2HG       GLN  25  11.568  -4.295   3.254
  156   2HG   GLN  25          3HG       GLN  25  11.912  -2.616   3.620
  157   1HE2  GLN  25          1HE2      GLN  25  10.600  -1.004   2.311
  158   2HE2  GLN  25          2HE2      GLN  25   8.902  -1.310   2.151
  159    H    ASP  26           HN       ASP  26  14.888  -1.183   0.324
  160    HA   ASP  26           HA       ASP  26  15.316  -2.703  -1.899
  161   1HB   ASP  26          2HB       ASP  26  15.619  -0.434  -2.296
  162   2HB   ASP  26          3HB       ASP  26  16.432  -0.165  -0.767
  163    HD2  ASP  26           HD2      ASP  26  19.406  -0.916  -1.497
  164    H    TRP  27           HN       TRP  27  17.325  -2.142   1.040
  165    HA   TRP  27           HA       TRP  27  19.746  -3.108   0.265
  166   1HB   TRP  27          2HB       TRP  27  18.240  -3.156   2.852
  167   2HB   TRP  27          3HB       TRP  27  19.764  -4.012   2.731
  168    HD1  TRP  27           HD1      TRP  27  18.364  -0.421   2.674
  169    HE1  TRP  27           HE1      TRP  27  20.277   1.358   3.041
  170    HE3  TRP  27           HE3      TRP  27  22.214  -3.730   2.394
  171    HZ2  TRP  27           HZ2      TRP  27  23.123   1.186   3.170
  172    HZ3  TRP  27           HZ3      TRP  27  24.530  -2.842   2.651
  173    HH2  TRP  27           HH2      TRP  27  25.014  -0.476   3.027
  174    H    LEU  28           HN       LEU  28  16.675  -4.818   0.819
  175    HA   LEU  28           HA       LEU  28  17.894  -7.407   0.847
  176   1HB   LEU  28          2HB       LEU  28  15.025  -6.490   0.624
  177   2HB   LEU  28          3HB       LEU  28  15.519  -8.169   0.714
  178    HG   LEU  28           HG       LEU  28  16.774  -7.136   2.918
  179   1HD1  LEU  28          1HD1      LEU  28  15.464  -4.964   2.337
  180   2HD1  LEU  28          2HD1      LEU  28  14.073  -5.828   3.035
  181   3HD1  LEU  28          3HD1      LEU  28  15.525  -5.535   4.022
  182   1HD2  LEU  28          1HD2      LEU  28  15.360  -8.483   4.142
  183   2HD2  LEU  28          2HD2      LEU  28  13.934  -8.069   3.161
  184   3HD2  LEU  28          3HD2      LEU  28  15.176  -9.164   2.507
  185    H    CYS  29           HN       CYS  29  17.487  -9.080  -0.814
  186    HA   CYS  29           HA       CYS  29  17.917  -9.718  -2.891
  187   1HB   CYS  29          2HB       CYS  29  15.512  -9.699  -2.923
  188   2HB   CYS  29          3HB       CYS  29  15.473  -7.993  -3.321
  189    H    ASP  30           HN       ASP  30  20.012  -8.522  -2.930
  190    HA   ASP  30           HA       ASP  30  19.881  -6.421  -4.930
  191   1HB   ASP  30          2HB       ASP  30  21.953  -5.454  -3.596
  192   2HB   ASP  30          3HB       ASP  30  20.323  -5.050  -3.094
  193    H    GLY  31           HN       GLY  31  22.291  -8.215  -2.848
  194   1HA   GLY  31          1HA       GLY  31  23.272  -9.896  -4.850
  195   2HA   GLY  31          2HA       GLY  31  24.250  -8.442  -4.861
  196    H    HIS  32           HN       HIS  32  23.896  -7.863  -1.958
  197    HA   HIS  32           HA       HIS  32  25.421 -10.120  -0.879
  198   1HB   HIS  32          2HB       HIS  32  26.614  -7.829  -1.493
  199   2HB   HIS  32          3HB       HIS  32  25.954  -7.324   0.050
  200    HD1  HIS  32           HD1      HIS  32  27.707  -7.517   1.805
  201    HD2  HIS  32           HD2      HIS  32  27.900 -10.673  -0.952
  202    HE1  HIS  32           HE1      HIS  32  29.601  -9.037   2.590
  203    HA   PRO  33           HA       PRO  33  22.247  -9.934   2.097
  204   1HB   PRO  33          2HB       PRO  33  23.077 -12.013   3.666
  205   2HB   PRO  33          3HB       PRO  33  22.121 -12.231   2.213
  206   1HG   PRO  33          2HG       PRO  33  25.001 -12.746   2.631
  207   2HG   PRO  33          3HG       PRO  33  23.953 -13.341   1.359
  208   1HD   PRO  33          2HD       PRO  33  25.884 -11.231   1.145
  209   2HD   PRO  33          3HD       PRO  33  24.755 -11.748  -0.092
  210    H    ASP  34           HN       ASP  34  21.819  -8.691   3.827
  211    HA   ASP  34           HA       ASP  34  24.132  -8.283   5.545
  212   1HB   ASP  34          2HB       ASP  34  22.255  -5.987   5.242
  213   2HB   ASP  34          3HB       ASP  34  24.000  -5.982   5.406
  214    H    CYS  35           HN       CYS  35  21.722 -10.053   5.734
  215    HA   CYS  35           HA       CYS  35  20.177  -8.691   7.802
  216   1HB   CYS  35          2HB       CYS  35  19.630 -11.022   5.997
  217   2HB   CYS  35          3HB       CYS  35  18.775 -10.889   7.521
  218    H    ASP  36           HN       ASP  36  19.347 -10.791   9.386
  219    HA   ASP  36           HA       ASP  36  21.220 -11.143  11.190
  220   1HB   ASP  36          2HB       ASP  36  18.828 -11.982  11.264
  221   2HB   ASP  36          3HB       ASP  36  19.319 -13.366  10.308
  222    HD2  ASP  36           HD2      ASP  36  19.339 -14.890  13.277
  223    H    ASP  37           HN       ASP  37  20.520 -13.519   8.507
  224    HA   ASP  37           HA       ASP  37  23.253 -14.477   8.852
  225   1HB   ASP  37          2HB       ASP  37  20.937 -15.949   9.092
  226   2HB   ASP  37          3HB       ASP  37  21.272 -16.169   7.386
  227    HD2  ASP  37           HD2      ASP  37  22.292 -18.849   9.017
  228    H    GLY  38           HN       GLY  38  20.498 -13.921   6.550
  229   1HA   GLY  38          1HA       GLY  38  21.293 -12.467   4.626
  230   2HA   GLY  38          2HA       GLY  38  22.434 -13.763   4.326
  231    H    ARG  39           HN       ARG  39  18.903 -13.058   4.670
  232    HA   ARG  39           HA       ARG  39  18.487 -15.118   2.666
  233   1HB   ARG  39          2HB       ARG  39  16.242 -15.576   3.882
  234   2HB   ARG  39          3HB       ARG  39  17.691 -16.192   4.651
  235   1HG   ARG  39          2HG       ARG  39  17.768 -14.105   6.083
  236   2HG   ARG  39          3HG       ARG  39  16.254 -13.592   5.364
  237   1HD   ARG  39          2HD       ARG  39  16.656 -16.200   6.910
  238   2HD   ARG  39          3HD       ARG  39  15.922 -14.750   7.566
  239    HE   ARG  39           HE       ARG  39  13.984 -15.122   6.236
  240   1HH1  ARG  39          1HH1      ARG  39  13.131 -17.928   4.374
  241   1HH2  ARG  39          2HH2      ARG  39  16.508 -17.491   5.478
  242   2HH2  ARG  39          1HH2      ARG  39  15.439 -18.532   4.598
  243    H    ASP  40           HN       ASP  40  18.516 -11.925   3.206
  244    HA   ASP  40           HA       ASP  40  15.889 -11.190   2.481
  245   1HB   ASP  40          2HB       ASP  40  17.148  -8.932   1.991
  246   2HB   ASP  40          3HB       ASP  40  17.018  -9.497   3.645
  247    H    GLU  41           HN       GLU  41  18.313 -12.758   0.799
  248    HA   GLU  41           HA       GLU  41  17.266 -11.800  -1.712
  249   1HB   GLU  41          2HB       GLU  41  19.677 -11.794  -2.640
  250   2HB   GLU  41          3HB       GLU  41  19.196 -10.426  -1.656
  251   1HG   GLU  41          2HG       GLU  41  20.151 -11.949   0.338
  252   2HG   GLU  41          3HG       GLU  41  21.049 -12.708  -0.961
  253    H    TRP  42           HN       TRP  42  17.311 -14.258   0.203
  254    HA   TRP  42           HA       TRP  42  18.787 -16.320  -0.824
  255   1HB   TRP  42          2HB       TRP  42  16.753 -15.999   1.041
  256   2HB   TRP  42          3HB       TRP  42  16.075 -17.120  -0.122
  257    HD1  TRP  42           HD1      TRP  42  16.371 -19.451   1.049
  258    HE1  TRP  42           HE1      TRP  42  18.317 -20.881   2.112
  259    HE3  TRP  42           HE3      TRP  42  19.908 -15.809   0.772
  260    HZ2  TRP  42           HZ2      TRP  42  21.057 -20.341   2.703
  261    HZ3  TRP  42           HZ3      TRP  42  22.193 -16.342   1.613
  262    HH2  TRP  42           HH2      TRP  42  22.792 -18.517   2.554
  263    H    GLY  43           HN       GLY  43  15.242 -16.068  -1.523
  264   1HA   GLY  43          1HA       GLY  43  15.592 -17.372  -4.057
  265   2HA   GLY  43          2HA       GLY  43  14.102 -16.784  -3.348
  266    H    CYS  44           HN       CYS  44  17.222 -15.134  -4.228
  267    HA   CYS  44           HA       CYS  44  15.697 -13.527  -6.123
  268   1HB   CYS  44          2HB       CYS  44  15.700 -12.106  -4.246
  269   2HB   CYS  44          3HB       CYS  44  17.360 -12.491  -3.838
  270    H    GLY  45           HN       GLY  45  18.903 -14.442  -4.695
  271   1HA   GLY  45          1HA       GLY  45  20.619 -13.584  -6.640
  272   2HA   GLY  45          2HA       GLY  45  20.838 -15.036  -5.684
  273    H    THR  46           HN       THR  46  20.106 -13.731  -8.827
  274    HA   THR  46           HA       THR  46  18.729 -15.742 -10.075
  275    HB   THR  46           HB       THR  46  19.781 -14.828 -12.118
  276    HG1  THR  46           HG1      THR  46  21.538 -13.535 -10.158
  277   1HG2  THR  46          1HG2      THR  46  18.874 -12.734 -11.880
  278   2HG2  THR  46          2HG2      THR  46  18.496 -13.212 -10.207
  279   3HG2  THR  46          3HG2      THR  46  19.998 -12.326 -10.562
  280    H    SER  47           HN       SER  47  19.253 -17.627 -11.250
  281    HA   SER  47           HA       SER  47  21.750 -18.802 -10.307
  282   1HB   SER  47          2HB       SER  47  19.713 -19.935  -9.465
  283   2HB   SER  47          3HB       SER  47  19.135 -20.157 -11.105
  284    HG   SER  47           HG       SER  47  20.127 -22.091 -10.515
  Start of MODEL   10
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   2.429  -1.008  -1.460
    3   2HA   GLY   1          2HA       GLY   1   1.418   0.289  -2.067
    4    H    SER   2           HN       SER   2   4.056  -0.074   0.422
    5    HA   SER   2           HA       SER   2   5.930   1.358  -0.915
    6   1HB   SER   2          2HB       SER   2   3.886   3.122  -0.177
    7   2HB   SER   2          3HB       SER   2   5.074   3.344   1.092
    8    HG   SER   2           HG       SER   2   5.716   4.758  -0.498
    9    H    SER   3           HN       SER   3   4.427   1.483   2.406
   10    HA   SER   3           HA       SER   3   6.285  -0.251   3.498
   11   1HB   SER   3          2HB       SER   3   7.876   1.633   3.129
   12   2HB   SER   3          3HB       SER   3   6.850   2.691   4.078
   13    HG   SER   3           HG       SER   3   7.153   0.961   5.838
   14    H    ARG   4           HN       ARG   4   4.436  -1.111   4.526
   15    HA   ARG   4           HA       ARG   4   3.609   0.360   6.820
   16   1HB   ARG   4          2HB       ARG   4   2.043   0.671   4.530
   17   2HB   ARG   4          3HB       ARG   4   1.233  -0.653   5.344
   18   1HG   ARG   4          2HG       ARG   4   0.452   0.694   7.018
   19   2HG   ARG   4          3HG       ARG   4   1.993   1.505   7.210
   20   1HD   ARG   4          2HD       ARG   4   0.607   2.179   4.668
   21   2HD   ARG   4          3HD       ARG   4  -0.287   2.649   6.100
   22    HE   ARG   4           HE       ARG   4   2.044   3.954   5.102
   23   1HH1  ARG   4          1HH1      ARG   4   2.980   5.614   8.006
   24   1HH2  ARG   4          2HH2      ARG   4   0.722   2.845   8.197
   25   2HH2  ARG   4          1HH2      ARG   4   1.559   4.043   9.126
   26    H    CYS   5           HN       CYS   5   1.752  -1.116   7.987
   27    HA   CYS   5           HA       CYS   5   1.585  -3.803   7.370
   28   1HB   CYS   5          2HB       CYS   5   3.903  -4.086   7.755
   29   2HB   CYS   5          3HB       CYS   5   3.867  -3.121   9.217
   30    HA   PRO   6           HA       PRO   6  -0.974  -1.967  10.676
   31   1HB   PRO   6          2HB       PRO   6  -3.397  -2.131   9.424
   32   2HB   PRO   6          3HB       PRO   6  -2.403  -0.688   9.403
   33   1HG   PRO   6          2HG       PRO   6  -2.855  -2.659   7.247
   34   2HG   PRO   6          3HG       PRO   6  -2.231  -1.026   7.128
   35   1HD   PRO   6          2HD       PRO   6  -0.713  -3.456   6.998
   36   2HD   PRO   6          3HD       PRO   6  -0.079  -1.823   6.996
   37    HA   PRO   7           HA       PRO   7  -2.490  -5.598  12.275
   38   1HB   PRO   7          2HB       PRO   7  -4.752  -4.931  13.656
   39   2HB   PRO   7          3HB       PRO   7  -3.135  -4.659  14.276
   40   1HG   PRO   7          2HG       PRO   7  -5.051  -2.697  13.171
   41   2HG   PRO   7          3HG       PRO   7  -3.638  -2.411  14.167
   42   1HD   PRO   7          2HD       PRO   7  -3.860  -1.984  11.339
   43   2HD   PRO   7          3HD       PRO   7  -2.415  -1.809  12.315
   44    H    GLY   8           HN       GLY   8  -3.701  -7.467  11.952
   45   1HA   GLY   8          1HA       GLY   8  -6.243  -7.428  10.787
   46   2HA   GLY   8          2HA       GLY   8  -5.067  -7.519   9.491
   47    H    GLN   9           HN       GLN   9  -6.184  -9.096  12.527
   48    HA   GLN   9           HA       GLN   9  -5.032 -11.559  11.470
   49   1HB   GLN   9          2HB       GLN   9  -4.763 -12.288  13.879
   50   2HB   GLN   9          3HB       GLN   9  -3.715 -10.967  13.401
   51   1HG   GLN   9          2HG       GLN   9  -6.310  -9.996  14.409
   52   2HG   GLN   9          3HG       GLN   9  -5.481 -10.987  15.593
   53   1HE2  GLN   9          1HE2      GLN   9  -5.798  -7.948  14.282
   54   2HE2  GLN   9          2HE2      GLN   9  -4.358  -7.189  14.875
   55    H    PHE  10           HN       PHE  10  -7.703 -10.388  10.999
   56    HA   PHE  10           HA       PHE  10  -9.595 -11.544  12.713
   57   1HB   PHE  10          2HB       PHE  10 -11.113 -10.967  10.798
   58   2HB   PHE  10          3HB       PHE  10  -9.978  -9.663  11.084
   59    HD1  PHE  10           HD1      PHE  10  -7.824 -11.820   9.733
   60    HD2  PHE  10           HD2      PHE  10 -11.319  -9.718   8.562
   61    HE1  PHE  10           HE1      PHE  10  -7.089 -11.933   7.336
   62    HE2  PHE  10           HE2      PHE  10 -10.584  -9.831   6.165
   63    HZ   PHE  10           HZ       PHE  10  -8.478 -10.938   5.580
   64    H    ARG  11           HN       ARG  11 -11.331 -12.776  10.664
   65    HA   ARG  11           HA       ARG  11  -9.858 -15.275  10.407
   66   1HB   ARG  11          2HB       ARG  11 -12.373 -14.699  11.661
   67   2HB   ARG  11          3HB       ARG  11 -12.746 -15.623  10.220
   68   1HG   ARG  11          2HG       ARG  11 -10.764 -17.190  11.032
   69   2HG   ARG  11          3HG       ARG  11 -11.031 -16.425  12.587
   70   1HD   ARG  11          2HD       ARG  11 -13.457 -17.454  11.124
   71   2HD   ARG  11          3HD       ARG  11 -12.379 -18.644  11.827
   72    HE   ARG  11           HE       ARG  11 -14.178 -16.908  13.273
   73   1HH1  ARG  11          1HH1      ARG  11 -12.878 -17.535  16.433
   74   1HH2  ARG  11          2HH2      ARG  11 -10.984 -18.421  13.528
   75   2HH2  ARG  11          1HH2      ARG  11 -10.987 -18.426  15.260
   76    H    CYS  12           HN       CYS  12 -10.170 -12.854   8.529
   77    HA   CYS  12           HA       CYS  12 -10.258 -12.579   6.347
   78   1HB   CYS  12          2HB       CYS  12  -9.344 -14.844   6.117
   79   2HB   CYS  12          3HB       CYS  12 -10.962 -15.516   6.163
   80    H    SER  13           HN       SER  13 -12.307 -11.575   7.745
   81    HA   SER  13           HA       SER  13 -14.562 -12.137   6.023
   82   1HB   SER  13          2HB       SER  13 -14.441 -12.981   8.746
   83   2HB   SER  13          3HB       SER  13 -15.519 -11.600   8.716
   84    HG   SER  13           HG       SER  13 -16.796 -13.403   8.286
   85    H    GLU  14           HN       GLU  14 -12.330 -10.002   6.899
   86    HA   GLU  14           HA       GLU  14 -13.688  -7.795   6.073
   87   1HB   GLU  14          2HB       GLU  14 -13.746  -6.519   8.343
   88   2HB   GLU  14          3HB       GLU  14 -15.055  -7.627   7.982
   89   1HG   GLU  14          2HG       GLU  14 -13.853  -9.423   9.288
   90   2HG   GLU  14          3HG       GLU  14 -12.610  -8.259   9.702
   91    HE2  GLU  14           HE2      GLU  14 -16.021  -8.301  11.686
   92    HA   PRO  15           HA       PRO  15  -9.345  -7.075   6.136
   93   1HB   PRO  15          2HB       PRO  15  -9.286  -5.245   4.107
   94   2HB   PRO  15          3HB       PRO  15  -9.209  -6.975   3.840
   95   1HG   PRO  15          2HG       PRO  15 -11.480  -5.132   3.408
   96   2HG   PRO  15          3HG       PRO  15 -11.237  -6.744   2.765
   97   1HD   PRO  15          2HD       PRO  15 -12.976  -6.001   4.921
   98   2HD   PRO  15          3HD       PRO  15 -12.645  -7.625   4.354
   99    HA   PRO  16           HA       PRO  16  -9.628  -3.651   8.747
  100   1HB   PRO  16          2HB       PRO  16  -7.388  -4.155  10.229
  101   2HB   PRO  16          3HB       PRO  16  -8.964  -4.815  10.620
  102   1HG   PRO  16          2HG       PRO  16  -6.633  -6.175   9.412
  103   2HG   PRO  16          3HG       PRO  16  -8.035  -6.882  10.191
  104   1HD   PRO  16          2HD       PRO  16  -7.529  -6.736   7.371
  105   2HD   PRO  16          3HD       PRO  16  -8.982  -7.337   8.145
  106    H    GLY  17           HN       GLY  17  -6.394  -4.582   7.650
  107   1HA   GLY  17          1HA       GLY  17  -6.123  -1.835   6.603
  108   2HA   GLY  17          2HA       GLY  17  -4.878  -2.543   7.613
  109    H    ALA  18           HN       ALA  18  -6.930  -3.713   4.837
  110    HA   ALA  18           HA       ALA  18  -5.294  -5.555   3.789
  111   1HB   ALA  18          1HB       ALA  18  -6.412  -3.753   1.738
  112   2HB   ALA  18          2HB       ALA  18  -6.754  -5.470   2.060
  113   3HB   ALA  18          3HB       ALA  18  -7.576  -4.207   3.006
  114    H    HIS  19           HN       HIS  19  -3.197  -5.620   3.172
  115    HA   HIS  19           HA       HIS  19  -2.059  -3.830   1.423
  116   1HB   HIS  19          2HB       HIS  19  -1.910  -2.985   4.254
  117   2HB   HIS  19          3HB       HIS  19  -0.381  -2.974   3.399
  118    HD1  HIS  19           HD1      HIS  19  -1.452  -2.050   0.580
  119    HD2  HIS  19           HD2      HIS  19  -2.443  -0.276   4.250
  120    HE1  HIS  19           HE1      HIS  19  -2.176   0.339   0.048
  121    H    GLY  20           HN       GLY  20  -1.376  -5.832   0.552
  122   1HA   GLY  20          1HA       GLY  20  -0.299  -7.996   1.695
  123   2HA   GLY  20          2HA       GLY  20   0.284  -7.335   0.180
  124    H    GLU  21           HN       GLU  21   1.161  -4.756   1.591
  125    HA   GLU  21           HA       GLU  21   3.762  -5.181   1.795
  126   1HB   GLU  21          2HB       GLU  21   2.105  -3.063   2.309
  127   2HB   GLU  21          3HB       GLU  21   2.699  -3.379   3.927
  128   1HG   GLU  21          2HG       GLU  21   4.142  -1.749   2.699
  129   2HG   GLU  21          3HG       GLU  21   5.029  -3.182   3.178
  130    HE2  GLU  21           HE2      GLU  21   5.291  -4.444  -0.038
  131    H    CYS  22           HN       CYS  22   1.310  -6.165   4.149
  132    HA   CYS  22           HA       CYS  22   3.426  -7.489   5.646
  133   1HB   CYS  22          2HB       CYS  22   2.722  -5.277   6.736
  134   2HB   CYS  22          3HB       CYS  22   1.193  -6.061   7.082
  135    H    TYR  23           HN       TYR  23  -0.176  -6.906   5.599
  136    HA   TYR  23           HA       TYR  23  -0.546  -9.800   5.859
  137   1HB   TYR  23          2HB       TYR  23  -2.062  -7.215   6.413
  138   2HB   TYR  23          3HB       TYR  23  -3.014  -8.657   6.124
  139    HD1  TYR  23           HD1      TYR  23  -1.733 -10.803   7.494
  140    HD2  TYR  23           HD2      TYR  23  -1.979  -6.695   8.667
  141    HE1  TYR  23           HE1      TYR  23  -1.445 -11.473   9.929
  142    HE2  TYR  23           HE2      TYR  23  -1.690  -7.380  11.098
  143    HH   TYR  23           HH       TYR  23  -1.508 -10.804  11.997
  144    HA   PRO  24           HA       PRO  24  -1.936  -9.994   1.759
  145   1HB   PRO  24          2HB       PRO  24  -3.177 -12.429   1.803
  146   2HB   PRO  24          3HB       PRO  24  -1.444 -12.240   1.630
  147   1HG   PRO  24          2HG       PRO  24  -2.988 -13.100   4.000
  148   2HG   PRO  24          3HG       PRO  24  -1.280 -13.308   3.668
  149   1HD   PRO  24          2HD       PRO  24  -2.463 -11.391   5.444
  150   2HD   PRO  24          3HD       PRO  24  -0.767 -11.523   5.024
  151    H    GLN  25           HN       GLN  25  -3.729  -9.050   4.171
  152    HA   GLN  25           HA       GLN  25  -6.293  -9.635   3.625
  153   1HB   GLN  25          2HB       GLN  25  -4.881  -7.237   4.737
  154   2HB   GLN  25          3HB       GLN  25  -6.565  -7.019   4.305
  155   1HG   GLN  25          2HG       GLN  25  -7.283  -8.235   6.091
  156   2HG   GLN  25          3HG       GLN  25  -6.179  -9.550   5.736
  157   1HE2  GLN  25          1HE2      GLN  25  -4.903  -9.991   7.348
  158   2HE2  GLN  25          2HE2      GLN  25  -4.154  -8.875   8.440
  159    H    ASP  26           HN       ASP  26  -4.043  -7.923   1.592
  160    HA   ASP  26           HA       ASP  26  -5.537  -6.164   0.240
  161   1HB   ASP  26          2HB       ASP  26  -3.291  -6.334  -0.441
  162   2HB   ASP  26          3HB       ASP  26  -3.353  -8.081  -0.569
  163    HD2  ASP  26           HD2      ASP  26  -2.816  -5.756  -2.789
  164    H    TRP  27           HN       TRP  27  -5.344  -9.757  -0.205
  165    HA   TRP  27           HA       TRP  27  -6.772 -10.130  -2.467
  166   1HB   TRP  27          2HB       TRP  27  -6.474 -11.671   0.067
  167   2HB   TRP  27          3HB       TRP  27  -7.704 -12.191  -1.068
  168    HD1  TRP  27           HD1      TRP  27  -4.105 -12.679  -0.394
  169    HE1  TRP  27           HE1      TRP  27  -2.806 -13.844  -2.373
  170    HE3  TRP  27           HE3      TRP  27  -7.760 -12.036  -3.870
  171    HZ2  TRP  27           HZ2      TRP  27  -3.437 -14.355  -5.108
  172    HZ3  TRP  27           HZ3      TRP  27  -7.338 -12.898  -6.171
  173    HH2  TRP  27           HH2      TRP  27  -5.266 -14.023  -6.813
  174    H    LEU  28           HN       LEU  28  -7.953  -9.273   0.823
  175    HA   LEU  28           HA       LEU  28 -10.699  -9.454   0.039
  176   1HB   LEU  28          2HB       LEU  28  -9.454  -8.207   2.492
  177   2HB   LEU  28          3HB       LEU  28 -11.146  -8.604   2.266
  178    HG   LEU  28           HG       LEU  28 -10.018 -11.042   1.831
  179   1HD1  LEU  28          1HD1      LEU  28  -7.762 -10.398   2.288
  180   2HD1  LEU  28          2HD1      LEU  28  -8.234  -9.606   3.811
  181   3HD1  LEU  28          3HD1      LEU  28  -8.340 -11.376   3.659
  182   1HD2  LEU  28          1HD2      LEU  28 -11.471  -9.706   3.954
  183   2HD2  LEU  28          2HD2      LEU  28 -11.608 -11.374   3.346
  184   3HD2  LEU  28          3HD2      LEU  28 -10.404 -10.977   4.596
  185    H    CYS  29           HN       CYS  29 -12.199  -7.561   0.122
  186    HA   CYS  29           HA       CYS  29 -12.802  -5.706  -0.930
  187   1HB   CYS  29          2HB       CYS  29 -11.100  -5.038   1.312
  188   2HB   CYS  29          3HB       CYS  29 -11.019  -3.787   0.087
  189    H    ASP  30           HN       ASP  30 -11.973  -6.596  -3.040
  190    HA   ASP  30           HA       ASP  30  -9.835  -4.879  -3.996
  191   1HB   ASP  30          2HB       ASP  30  -8.641  -6.628  -4.992
  192   2HB   ASP  30          3HB       ASP  30  -9.184  -7.389  -3.509
  193    H    GLY  31           HN       GLY  31 -12.400  -7.330  -4.820
  194   1HA   GLY  31          1HA       GLY  31 -13.874  -5.615  -6.474
  195   2HA   GLY  31          2HA       GLY  31 -12.786  -6.539  -7.489
  196    H    HIS  32           HN       HIS  32 -12.643  -9.020  -6.172
  197    HA   HIS  32           HA       HIS  32 -15.453  -9.852  -6.169
  198   1HB   HIS  32          2HB       HIS  32 -13.308 -10.636  -7.926
  199   2HB   HIS  32          3HB       HIS  32 -13.828 -12.025  -6.993
  200    HD1  HIS  32           HD1      HIS  32 -14.860 -13.080  -9.171
  201    HD2  HIS  32           HD2      HIS  32 -16.607  -9.459  -7.976
  202    HE1  HIS  32           HE1      HIS  32 -17.031 -12.864 -10.494
  203    HA   PRO  33           HA       PRO  33 -14.399 -11.509  -2.302
  204   1HB   PRO  33          2HB       PRO  33 -16.656 -12.973  -1.818
  205   2HB   PRO  33          3HB       PRO  33 -16.553 -11.247  -1.532
  206   1HG   PRO  33          2HG       PRO  33 -17.916 -12.684  -3.727
  207   2HG   PRO  33          3HG       PRO  33 -18.148 -11.034  -3.185
  208   1HD   PRO  33          2HD       PRO  33 -16.711 -11.889  -5.515
  209   2HD   PRO  33          3HD       PRO  33 -16.846 -10.250  -4.910
  210    H    ASP  34           HN       ASP  34 -13.545 -13.309  -1.226
  211    HA   ASP  34           HA       ASP  34 -13.868 -15.820  -2.477
  212   1HB   ASP  34          2HB       ASP  34 -11.336 -16.094  -2.864
  213   2HB   ASP  34          3HB       ASP  34 -12.207 -15.133  -4.041
  214    H    CYS  35           HN       CYS  35 -14.535 -15.219   0.064
  215    HA   CYS  35           HA       CYS  35 -12.255 -16.137   1.660
  216   1HB   CYS  35          2HB       CYS  35 -13.989 -13.827   2.021
  217   2HB   CYS  35          3HB       CYS  35 -14.019 -14.885   3.418
  218    H    ASP  36           HN       ASP  36 -13.757 -16.664   4.034
  219    HA   ASP  36           HA       ASP  36 -14.522 -19.143   3.834
  220   1HB   ASP  36          2HB       ASP  36 -14.812 -17.187   5.746
  221   2HB   ASP  36          3HB       ASP  36 -16.495 -17.503   5.373
  222    HD2  ASP  36           HD2      ASP  36 -17.309 -19.532   6.487
  223    H    ASP  37           HN       ASP  37 -16.798 -16.325   3.399
  224    HA   ASP  37           HA       ASP  37 -18.525 -18.144   1.912
  225   1HB   ASP  37          2HB       ASP  37 -19.167 -16.677   4.163
  226   2HB   ASP  37          3HB       ASP  37 -19.638 -15.556   2.901
  227    HD2  ASP  37           HD2      ASP  37 -20.953 -19.056   3.749
  228    H    GLY  38           HN       GLY  38 -17.875 -14.574   2.353
  229   1HA   GLY  38          1HA       GLY  38 -16.727 -13.844   0.070
  230   2HA   GLY  38          2HA       GLY  38 -18.372 -14.102  -0.478
  231    H    ARG  39           HN       ARG  39 -17.189 -12.860   2.715
  232    HA   ARG  39           HA       ARG  39 -18.749 -10.473   2.144
  233   1HB   ARG  39          2HB       ARG  39 -18.605 -10.252   4.764
  234   2HB   ARG  39          3HB       ARG  39 -19.712 -11.426   4.082
  235   1HG   ARG  39          2HG       ARG  39 -18.060 -13.237   4.412
  236   2HG   ARG  39          3HG       ARG  39 -16.867 -12.085   4.979
  237   1HD   ARG  39          2HD       ARG  39 -19.569 -12.433   6.353
  238   2HD   ARG  39          3HD       ARG  39 -18.166 -13.384   6.796
  239    HE   ARG  39           HE       ARG  39 -17.497 -10.571   6.757
  240   1HH1  ARG  39          1HH1      ARG  39 -17.764 -10.068  10.183
  241   1HH2  ARG  39          2HH2      ARG  39 -19.177 -13.006   8.707
  242   2HH2  ARG  39          1HH2      ARG  39 -18.939 -12.157  10.197
  243    H    ASP  40           HN       ASP  40 -15.617 -11.644   2.173
  244    HA   ASP  40           HA       ASP  40 -14.107 -10.047   3.690
  245   1HB   ASP  40          2HB       ASP  40 -12.363 -10.233   1.893
  246   2HB   ASP  40          3HB       ASP  40 -13.144 -11.761   2.249
  247    H    GLU  41           HN       GLU  41 -16.065  -9.211   0.860
  248    HA   GLU  41           HA       GLU  41 -15.293  -6.447   1.235
  249   1HB   GLU  41          2HB       GLU  41 -15.151  -6.084  -1.225
  250   2HB   GLU  41          3HB       GLU  41 -13.913  -7.182  -0.649
  251   1HG   GLU  41          2HG       GLU  41 -15.772  -9.038  -1.222
  252   2HG   GLU  41          3HG       GLU  41 -16.372  -7.786  -2.291
  253    H    TRP  42           HN       TRP  42 -17.579  -7.696   2.265
  254    HA   TRP  42           HA       TRP  42 -19.793  -7.771   0.615
  255   1HB   TRP  42          2HB       TRP  42 -19.312  -8.292   3.218
  256   2HB   TRP  42          3HB       TRP  42 -20.163  -6.769   3.378
  257    HD1  TRP  42           HD1      TRP  42 -22.622  -7.404   3.997
  258    HE1  TRP  42           HE1      TRP  42 -24.513  -9.039   3.152
  259    HE3  TRP  42           HE3      TRP  42 -19.762  -9.755   0.512
  260    HZ2  TRP  42           HZ2      TRP  42 -24.599 -11.085   1.164
  261    HZ3  TRP  42           HZ3      TRP  42 -20.826 -11.559  -0.839
  262    HH2  TRP  42           HH2      TRP  42 -23.158 -12.234  -0.557
  263    H    GLY  43           HN       GLY  43 -19.219  -5.132   3.039
  264   1HA   GLY  43          1HA       GLY  43 -20.689  -3.262   1.418
  265   2HA   GLY  43          2HA       GLY  43 -19.940  -2.978   2.976
  266    H    CYS  44           HN       CYS  44 -18.510  -4.195  -0.130
  267    HA   CYS  44           HA       CYS  44 -16.675  -1.915   0.021
  268   1HB   CYS  44          2HB       CYS  44 -15.996  -4.542   0.138
  269   2HB   CYS  44          3HB       CYS  44 -15.903  -4.272  -1.591
  270    H    GLY  45           HN       GLY  45 -18.990  -3.843  -1.854
  271   1HA   GLY  45          1HA       GLY  45 -18.490  -3.166  -4.449
  272   2HA   GLY  45          2HA       GLY  45 -20.090  -3.374  -3.764
  273    H    THR  46           HN       THR  46 -17.952  -1.178  -5.264
  274    HA   THR  46           HA       THR  46 -19.818   1.003  -4.731
  275    HB   THR  46           HB       THR  46 -18.037   1.336  -3.069
  276    HG1  THR  46           HG1      THR  46 -18.674   3.256  -4.185
  277   1HG2  THR  46          1HG2      THR  46 -15.738   1.256  -3.538
  278   2HG2  THR  46          2HG2      THR  46 -16.315  -0.017  -4.640
  279   3HG2  THR  46          3HG2      THR  46 -15.978   1.615  -5.265
  280    H    SER  47           HN       SER  47 -16.831  -0.004  -6.522
  281    HA   SER  47           HA       SER  47 -17.732   1.622  -8.719
  282   1HB   SER  47          2HB       SER  47 -15.388   1.793  -8.296
  283   2HB   SER  47          3HB       SER  47 -15.200   0.060  -8.123
  284    HG   SER  47           HG       SER  47 -15.070  -0.193 -10.270
  Start of MODEL   11
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   1.388  -0.111  -2.086
    3   2HA   GLY   1          2HA       GLY   1   2.578   0.958  -1.371
    4    H    SER   2           HN       SER   2   2.998  -1.250  -3.319
    5    HA   SER   2           HA       SER   2   4.461  -2.801  -3.721
    6   1HB   SER   2          2HB       SER   2   5.796  -1.208  -1.976
    7   2HB   SER   2          3HB       SER   2   5.797  -2.688  -1.037
    8    HG   SER   2           HG       SER   2   7.558  -3.065  -2.240
    9    H    SER   3           HN       SER   3   5.473  -5.012  -2.654
   10    HA   SER   3           HA       SER   3   3.156  -6.381  -1.737
   11   1HB   SER   3          2HB       SER   3   5.918  -7.123  -2.649
   12   2HB   SER   3          3HB       SER   3   5.086  -8.280  -1.630
   13    HG   SER   3           HG       SER   3   3.827  -8.820  -3.272
   14    H    ARG   4           HN       ARG   4   6.544  -5.893  -0.489
   15    HA   ARG   4           HA       ARG   4   5.768  -5.276   2.049
   16   1HB   ARG   4          2HB       ARG   4   6.581  -7.519   3.167
   17   2HB   ARG   4          3HB       ARG   4   4.937  -7.426   2.569
   18   1HG   ARG   4          2HG       ARG   4   5.748  -8.446   0.379
   19   2HG   ARG   4          3HG       ARG   4   7.321  -8.666   1.118
   20   1HD   ARG   4          2HD       ARG   4   6.595 -10.388   2.500
   21   2HD   ARG   4          3HD       ARG   4   4.988  -9.714   2.684
   22    HE   ARG   4           HE       ARG   4   5.583 -10.673  -0.033
   23   1HH1  ARG   4          1HH1      ARG   4   3.413 -13.375   0.201
   24   1HH2  ARG   4          2HH2      ARG   4   4.269 -11.527   3.145
   25   2HH2  ARG   4          1HH2      ARG   4   3.343 -12.861   2.541
   26    H    CYS   5           HN       CYS   5   7.680  -4.376   0.199
   27    HA   CYS   5           HA       CYS   5   9.965  -4.252   1.748
   28   1HB   CYS   5          2HB       CYS   5  10.304  -6.598   1.120
   29   2HB   CYS   5          3HB       CYS   5  10.245  -6.167  -0.577
   30    HA   PRO   6           HA       PRO   6   9.310  -1.295  -1.645
   31   1HB   PRO   6          2HB       PRO   6   9.096   0.966  -0.125
   32   2HB   PRO   6          3HB       PRO   6   7.710   0.036  -0.658
   33   1HG   PRO   6          2HG       PRO   6   8.933   0.163   2.030
   34   2HG   PRO   6          3HG       PRO   6   7.338  -0.402   1.576
   35   1HD   PRO   6          2HD       PRO   6   9.606  -2.023   2.253
   36   2HD   PRO   6          3HD       PRO   6   8.046  -2.587   1.687
   37    HA   PRO   7           HA       PRO   7  13.269   0.220  -1.883
   38   1HB   PRO   7          2HB       PRO   7  13.072   2.620  -3.175
   39   2HB   PRO   7          3HB       PRO   7  13.001   1.078  -4.003
   40   1HG   PRO   7          2HG       PRO   7  10.799   2.948  -3.378
   41   2HG   PRO   7          3HG       PRO   7  10.832   1.643  -4.547
   42   1HD   PRO   7          2HD       PRO   7   9.548   1.618  -1.982
   43   2HD   PRO   7          3HD       PRO   7   9.680   0.276  -3.101
   44    H    GLY   8           HN       GLY   8  14.361   0.520  -0.042
   45   1HA   GLY   8          1HA       GLY   8  14.763   3.136   0.888
   46   2HA   GLY   8          2HA       GLY   8  13.536   2.384   1.888
   47    H    GLN   9           HN       GLN   9  16.892   2.006   0.629
   48    HA   GLN   9           HA       GLN   9  17.452   0.512   3.065
   49   1HB   GLN   9          2HB       GLN   9  19.082  -0.880   1.756
   50   2HB   GLN   9          3HB       GLN   9  17.415  -1.134   1.279
   51   1HG   GLN   9          2HG       GLN   9  18.491   1.054  -0.287
   52   2HG   GLN   9          3HG       GLN   9  19.616  -0.288  -0.364
   53   1HE2  GLN   9          1HE2      GLN   9  19.003  -2.250  -1.239
   54   2HE2  GLN   9          2HE2      GLN   9  17.596  -2.453  -2.229
   55    H    PHE  10           HN       PHE  10  19.575   0.868   3.978
   56    HA   PHE  10           HA       PHE  10  21.436   2.553   2.659
   57   1HB   PHE  10          2HB       PHE  10  21.161   4.477   4.220
   58   2HB   PHE  10          3HB       PHE  10  19.642   4.187   3.397
   59    HD1  PHE  10           HD1      PHE  10  19.450   5.756   5.720
   60    HD2  PHE  10           HD2      PHE  10  19.681   1.526   5.471
   61    HE1  PHE  10           HE1      PHE  10  18.286   5.562   7.935
   62    HE2  PHE  10           HE2      PHE  10  18.517   1.332   7.686
   63    HZ   PHE  10           HZ       PHE  10  17.833   3.353   8.892
   64    H    ARG  11           HN       ARG  11  22.583   3.648   5.129
   65    HA   ARG  11           HA       ARG  11  23.373   1.118   6.334
   66   1HB   ARG  11          2HB       ARG  11  24.945   3.179   5.089
   67   2HB   ARG  11          3HB       ARG  11  25.312   3.237   6.802
   68   1HG   ARG  11          2HG       ARG  11  25.242   0.557   5.388
   69   2HG   ARG  11          3HG       ARG  11  26.649   1.586   5.208
   70   1HD   ARG  11          2HD       ARG  11  26.837   1.707   7.729
   71   2HD   ARG  11          3HD       ARG  11  25.488   0.596   7.858
   72    HE   ARG  11           HE       ARG  11  27.618  -0.421   6.133
   73   1HH1  ARG  11          1HH1      ARG  11  28.778  -2.733   8.450
   74   1HH2  ARG  11          2HH2      ARG  11  26.525  -0.156   9.493
   75   2HH2  ARG  11          1HH2      ARG  11  27.436  -1.528  10.028
   76    H    CYS  12           HN       CYS  12  21.302   3.483   6.922
   77    HA   CYS  12           HA       CYS  12  20.319   3.958   8.887
   78   1HB   CYS  12          2HB       CYS  12  21.941   2.180   9.914
   79   2HB   CYS  12          3HB       CYS  12  22.838   3.579  10.471
   80    H    SER  13           HN       SER  13  21.018   5.843   7.143
   81    HA   SER  13           HA       SER  13  22.118   7.910   8.847
   82   1HB   SER  13          2HB       SER  13  23.318   8.812   6.727
   83   2HB   SER  13          3HB       SER  13  24.058   7.472   7.580
   84    HG   SER  13           HG       SER  13  23.256   7.573   4.994
   85    H    GLU  14           HN       GLU  14  19.524   6.773   7.279
   86    HA   GLU  14           HA       GLU  14  18.154   9.109   7.227
   87   1HB   GLU  14          2HB       GLU  14  17.909   9.391   4.656
   88   2HB   GLU  14          3HB       GLU  14  19.342  10.050   5.419
   89   1HG   GLU  14          2HG       GLU  14  20.529   7.841   4.860
   90   2HG   GLU  14          3HG       GLU  14  19.124   7.410   3.905
   91    HE2  GLU  14           HE2      GLU  14  22.083   8.904   3.516
   92    HA   PRO  15           HA       PRO  15  15.405   5.711   6.808
   93   1HB   PRO  15          2HB       PRO  15  13.186   6.937   7.829
   94   2HB   PRO  15          3HB       PRO  15  14.392   6.151   8.828
   95   1HG   PRO  15          2HG       PRO  15  13.937   9.041   8.401
   96   2HG   PRO  15          3HG       PRO  15  14.825   8.247   9.687
   97   1HD   PRO  15          2HD       PRO  15  15.937   9.604   7.417
   98   2HD   PRO  15          3HD       PRO  15  16.819   8.712   8.641
   99    HA   PRO  16           HA       PRO  16  13.862   6.898   2.961
  100   1HB   PRO  16          2HB       PRO  16  13.637   4.396   1.884
  101   2HB   PRO  16          3HB       PRO  16  15.108   5.346   1.802
  102   1HG   PRO  16          2HG       PRO  16  14.500   3.017   3.518
  103   2HG   PRO  16          3HG       PRO  16  16.060   3.704   3.111
  104   1HD   PRO  16          2HD       PRO  16  14.641   4.013   5.585
  105   2HD   PRO  16          3HD       PRO  16  16.144   4.793   5.134
  106    H    GLY  17           HN       GLY  17  12.484   3.868   4.165
  107   1HA   GLY  17          1HA       GLY  17   9.895   5.197   4.394
  108   2HA   GLY  17          2HA       GLY  17  10.021   3.917   3.203
  109    H    ALA  18           HN       ALA  18   9.559   4.677   6.540
  110    HA   ALA  18           HA       ALA  18  10.537   2.446   7.829
  111   1HB   ALA  18          1HB       ALA  18   9.768   4.128   9.233
  112   2HB   ALA  18          2HB       ALA  18   8.289   4.396   8.280
  113   3HB   ALA  18          3HB       ALA  18   8.420   2.970   9.337
  114    H    HIS  19           HN       HIS  19  10.070   0.305   7.732
  115    HA   HIS  19           HA       HIS  19   7.538  -0.738   7.578
  116   1HB   HIS  19          2HB       HIS  19   8.282   0.282   5.072
  117   2HB   HIS  19          3HB       HIS  19   8.527  -1.448   4.938
  118    HD1  HIS  19           HD1      HIS  19   6.502  -2.709   4.217
  119    HD2  HIS  19           HD2      HIS  19   5.508   0.827   6.243
  120    HE1  HIS  19           HE1      HIS  19   3.956  -2.547   4.167
  121    H    GLY  20           HN       GLY  20   8.634  -1.947   9.238
  122   1HA   GLY  20          1HA       GLY  20  11.005  -3.329   8.981
  123   2HA   GLY  20          2HA       GLY  20   9.665  -3.788  10.013
  124    H    GLU  21           HN       GLU  21   7.981  -3.854   7.313
  125    HA   GLU  21           HA       GLU  21   7.729  -6.479   7.049
  126   1HB   GLU  21          2HB       GLU  21   6.772  -4.272   5.704
  127   2HB   GLU  21          3HB       GLU  21   7.680  -5.064   4.432
  128   1HG   GLU  21          2HG       GLU  21   5.593  -6.114   4.226
  129   2HG   GLU  21          3HG       GLU  21   6.451  -7.255   5.242
  130    HE2  GLU  21           HE2      GLU  21   3.795  -7.000   7.422
  131    H    CYS  22           HN       CYS  22  10.302  -4.449   5.603
  132    HA   CYS  22           HA       CYS  22  11.603  -6.937   4.769
  133   1HB   CYS  22          2HB       CYS  22  10.716  -5.701   2.816
  134   2HB   CYS  22          3HB       CYS  22  11.676  -4.307   3.273
  135    H    TYR  23           HN       TYR  23  12.486  -3.412   4.794
  136    HA   TYR  23           HA       TYR  23  14.908  -4.079   6.239
  137   1HB   TYR  23          2HB       TYR  23  13.782  -2.038   4.424
  138   2HB   TYR  23          3HB       TYR  23  14.496  -1.253   5.819
  139    HD1  TYR  23           HD1      TYR  23  16.744  -0.682   5.716
  140    HD2  TYR  23           HD2      TYR  23  15.333  -3.944   3.335
  141    HE1  TYR  23           HE1      TYR  23  19.046  -0.919   4.663
  142    HE2  TYR  23           HE2      TYR  23  17.640  -4.170   2.291
  143    HH   TYR  23           HH       TYR  23  19.940  -3.636   2.879
  144    HA   PRO  24           HA       PRO  24  13.473  -2.659  10.066
  145   1HB   PRO  24          2HB       PRO  24  15.818  -1.995  11.302
  146   2HB   PRO  24          3HB       PRO  24  15.235  -3.643  11.174
  147   1HG   PRO  24          2HG       PRO  24  17.411  -2.325   9.668
  148   2HG   PRO  24          3HG       PRO  24  17.095  -4.037   9.869
  149   1HD   PRO  24          2HD       PRO  24  16.541  -2.450   7.545
  150   2HD   PRO  24          3HD       PRO  24  16.120  -4.133   7.789
  151    H    GLN  25           HN       GLN  25  13.217  -0.803   7.941
  152    HA   GLN  25           HA       GLN  25  14.318   1.630   8.625
  153   1HB   GLN  25          2HB       GLN  25  11.713   0.996   7.169
  154   2HB   GLN  25          3HB       GLN  25  12.455   2.583   7.208
  155   1HG   GLN  25          2HG       GLN  25  13.916   2.019   5.564
  156   2HG   GLN  25          3HG       GLN  25  14.455   0.608   6.452
  157   1HE2  GLN  25          1HE2      GLN  25  13.297   1.519   3.616
  158   2HE2  GLN  25          2HE2      GLN  25  12.371   0.141   3.122
  159    H    ASP  26           HN       ASP  26  11.711  -0.210  10.067
  160    HA   ASP  26           HA       ASP  26  10.228   1.875  11.115
  161   1HB   ASP  26          2HB       ASP  26   9.326  -0.357  11.159
  162   2HB   ASP  26          3HB       ASP  26  10.732  -0.994  11.989
  163    HD2  ASP  26           HD2      ASP  26   9.354  -0.709  14.998
  164    H    TRP  27           HN       TRP  27  13.363   0.477  11.925
  165    HA   TRP  27           HA       TRP  27  13.499   1.098  14.642
  166   1HB   TRP  27          2HB       TRP  27  15.581   0.751  12.493
  167   2HB   TRP  27          3HB       TRP  27  16.010   1.131  14.149
  168    HD1  TRP  27           HD1      TRP  27  13.705  -1.587  12.505
  169    HE1  TRP  27           HE1      TRP  27  14.090  -3.930  13.657
  170    HE3  TRP  27           HE3      TRP  27  17.170   0.040  15.852
  171    HZ2  TRP  27           HZ2      TRP  27  15.764  -4.820  15.791
  172    HZ3  TRP  27           HZ3      TRP  27  18.130  -1.630  17.434
  173    HH2  TRP  27           HH2      TRP  27  17.480  -3.986  17.440
  174    H    LEU  28           HN       LEU  28  13.849   3.005  11.647
  175    HA   LEU  28           HA       LEU  28  15.032   5.249  12.935
  176   1HB   LEU  28          2HB       LEU  28  13.635   4.994  10.268
  177   2HB   LEU  28          3HB       LEU  28  14.567   6.378  10.801
  178    HG   LEU  28           HG       LEU  28  16.330   4.242  11.117
  179   1HD1  LEU  28          1HD1      LEU  28  15.678   2.570   9.807
  180   2HD1  LEU  28          2HD1      LEU  28  14.334   3.528   9.140
  181   3HD1  LEU  28          3HD1      LEU  28  15.954   3.643   8.413
  182   1HD2  LEU  28          1HD2      LEU  28  17.675   5.511   9.828
  183   2HD2  LEU  28          2HD2      LEU  28  16.454   5.709   8.548
  184   3HD2  LEU  28          3HD2      LEU  28  16.373   6.710  10.018
  185    H    CYS  29           HN       CYS  29  14.001   7.364  13.250
  186    HA   CYS  29           HA       CYS  29  12.479   8.482  14.418
  187   1HB   CYS  29          2HB       CYS  29  11.410   7.829  11.787
  188   2HB   CYS  29          3HB       CYS  29  10.139   8.172  12.944
  189    H    ASP  30           HN       ASP  30  12.495   7.001  16.291
  190    HA   ASP  30           HA       ASP  30   9.942   5.634  16.501
  191   1HB   ASP  30          2HB       ASP  30  11.270   3.914  17.965
  192   2HB   ASP  30          3HB       ASP  30  11.328   3.755  16.220
  193    H    GLY  31           HN       GLY  31  13.009   6.502  18.285
  194   1HA   GLY  31          1HA       GLY  31  11.799   8.321  20.043
  195   2HA   GLY  31          2HA       GLY  31  11.835   6.753  20.824
  196    H    HIS  32           HN       HIS  32  14.258   5.698  19.647
  197    HA   HIS  32           HA       HIS  32  16.228   7.617  20.652
  198   1HB   HIS  32          2HB       HIS  32  15.621   4.886  21.573
  199   2HB   HIS  32          3HB       HIS  32  17.319   5.161  21.242
  200    HD1  HIS  32           HD1      HIS  32  16.606   4.670  24.121
  201    HD2  HIS  32           HD2      HIS  32  16.554   8.505  22.422
  202    HE1  HIS  32           HE1      HIS  32  16.838   6.314  26.059
  203    HA   PRO  33           HA       PRO  33  18.063   6.757  16.814
  204   1HB   PRO  33          2HB       PRO  33  20.402   8.131  17.145
  205   2HB   PRO  33          3HB       PRO  33  18.901   8.896  16.662
  206   1HG   PRO  33          2HG       PRO  33  20.252   8.959  19.291
  207   2HG   PRO  33          3HG       PRO  33  19.014  10.031  18.668
  208   1HD   PRO  33          2HD       PRO  33  18.654   7.916  20.572
  209   2HD   PRO  33          3HD       PRO  33  17.399   8.912  19.861
  210    H    ASP  34           HN       ASP  34  19.196   5.158  15.835
  211    HA   ASP  34           HA       ASP  34  21.173   3.937  17.586
  212   1HB   ASP  34          2HB       ASP  34  19.634   2.156  15.729
  213   2HB   ASP  34          3HB       ASP  34  20.300   1.798  17.310
  214    H    CYS  35           HN       CYS  35  21.455   5.876  15.373
  215    HA   CYS  35           HA       CYS  35  22.535   4.165  13.259
  216   1HB   CYS  35          2HB       CYS  35  21.466   6.971  13.273
  217   2HB   CYS  35          3HB       CYS  35  22.608   6.472  12.040
  218    H    ASP  36           HN       ASP  36  24.458   5.761  12.136
  219    HA   ASP  36           HA       ASP  36  26.650   5.399  13.536
  220   1HB   ASP  36          2HB       ASP  36  26.090   6.660  11.203
  221   2HB   ASP  36          3HB       ASP  36  26.461   8.075  12.168
  222    HD2  ASP  36           HD2      ASP  36  27.813   5.721  10.306
  223    H    ASP  37           HN       ASP  37  24.730   8.503  13.530
  224    HA   ASP  37           HA       ASP  37  25.984   9.108  16.091
  225   1HB   ASP  37          2HB       ASP  37  25.983  10.634  13.777
  226   2HB   ASP  37          3HB       ASP  37  24.594  11.293  14.618
  227    HD2  ASP  37           HD2      ASP  37  25.010  12.748  16.058
  228    H    GLY  38           HN       GLY  38  23.001   9.537  14.044
  229   1HA   GLY  38          1HA       GLY  38  21.001   8.554  15.289
  230   2HA   GLY  38          2HA       GLY  38  21.389   9.756  16.504
  231    H    ARG  39           HN       ARG  39  20.847   9.473  12.920
  232    HA   ARG  39           HA       ARG  39  19.521  12.059  13.118
  233   1HB   ARG  39          2HB       ARG  39  20.070  12.208  10.591
  234   2HB   ARG  39          3HB       ARG  39  21.420  12.383  11.695
  235   1HG   ARG  39          2HG       ARG  39  21.956   9.944  11.402
  236   2HG   ARG  39          3HG       ARG  39  20.628   9.800  10.267
  237   1HD   ARG  39          2HD       ARG  39  22.094  10.379   8.627
  238   2HD   ARG  39          3HD       ARG  39  22.083  12.002   9.289
  239    HE   ARG  39           HE       ARG  39  23.901  10.402  10.823
  240   1HH1  ARG  39          1HH1      ARG  39  26.807  11.238   9.115
  241   1HH2  ARG  39          2HH2      ARG  39  23.622  11.861   7.606
  242   2HH2  ARG  39          1HH2      ARG  39  25.335  11.996   7.384
  243    H    ASP  40           HN       ASP  40  19.114   8.722  12.714
  244    HA   ASP  40           HA       ASP  40  17.324   8.561  10.628
  245   1HB   ASP  40          2HB       ASP  40  16.471   6.504  11.964
  246   2HB   ASP  40          3HB       ASP  40  18.153   6.509  11.471
  247    H    GLU  41           HN       GLU  41  17.097  10.121  13.694
  248    HA   GLU  41           HA       GLU  41  14.306  10.596  13.254
  249   1HB   GLU  41          2HB       GLU  41  13.529   9.865  15.409
  250   2HB   GLU  41          3HB       GLU  41  14.422   8.525  14.717
  251   1HG   GLU  41          2HG       GLU  41  16.487   9.602  16.005
  252   2HG   GLU  41          3HG       GLU  41  15.244  10.390  16.957
  253    H    TRP  42           HN       TRP  42  16.720  12.186  13.014
  254    HA   TRP  42           HA       TRP  42  17.414  13.674  15.199
  255   1HB   TRP  42          2HB       TRP  42  18.533  13.787  13.042
  256   2HB   TRP  42          3HB       TRP  42  17.132  14.553  12.321
  257    HD1  TRP  42           HD1      TRP  42  16.473  17.039  13.797
  258    HE1  TRP  42           HE1      TRP  42  18.094  19.021  14.436
  259    HE3  TRP  42           HE3      TRP  42  20.764  14.330  13.476
  260    HZ2  TRP  42           HZ2      TRP  42  20.925  19.229  14.729
  261    HZ3  TRP  42           HZ3      TRP  42  22.914  15.499  13.954
  262    HH2  TRP  42           HH2      TRP  42  23.038  17.863  14.563
  263    H    GLY  43           HN       GLY  43  15.335  15.189  12.672
  264   1HA   GLY  43          1HA       GLY  43  13.973  16.758  14.651
  265   2HA   GLY  43          2HA       GLY  43  13.713  16.753  12.918
  266    H    CYS  44           HN       CYS  44  13.475  14.183  15.486
  267    HA   CYS  44           HA       CYS  44  10.729  13.753  14.553
  268   1HB   CYS  44          2HB       CYS  44  12.749  11.966  14.256
  269   2HB   CYS  44          3HB       CYS  44  12.147  11.493  15.832
  270    H    GLY  45           HN       GLY  45  13.122  13.786  17.243
  271   1HA   GLY  45          1HA       GLY  45  11.617  13.052  19.395
  272   2HA   GLY  45          2HA       GLY  45  12.867  14.280  19.427
  273    H    THR  46           HN       THR  46  12.296  16.552  19.120
  274    HA   THR  46           HA       THR  46  11.028  18.274  19.815
  275    HB   THR  46           HB       THR  46   9.301  18.765  18.176
  276    HG1  THR  46           HG1      THR  46   7.960  16.970  18.135
  277   1HG2  THR  46          1HG2      THR  46  11.791  17.814  17.335
  278   2HG2  THR  46          2HG2      THR  46  10.656  16.787  16.426
  279   3HG2  THR  46          3HG2      THR  46  10.574  18.559  16.271
  280    H    SER  47           HN       SER  47  10.883  17.243  22.004
  281    HA   SER  47           HA       SER  47   8.225  16.218  22.517
  282   1HB   SER  47          2HB       SER  47  10.225  14.999  23.412
  283   2HB   SER  47          3HB       SER  47  10.653  16.412  24.356
  284    HG   SER  47           HG       SER  47   8.032  15.267  24.624
  Start of MODEL   12
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   1.848   0.905  -1.809
    3   2HA   GLY   1          2HA       GLY   1   3.142   0.015  -1.032
    4    H    SER   2           HN       SER   2   2.836  -2.444  -0.845
    5    HA   SER   2           HA       SER   2   2.522  -4.382  -1.768
    6   1HB   SER   2          2HB       SER   2  -0.017  -3.039  -2.753
    7   2HB   SER   2          3HB       SER   2   0.351  -4.695  -3.192
    8    HG   SER   2           HG       SER   2  -0.572  -3.669  -0.781
    9    H    SER   3           HN       SER   3   2.741  -5.600  -3.864
   10    HA   SER   3           HA       SER   3   3.582  -5.874  -5.844
   11   1HB   SER   3          2HB       SER   3   1.632  -3.835  -6.198
   12   2HB   SER   3          3HB       SER   3   3.019  -3.323  -7.138
   13    HG   SER   3           HG       SER   3   3.011  -5.425  -8.192
   14    H    ARG   4           HN       ARG   4   5.779  -5.839  -5.072
   15    HA   ARG   4           HA       ARG   4   7.249  -3.645  -6.150
   16   1HB   ARG   4          2HB       ARG   4   6.831  -3.988  -3.226
   17   2HB   ARG   4          3HB       ARG   4   8.521  -3.862  -3.672
   18   1HG   ARG   4          2HG       ARG   4   8.214  -1.610  -3.716
   19   2HG   ARG   4          3HG       ARG   4   7.342  -1.854  -5.216
   20   1HD   ARG   4          2HD       ARG   4   5.239  -2.278  -3.754
   21   2HD   ARG   4          3HD       ARG   4   6.174  -1.660  -2.407
   22    HE   ARG   4           HE       ARG   4   5.009  -0.094  -4.550
   23   1HH1  ARG   4          1HH1      ARG   4   6.584   2.887  -3.715
   24   1HH2  ARG   4          2HH2      ARG   4   7.772  -0.193  -2.334
   25   2HH2  ARG   4          1HH2      ARG   4   8.025   1.520  -2.374
   26    H    CYS   5           HN       CYS   5   9.470  -4.243  -6.591
   27    HA   CYS   5           HA       CYS   5  10.744  -6.432  -5.499
   28   1HB   CYS   5          2HB       CYS   5   9.072  -7.846  -6.493
   29   2HB   CYS   5          3HB       CYS   5   9.268  -7.077  -8.056
   30    HA   PRO   6           HA       PRO   6  13.010  -3.543  -8.180
   31   1HB   PRO   6          2HB       PRO   6  14.747  -2.587  -6.298
   32   2HB   PRO   6          3HB       PRO   6  13.238  -1.792  -6.702
   33   1HG   PRO   6          2HG       PRO   6  13.905  -3.400  -4.313
   34   2HG   PRO   6          3HG       PRO   6  12.588  -2.266  -4.540
   35   1HD   PRO   6          2HD       PRO   6  12.414  -5.129  -4.582
   36   2HD   PRO   6          3HD       PRO   6  11.122  -3.995  -4.924
   37    HA   PRO   7           HA       PRO   7  16.445  -5.935  -8.908
   38   1HB   PRO   7          2HB       PRO   7  18.439  -4.212  -9.632
   39   2HB   PRO   7          3HB       PRO   7  17.152  -4.698 -10.717
   40   1HG   PRO   7          2HG       PRO   7  17.511  -2.129  -9.300
   41   2HG   PRO   7          3HG       PRO   7  16.500  -2.486 -10.686
   42   1HD   PRO   7          2HD       PRO   7  15.636  -2.156  -7.971
   43   2HD   PRO   7          3HD       PRO   7  14.644  -2.627  -9.336
   44    H    GLY   8           HN       GLY   8  17.903  -7.170  -7.849
   45   1HA   GLY   8          1HA       GLY   8  19.864  -6.079  -6.171
   46   2HA   GLY   8          2HA       GLY   8  18.472  -6.481  -5.185
   47    H    GLN   9           HN       GLN   9  20.834  -7.806  -7.560
   48    HA   GLN   9           HA       GLN   9  20.358 -10.404  -6.322
   49   1HB   GLN   9          2HB       GLN   9  20.932 -11.435  -8.546
   50   2HB   GLN   9          3HB       GLN   9  19.440 -10.516  -8.561
   51   1HG   GLN   9          2HG       GLN   9  20.267  -8.948 -10.013
   52   2HG   GLN   9          3HG       GLN   9  21.818  -8.868  -9.200
   53   1HE2  GLN   9          1HE2      GLN   9  22.172  -8.714 -11.687
   54   2HE2  GLN   9          2HE2      GLN   9  22.642 -10.185 -12.472
   55    H    PHE  10           HN       PHE  10  22.242  -8.364  -5.464
   56    HA   PHE  10           HA       PHE  10  24.787  -8.826  -6.563
   57   1HB   PHE  10          2HB       PHE  10  25.476  -7.612  -4.468
   58   2HB   PHE  10          3HB       PHE  10  24.088  -6.833  -5.201
   59    HD1  PHE  10           HD1      PHE  10  24.608  -6.179  -2.493
   60    HD2  PHE  10           HD2      PHE  10  22.554  -9.568  -4.012
   61    HE1  PHE  10           HE1      PHE  10  23.350  -6.386  -0.331
   62    HE2  PHE  10           HE2      PHE  10  21.296  -9.775  -1.850
   63    HZ   PHE  10           HZ       PHE  10  21.710  -8.182  -0.035
   64    H    ARG  11           HN       ARG  11  26.233  -9.177  -3.989
   65    HA   ARG  11           HA       ARG  11  25.721 -12.028  -3.698
   66   1HB   ARG  11          2HB       ARG  11  28.113 -10.619  -4.422
   67   2HB   ARG  11          3HB       ARG  11  28.386 -11.249  -2.810
   68   1HG   ARG  11          2HG       ARG  11  27.399 -13.498  -3.776
   69   2HG   ARG  11          3HG       ARG  11  27.724 -12.785  -5.343
   70   1HD   ARG  11          2HD       ARG  11  30.032 -12.438  -3.575
   71   2HD   ARG  11          3HD       ARG  11  29.577 -14.128  -3.654
   72    HE   ARG  11           HE       ARG  11  29.513 -13.139  -6.312
   73   1HH1  ARG  11          1HH1      ARG  11  32.797 -13.798  -7.231
   74   1HH2  ARG  11          2HH2      ARG  11  31.915 -13.678  -3.764
   75   2HH2  ARG  11          1HH2      ARG  11  33.220 -13.927  -4.875
   76    H    CYS  12           HN       CYS  12  24.672  -9.541  -2.193
   77    HA   CYS  12           HA       CYS  12  24.067  -9.131  -0.116
   78   1HB   CYS  12          2HB       CYS  12  23.974 -11.559   0.240
   79   2HB   CYS  12          3HB       CYS  12  25.670 -11.570   0.680
   80    H    SER  13           HN       SER  13  25.934  -7.516  -1.149
   81    HA   SER  13           HA       SER  13  27.702  -7.097   1.102
   82   1HB   SER  13          2HB       SER  13  29.515  -6.425  -0.646
   83   2HB   SER  13          3HB       SER  13  29.276  -8.128  -0.309
   84    HG   SER  13           HG       SER  13  29.009  -6.803  -2.682
   85    H    GLU  14           HN       GLU  14  25.182  -6.003  -0.560
   86    HA   GLU  14           HA       GLU  14  25.419  -3.407   0.213
   87   1HB   GLU  14          2HB       GLU  14  25.633  -2.320  -2.137
   88   2HB   GLU  14          3HB       GLU  14  27.101  -2.861  -1.348
   89   1HG   GLU  14          2HG       GLU  14  26.938  -5.039  -2.627
   90   2HG   GLU  14          3HG       GLU  14  25.537  -4.406  -3.469
   91    HE2  GLU  14           HE2      GLU  14  27.061  -4.729  -5.308
   92    HA   PRO  15           HA       PRO  15  21.276  -4.354  -0.924
   93   1HB   PRO  15          2HB       PRO  15  20.059  -2.543   0.721
   94   2HB   PRO  15          3HB       PRO  15  20.515  -4.154   1.240
   95   1HG   PRO  15          2HG       PRO  15  21.813  -1.571   1.858
   96   2HG   PRO  15          3HG       PRO  15  21.979  -3.108   2.683
   97   1HD   PRO  15          2HD       PRO  15  23.858  -1.921   0.870
   98   2HD   PRO  15          3HD       PRO  15  23.970  -3.508   1.605
   99    HA   PRO  16           HA       PRO  16  21.040  -1.262  -3.924
  100   1HB   PRO  16          2HB       PRO  16  19.588  -2.669  -5.763
  101   2HB   PRO  16          3HB       PRO  16  21.338  -2.715  -5.685
  102   1HG   PRO  16          2HG       PRO  16  19.389  -4.762  -4.818
  103   2HG   PRO  16          3HG       PRO  16  21.101  -4.945  -5.144
  104   1HD   PRO  16          2HD       PRO  16  19.850  -4.805  -2.567
  105   2HD   PRO  16          3HD       PRO  16  21.570  -4.871  -2.895
  106    H    GLY  17           HN       GLY  17  18.140  -3.255  -3.531
  107   1HA   GLY  17          1HA       GLY  17  16.688  -0.772  -2.890
  108   2HA   GLY  17          2HA       GLY  17  16.102  -1.836  -4.153
  109    H    ALA  18           HN       ALA  18  17.322  -2.070  -0.730
  110    HA   ALA  18           HA       ALA  18  16.293  -4.440   0.001
  111   1HB   ALA  18          1HB       ALA  18  15.726  -2.713   2.160
  112   2HB   ALA  18          2HB       ALA  18  17.228  -3.625   1.876
  113   3HB   ALA  18          3HB       ALA  18  17.077  -1.953   1.286
  114    H    HIS  19           HN       HIS  19  14.316  -5.393   0.135
  115    HA   HIS  19           HA       HIS  19  12.020  -4.126   0.965
  116   1HB   HIS  19          2HB       HIS  19  12.661  -3.437  -1.722
  117   2HB   HIS  19          3HB       HIS  19  11.288  -4.524  -1.783
  118    HD1  HIS  19           HD1      HIS  19  12.118  -1.028  -1.315
  119    HD2  HIS  19           HD2      HIS  19   9.087  -3.587   0.048
  120    HE1  HIS  19           HE1      HIS  19  10.218   0.476  -0.516
  121    H    GLY  20           HN       GLY  20  11.988  -6.120   2.122
  122   1HA   GLY  20          1HA       GLY  20  12.297  -8.651   1.276
  123   2HA   GLY  20          2HA       GLY  20  11.081  -8.171   2.443
  124    H    GLU  21           HN       GLU  21   9.735  -6.410   0.288
  125    HA   GLU  21           HA       GLU  21   7.685  -7.947  -0.358
  126   1HB   GLU  21          2HB       GLU  21   8.377  -5.410  -0.952
  127   2HB   GLU  21          3HB       GLU  21   8.644  -6.109  -2.536
  128   1HG   GLU  21          2HG       GLU  21   6.414  -6.017  -2.923
  129   2HG   GLU  21          3HG       GLU  21   6.164  -7.188  -1.643
  130    HE2  GLU  21           HE2      GLU  21   5.242  -6.396   0.215
  131    H    CYS  22           HN       CYS  22  10.889  -7.980  -1.906
  132    HA   CYS  22           HA       CYS  22   9.970 -10.267  -3.478
  133   1HB   CYS  22          2HB       CYS  22  10.160  -8.191  -4.884
  134   2HB   CYS  22          3HB       CYS  22  11.875  -8.166  -4.524
  135    H    TYR  23           HN       TYR  23  13.078  -8.431  -3.021
  136    HA   TYR  23           HA       TYR  23  14.391 -10.933  -2.356
  137   1HB   TYR  23          2HB       TYR  23  14.946  -8.318  -3.547
  138   2HB   TYR  23          3HB       TYR  23  16.019  -8.520  -2.176
  139    HD1  TYR  23           HD1      TYR  23  17.883 -10.021  -2.263
  140    HD2  TYR  23           HD2      TYR  23  15.008  -9.986  -5.432
  141    HE1  TYR  23           HE1      TYR  23  19.428 -11.449  -3.691
  142    HE2  TYR  23           HE2      TYR  23  16.563 -11.413  -6.849
  143    HH   TYR  23           HH       TYR  23  19.800 -12.249  -5.688
  144    HA   PRO  24           HA       PRO  24  14.532 -10.108   1.890
  145   1HB   PRO  24          2HB       PRO  24  16.651 -11.660   2.646
  146   2HB   PRO  24          3HB       PRO  24  15.044 -12.301   2.370
  147   1HG   PRO  24          2HG       PRO  24  17.442 -12.513   0.655
  148   2HG   PRO  24          3HG       PRO  24  15.979 -13.477   0.621
  149   1HD   PRO  24          2HD       PRO  24  16.693 -11.377  -1.197
  150   2HD   PRO  24          3HD       PRO  24  15.181 -12.262  -1.160
  151    H    GLN  25           HN       GLN  25  16.323  -8.579  -0.172
  152    HA   GLN  25           HA       GLN  25  18.622  -7.844   0.971
  153   1HB   GLN  25          2HB       GLN  25  16.570  -6.294  -0.620
  154   2HB   GLN  25          3HB       GLN  25  17.996  -5.467  -0.026
  155   1HG   GLN  25          2HG       GLN  25  19.430  -6.616  -1.435
  156   2HG   GLN  25          3HG       GLN  25  18.502  -8.101  -1.352
  157   1HE2  GLN  25          1HE2      GLN  25  17.913  -4.724  -2.342
  158   2HE2  GLN  25          2HE2      GLN  25  17.197  -5.069  -3.880
  159    H    ASP  26           HN       ASP  26  15.389  -7.257   2.190
  160    HA   ASP  26           HA       ASP  26  15.648  -4.988   3.605
  161   1HB   ASP  26          2HB       ASP  26  13.538  -5.964   3.782
  162   2HB   ASP  26          3HB       ASP  26  14.184  -7.577   4.010
  163    HD2  ASP  26           HD2      ASP  26  13.019  -4.853   5.640
  164    H    TRP  27           HN       TRP  27  16.702  -8.347   4.477
  165    HA   TRP  27           HA       TRP  27  17.459  -8.070   7.049
  166   1HB   TRP  27          2HB       TRP  27  18.753  -9.567   4.778
  167   2HB   TRP  27          3HB       TRP  27  19.354  -9.674   6.421
  168    HD1  TRP  27           HD1      TRP  27  15.563  -9.619   5.580
  169    HE1  TRP  27           HE1      TRP  27  14.401 -11.865   6.335
  170    HE3  TRP  27           HE3      TRP  27  19.848 -11.992   6.945
  171    HZ2  TRP  27           HZ2      TRP  27  15.382 -14.326   7.395
  172    HZ3  TRP  27           HZ3      TRP  27  19.658 -14.315   7.831
  173    HH2  TRP  27           HH2      TRP  27  17.522 -15.480   8.065
  174    H    LEU  28           HN       LEU  28  19.061  -6.803   4.097
  175    HA   LEU  28           HA       LEU  28  21.346  -5.876   5.551
  176   1HB   LEU  28          2HB       LEU  28  20.413  -5.234   2.750
  177   2HB   LEU  28          3HB       LEU  28  21.993  -4.885   3.424
  178    HG   LEU  28           HG       LEU  28  21.833  -7.591   3.829
  179   1HD1  LEU  28          1HD1      LEU  28  20.437  -7.020   1.199
  180   2HD1  LEU  28          2HD1      LEU  28  21.015  -8.609   1.756
  181   3HD1  LEU  28          3HD1      LEU  28  19.712  -7.777   2.638
  182   1HD2  LEU  28          1HD2      LEU  28  23.233  -5.749   2.082
  183   2HD2  LEU  28          2HD2      LEU  28  23.809  -7.233   2.878
  184   3HD2  LEU  28          3HD2      LEU  28  22.993  -7.330   1.300
  185    H    CYS  29           HN       CYS  29  21.945  -3.576   5.756
  186    HA   CYS  29           HA       CYS  29  21.478  -1.633   6.701
  187   1HB   CYS  29          2HB       CYS  29  20.323  -1.672   4.049
  188   2HB   CYS  29          3HB       CYS  29  19.431  -0.578   5.088
  189    H    ASP  30           HN       ASP  30  20.533  -2.772   8.622
  190    HA   ASP  30           HA       ASP  30  17.711  -2.113   8.818
  191   1HB   ASP  30          2HB       ASP  30  17.148  -4.190   9.802
  192   2HB   ASP  30          3HB       ASP  30  18.212  -4.643   8.486
  193    H    GLY  31           HN       GLY  31  20.715  -3.235  10.546
  194   1HA   GLY  31          1HA       GLY  31  20.862  -1.034  12.272
  195   2HA   GLY  31          2HA       GLY  31  20.000  -2.313  13.103
  196    H    HIS  32           HN       HIS  32  21.237  -4.642  12.105
  197    HA   HIS  32           HA       HIS  32  24.005  -4.223  12.973
  198   1HB   HIS  32          2HB       HIS  32  21.921  -6.021  13.963
  199   2HB   HIS  32          3HB       HIS  32  23.383  -6.880  13.519
  200    HD1  HIS  32           HD1      HIS  32  22.181  -6.203  16.497
  201    HD2  HIS  32           HD2      HIS  32  25.519  -4.499  14.612
  202    HE1  HIS  32           HE1      HIS  32  23.671  -5.300  18.361
  203    HA   PRO  33           HA       PRO  33  24.922  -5.959   9.097
  204   1HB   PRO  33          2HB       PRO  33  27.637  -6.130   9.355
  205   2HB   PRO  33          3HB       PRO  33  26.810  -4.658   8.887
  206   1HG   PRO  33          2HG       PRO  33  28.035  -5.350  11.487
  207   2HG   PRO  33          3HG       PRO  33  27.593  -3.771  10.867
  208   1HD   PRO  33          2HD       PRO  33  26.162  -5.310  12.819
  209   2HD   PRO  33          3HD       PRO  33  25.662  -3.786  12.113
  210    H    ASP  34           HN       ASP  34  24.878  -7.926   8.152
  211    HA   ASP  34           HA       ASP  34  26.217 -10.025   9.547
  212   1HB   ASP  34          2HB       ASP  34  23.676 -11.170   9.068
  213   2HB   ASP  34          3HB       ASP  34  24.400 -10.838  10.629
  214    H    CYS  35           HN       CYS  35  27.242  -9.581   7.289
  215    HA   CYS  35           HA       CYS  35  25.814 -11.198   5.319
  216   1HB   CYS  35          2HB       CYS  35  26.439  -8.395   5.106
  217   2HB   CYS  35          3HB       CYS  35  27.345  -9.290   3.901
  218    H    ASP  36           HN       ASP  36  27.906 -11.032   3.339
  219    HA   ASP  36           HA       ASP  36  29.497 -13.026   3.888
  220   1HB   ASP  36          2HB       ASP  36  29.413 -11.487   1.801
  221   2HB   ASP  36          3HB       ASP  36  30.630 -10.509   2.597
  222    HD2  ASP  36           HD2      ASP  36  31.752 -11.348   0.448
  223    H    ASP  37           HN       ASP  37  30.138  -9.562   4.764
  224    HA   ASP  37           HA       ASP  37  32.101 -10.559   6.674
  225   1HB   ASP  37          2HB       ASP  37  32.766  -9.057   4.496
  226   2HB   ASP  37          3HB       ASP  37  32.359  -7.764   5.606
  227    HD2  ASP  37           HD2      ASP  37  34.089  -8.658   8.041
  228    H    GLY  38           HN       GLY  38  30.313  -7.518   5.715
  229   1HA   GLY  38          1HA       GLY  38  28.466  -7.261   7.623
  230   2HA   GLY  38          2HA       GLY  38  29.913  -6.819   8.508
  231    H    ARG  39           HN       ARG  39  29.116  -6.252   5.020
  232    HA   ARG  39           HA       ARG  39  29.434  -3.421   5.609
  233   1HB   ARG  39          2HB       ARG  39  29.892  -3.313   3.039
  234   2HB   ARG  39          3HB       ARG  39  31.142  -4.001   4.057
  235   1HG   ARG  39          2HG       ARG  39  30.398  -6.286   3.519
  236   2HG   ARG  39          3HG       ARG  39  29.018  -5.670   2.632
  237   1HD   ARG  39          2HD       ARG  39  31.957  -5.266   1.895
  238   2HD   ARG  39          3HD       ARG  39  30.816  -6.303   1.062
  239    HE   ARG  39           HE       ARG  39  29.651  -3.732   1.084
  240   1HH1  ARG  39          1HH1      ARG  39  31.043  -2.415  -1.813
  241   1HH2  ARG  39          2HH2      ARG  39  32.573  -5.240  -0.235
  242   2HH2  ARG  39          1HH2      ARG  39  32.685  -4.144  -1.572
  243    H    ASP  40           HN       ASP  40  27.156  -5.825   4.945
  244    HA   ASP  40           HA       ASP  40  25.559  -4.970   2.994
  245   1HB   ASP  40          2HB       ASP  40  23.651  -5.894   4.332
  246   2HB   ASP  40          3HB       ASP  40  25.050  -6.950   4.328
  247    H    GLU  41           HN       GLU  41  26.224  -3.440   6.119
  248    HA   GLU  41           HA       GLU  41  24.569  -1.217   5.306
  249   1HB   GLU  41          2HB       GLU  41  23.555  -1.001   7.555
  250   2HB   GLU  41          3HB       GLU  41  23.103  -2.515   6.796
  251   1HG   GLU  41          2HG       GLU  41  25.259  -3.446   8.071
  252   2HG   GLU  41          3HG       GLU  41  25.016  -2.042   9.090
  253    H    TRP  42           HN       TRP  42  27.330  -1.381   5.050
  254    HA   TRP  42           HA       TRP  42  28.859  -0.680   7.227
  255   1HB   TRP  42          2HB       TRP  42  29.755  -1.329   5.055
  256   2HB   TRP  42          3HB       TRP  42  29.155   0.152   4.335
  257    HD1  TRP  42           HD1      TRP  42  30.213   2.444   6.038
  258    HE1  TRP  42           HE1      TRP  42  32.753   2.955   6.542
  259    HE3  TRP  42           HE3      TRP  42  31.888  -2.267   5.110
  260    HZ2  TRP  42           HZ2      TRP  42  35.124   1.367   6.497
  261    HZ3  TRP  42           HZ3      TRP  42  34.330  -2.702   5.364
  262    HH2  TRP  42           HH2      TRP  42  35.928  -0.977   6.031
  263    H    GLY  43           HN       GLY  43  28.093   1.755   4.669
  264   1HA   GLY  43          1HA       GLY  43  28.083   3.867   6.624
  265   2HA   GLY  43          2HA       GLY  43  27.854   4.004   4.892
  266    H    CYS  44           HN       CYS  44  26.069   2.108   7.430
  267    HA   CYS  44           HA       CYS  44  23.645   3.451   6.480
  268   1HB   CYS  44          2HB       CYS  44  24.135   0.792   6.415
  269   2HB   CYS  44          3HB       CYS  44  23.414   0.922   8.006
  270    H    GLY  45           HN       GLY  45  25.791   2.622   9.172
  271   1HA   GLY  45          1HA       GLY  45  24.224   2.940  11.393
  272   2HA   GLY  45          2HA       GLY  45  25.906   3.418  11.275
  273    H    THR  46           HN       THR  46  23.725   4.739  12.789
  274    HA   THR  46           HA       THR  46  23.681   7.317  11.359
  275    HB   THR  46           HB       THR  46  21.508   7.682  12.288
  276    HG1  THR  46           HG1      THR  46  22.117   5.330  13.933
  277   1HG2  THR  46          1HG2      THR  46  20.174   5.714  11.787
  278   2HG2  THR  46          2HG2      THR  46  21.528   5.702  10.632
  279   3HG2  THR  46          3HG2      THR  46  21.562   4.633  12.055
  280    H    SER  47           HN       SER  47  24.041   9.242  12.567
  281    HA   SER  47           HA       SER  47  24.997  10.476  14.077
  282   1HB   SER  47          2HB       SER  47  23.772   8.387  15.660
  283   2HB   SER  47          3HB       SER  47  25.304   8.815  16.396
  284    HG   SER  47           HG       SER  47  22.947  10.348  16.102
  Start of MODEL   13
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   3.127   0.189  -1.041
    3   2HA   GLY   1          2HA       GLY   1   2.010  -0.983  -1.712
    4    H    SER   2           HN       SER   2   3.393   1.941  -2.344
    5    HA   SER   2           HA       SER   2   1.176   2.650  -4.058
    6   1HB   SER   2          2HB       SER   2   2.006   4.185  -1.735
    7   2HB   SER   2          3HB       SER   2   2.315   5.120  -3.185
    8    HG   SER   2           HG       SER   2   0.138   5.415  -2.301
    9    H    SER   3           HN       SER   3   4.097   1.480  -4.029
   10    HA   SER   3           HA       SER   3   5.806   1.482  -5.367
   11   1HB   SER   3          2HB       SER   3   3.852   3.099  -6.966
   12   2HB   SER   3          3HB       SER   3   5.524   3.161  -7.487
   13    HG   SER   3           HG       SER   3   5.541   0.943  -7.851
   14    H    ARG   4           HN       ARG   4   7.229   2.426  -3.802
   15    HA   ARG   4           HA       ARG   4   7.877   5.179  -4.441
   16   1HB   ARG   4          2HB       ARG   4   7.387   3.982  -1.685
   17   2HB   ARG   4          3HB       ARG   4   8.425   5.381  -1.871
   18   1HG   ARG   4          2HG       ARG   4   5.940   5.740  -3.381
   19   2HG   ARG   4          3HG       ARG   4   5.590   5.362  -1.706
   20   1HD   ARG   4          2HD       ARG   4   7.405   7.173  -1.133
   21   2HD   ARG   4          3HD       ARG   4   7.227   7.680  -2.800
   22    HE   ARG   4           HE       ARG   4   5.315   8.109  -0.651
   23   1HH1  ARG   4          1HH1      ARG   4   2.814   9.401  -2.686
   24   1HH2  ARG   4          2HH2      ARG   4   5.578   7.667  -4.157
   25   2HH2  ARG   4          1HH2      ARG   4   4.100   8.502  -4.498
   26    H    CYS   5           HN       CYS   5  10.100   5.616  -2.905
   27    HA   CYS   5           HA       CYS   5  11.784   3.482  -2.453
   28   1HB   CYS   5          2HB       CYS   5  11.744   2.960  -4.786
   29   2HB   CYS   5          3HB       CYS   5  12.045   4.627  -5.234
   30    HA   PRO   6           HA       PRO   6  12.972   7.682  -1.171
   31   1HB   PRO   6          2HB       PRO   6  12.947   7.262   1.530
   32   2HB   PRO   6          3HB       PRO   6  11.578   7.911   0.648
   33   1HG   PRO   6          2HG       PRO   6  11.952   5.195   1.753
   34   2HG   PRO   6          3HG       PRO   6  10.468   5.984   1.259
   35   1HD   PRO   6          2HD       PRO   6  11.910   3.976  -0.196
   36   2HD   PRO   6          3HD       PRO   6  10.492   4.848  -0.740
   37    HA   PRO   7           HA       PRO   7  17.087   6.789  -0.665
   38   1HB   PRO   7          2HB       PRO   7  18.093   9.147   0.283
   39   2HB   PRO   7          3HB       PRO   7  17.749   8.864  -1.412
   40   1HG   PRO   7          2HG       PRO   7  16.226  10.473   0.545
   41   2HG   PRO   7          3HG       PRO   7  16.154  10.516  -1.205
   42   1HD   PRO   7          2HD       PRO   7  14.253   9.294   0.561
   43   2HD   PRO   7          3HD       PRO   7  14.243   9.238  -1.190
   44    H    GLY   8           HN       GLY   8  17.910   5.330   0.681
   45   1HA   GLY   8          1HA       GLY   8  18.704   6.041   3.267
   46   2HA   GLY   8          2HA       GLY   8  17.131   5.277   3.386
   47    H    GLN   9           HN       GLN   9  20.505   4.847   2.231
   48    HA   GLN   9           HA       GLN   9  20.018   1.974   2.391
   49   1HB   GLN   9          2HB       GLN   9  21.906   1.776   0.676
   50   2HB   GLN   9          3HB       GLN   9  20.395   2.430   0.075
   51   1HG   GLN   9          2HG       GLN   9  22.493   4.338   1.131
   52   2HG   GLN   9          3HG       GLN   9  22.709   3.641  -0.463
   53   1HE2  GLN   9          1HE2      GLN   9  22.484   6.269  -0.341
   54   2HE2  GLN   9          2HE2      GLN   9  20.954   6.842  -0.917
   55    H    PHE  10           HN       PHE  10  21.843   0.668   3.189
   56    HA   PHE  10           HA       PHE  10  24.170   1.959   4.166
   57   1HB   PHE  10          2HB       PHE  10  23.628   1.619   6.581
   58   2HB   PHE  10          3HB       PHE  10  22.418   2.659   5.857
   59    HD1  PHE  10           HD1      PHE  10  21.712   1.471   8.324
   60    HD2  PHE  10           HD2      PHE  10  21.505  -0.252   4.451
   61    HE1  PHE  10           HE1      PHE  10  19.906  -0.084   9.111
   62    HE2  PHE  10           HE2      PHE  10  19.699  -1.806   5.239
   63    HZ   PHE  10           HZ       PHE  10  18.921  -1.704   7.560
   64    H    ARG  11           HN       ARG  11  24.640   0.055   6.342
   65    HA   ARG  11           HA       ARG  11  24.795  -2.349   4.709
   66   1HB   ARG  11          2HB       ARG  11  26.831  -0.863   6.078
   67   2HB   ARG  11          3HB       ARG  11  26.648  -2.367   6.959
   68   1HG   ARG  11          2HG       ARG  11  27.019  -3.684   4.929
   69   2HG   ARG  11          3HG       ARG  11  26.971  -2.248   3.926
   70   1HD   ARG  11          2HD       ARG  11  28.994  -1.383   5.274
   71   2HD   ARG  11          3HD       ARG  11  29.100  -2.980   5.987
   72    HE   ARG  11           HE       ARG  11  28.975  -3.073   3.070
   73   1HH1  ARG  11          1HH1      ARG  11  32.345  -3.808   2.657
   74   1HH2  ARG  11          2HH2      ARG  11  31.157  -2.655   5.830
   75   2HH2  ARG  11          1HH2      ARG  11  32.562  -3.168   4.956
   76    H    CYS  12           HN       CYS  12  22.801  -1.159   6.883
   77    HA   CYS  12           HA       CYS  12  21.320  -2.233   8.163
   78   1HB   CYS  12          2HB       CYS  12  22.206  -4.399   7.078
   79   2HB   CYS  12          3HB       CYS  12  23.154  -4.591   8.539
   80    H    SER  13           HN       SER  13  22.736  -0.222   9.153
   81    HA   SER  13           HA       SER  13  23.415  -1.157  11.803
   82   1HB   SER  13          2HB       SER  13  25.382   0.530  11.771
   83   2HB   SER  13          3HB       SER  13  25.616  -1.004  10.955
   84    HG   SER  13           HG       SER  13  25.924   0.048   9.124
   85    H    GLU  14           HN       GLU  14  21.415   0.587   9.967
   86    HA   GLU  14           HA       GLU  14  20.442   2.139  11.965
   87   1HB   GLU  14          2HB       GLU  14  21.123   4.470  11.070
   88   2HB   GLU  14          3HB       GLU  14  22.302   3.601  12.031
   89   1HG   GLU  14          2HG       GLU  14  23.322   2.725   9.867
   90   2HG   GLU  14          3HG       GLU  14  22.220   3.761   8.983
   91    HE2  GLU  14           HE2      GLU  14  23.389   5.737   8.482
   92    HA   PRO  15           HA       PRO  15  17.600   1.992   8.622
   93   1HB   PRO  15          2HB       PRO  15  15.338   2.491  10.073
   94   2HB   PRO  15          3HB       PRO  15  16.020   0.888   9.882
   95   1HG   PRO  15          2HG       PRO  15  16.105   2.670  12.240
   96   2HG   PRO  15          3HG       PRO  15  16.393   0.943  12.158
   97   1HD   PRO  15          2HD       PRO  15  18.375   3.004  12.389
   98   2HD   PRO  15          3HD       PRO  15  18.666   1.287  12.191
   99    HA   PRO  16           HA       PRO  16  17.627   6.236   7.861
  100   1HB   PRO  16          2HB       PRO  16  17.467   6.107   5.136
  101   2HB   PRO  16          3HB       PRO  16  18.985   6.059   6.011
  102   1HG   PRO  16          2HG       PRO  16  17.536   3.846   4.690
  103   2HG   PRO  16          3HG       PRO  16  19.215   3.917   5.187
  104   1HD   PRO  16          2HD       PRO  16  17.088   2.531   6.522
  105   2HD   PRO  16          3HD       PRO  16  18.741   2.699   7.078
  106    H    GLY  17           HN       GLY  17  15.601   4.579   5.490
  107   1HA   GLY  17          1HA       GLY  17  13.270   5.906   6.693
  108   2HA   GLY  17          2HA       GLY  17  13.638   6.189   5.003
  109    H    ALA  18           HN       ALA  18  12.258   3.994   7.339
  110    HA   ALA  18           HA       ALA  18  12.362   1.564   6.123
  111   1HB   ALA  18          1HB       ALA  18   9.707   1.916   7.087
  112   2HB   ALA  18          2HB       ALA  18  11.091   1.185   7.935
  113   3HB   ALA  18          3HB       ALA  18  10.763   2.926   8.103
  114    H    HIS  19           HN       HIS  19  11.691   0.717   4.209
  115    HA   HIS  19           HA       HIS  19   9.307   1.301   2.984
  116   1HB   HIS  19          2HB       HIS  19  11.304   3.341   2.509
  117   2HB   HIS  19          3HB       HIS  19  10.898   2.535   1.006
  118    HD1  HIS  19           HD1      HIS  19   8.142   2.368   0.564
  119    HD2  HIS  19           HD2      HIS  19   9.542   5.314   3.202
  120    HE1  HIS  19           HE1      HIS  19   6.275   4.096   0.763
  121    H    GLY  20           HN       GLY  20   9.497  -1.011   2.900
  122   1HA   GLY  20          1HA       GLY  20  11.666  -2.320   1.633
  123   2HA   GLY  20          2HA       GLY  20  10.094  -2.994   2.016
  124    H    GLU  21           HN       GLU  21   9.397  -0.207   0.312
  125    HA   GLU  21           HA       GLU  21   8.647  -1.680  -1.958
  126   1HB   GLU  21          2HB       GLU  21   7.753   0.611  -0.822
  127   2HB   GLU  21          3HB       GLU  21   8.764   1.317  -2.067
  128   1HG   GLU  21          2HG       GLU  21   6.574  -0.757  -2.561
  129   2HG   GLU  21          3HG       GLU  21   6.403   0.966  -2.834
  130    HE2  GLU  21           HE2      GLU  21   7.777   0.967  -5.834
  131    H    CYS  22           HN       CYS  22  11.632  -0.377  -0.962
  132    HA   CYS  22           HA       CYS  22  12.620  -0.617  -3.685
  133   1HB   CYS  22          2HB       CYS  22  12.219   1.787  -3.306
  134   2HB   CYS  22          3HB       CYS  22  13.260   1.739  -1.897
  135    H    TYR  23           HN       TYR  23  14.047   0.593  -0.576
  136    HA   TYR  23           HA       TYR  23  16.071  -1.472  -0.759
  137   1HB   TYR  23          2HB       TYR  23  15.438   1.059   0.830
  138   2HB   TYR  23          3HB       TYR  23  16.637  -0.042   1.479
  139    HD1  TYR  23           HD1      TYR  23  18.608  -0.696  -0.112
  140    HD2  TYR  23           HD2      TYR  23  16.072   2.695  -0.723
  141    HE1  TYR  23           HE1      TYR  23  20.380   0.373  -1.590
  142    HE2  TYR  23           HE2      TYR  23  17.852   3.752  -2.198
  143    HH   TYR  23           HH       TYR  23  20.331   3.596  -2.417
  144    HA   PRO  24           HA       PRO  24  14.536  -3.945   2.441
  145   1HB   PRO  24          2HB       PRO  24  16.760  -4.713   3.830
  146   2HB   PRO  24          3HB       PRO  24  16.292  -5.427   2.300
  147   1HG   PRO  24          2HG       PRO  24  18.460  -3.497   2.858
  148   2HG   PRO  24          3HG       PRO  24  18.244  -4.531   1.460
  149   1HD   PRO  24          2HD       PRO  24  17.721  -1.714   1.609
  150   2HD   PRO  24          3HD       PRO  24  17.396  -2.770   0.249
  151    H    GLN  25           HN       GLN  25  15.140  -0.932   2.984
  152    HA   GLN  25           HA       GLN  25  15.728  -0.567   5.569
  153   1HB   GLN  25          2HB       GLN  25  13.569   0.851   3.946
  154   2HB   GLN  25          3HB       GLN  25  14.223   1.459   5.454
  155   1HG   GLN  25          2HG       GLN  25  16.378   1.838   4.521
  156   2HG   GLN  25          3HG       GLN  25  16.103   0.737   3.186
  157   1HE2  GLN  25          1HE2      GLN  25  13.766   1.424   2.131
  158   2HE2  GLN  25          2HE2      GLN  25  13.758   3.049   1.531
  159    H    ASP  26           HN       ASP  26  12.653  -1.783   4.189
  160    HA   ASP  26           HA       ASP  26  11.022  -1.501   6.329
  161   1HB   ASP  26          2HB       ASP  26   9.982  -2.372   4.420
  162   2HB   ASP  26          3HB       ASP  26  11.276  -3.510   4.103
  163    HD2  ASP  26           HD2      ASP  26   9.179  -3.099   6.893
  164    H    TRP  27           HN       TRP  27  13.476  -4.053   5.586
  165    HA   TRP  27           HA       TRP  27  12.975  -5.952   7.417
  166   1HB   TRP  27          2HB       TRP  27  15.616  -4.768   6.566
  167   2HB   TRP  27          3HB       TRP  27  15.496  -6.190   7.583
  168    HD1  TRP  27           HD1      TRP  27  14.169  -5.106   4.062
  169    HE1  TRP  27           HE1      TRP  27  14.138  -7.169   2.417
  170    HE3  TRP  27           HE3      TRP  27  15.715  -8.531   7.488
  171    HZ2  TRP  27           HZ2      TRP  27  14.749  -9.939   2.725
  172    HZ3  TRP  27           HZ3      TRP  27  15.972 -10.893   6.734
  173    HH2  TRP  27           HH2      TRP  27  15.517 -11.617   4.444
  174    H    LEU  28           HN       LEU  28  14.550  -2.741   7.961
  175    HA   LEU  28           HA       LEU  28  15.075  -3.175  10.686
  176   1HB   LEU  28          2HB       LEU  28  14.679  -0.571   9.208
  177   2HB   LEU  28          3HB       LEU  28  15.455  -0.776  10.765
  178    HG   LEU  28           HG       LEU  28  16.870  -2.493   9.071
  179   1HD1  LEU  28          1HD1      LEU  28  16.511  -1.787   6.984
  180   2HD1  LEU  28          2HD1      LEU  28  15.700  -0.298   7.528
  181   3HD1  LEU  28          3HD1      LEU  28  17.477  -0.360   7.433
  182   1HD2  LEU  28          1HD2      LEU  28  18.013   0.199   9.423
  183   2HD2  LEU  28          2HD2      LEU  28  17.415  -0.562  10.917
  184   3HD2  LEU  28          3HD2      LEU  28  18.631  -1.395   9.919
  185    H    CYS  29           HN       CYS  29  13.986  -2.255  12.561
  186    HA   CYS  29           HA       CYS  29  12.144  -2.263  13.799
  187   1HB   CYS  29          2HB       CYS  29  12.385   0.085  13.231
  188   2HB   CYS  29          3HB       CYS  29  11.428  -0.130  11.779
  189    H    ASP  30           HN       ASP  30  11.490  -4.479  13.190
  190    HA   ASP  30           HA       ASP  30   9.041  -4.401  11.629
  191   1HB   ASP  30          2HB       ASP  30   9.629  -6.247  10.313
  192   2HB   ASP  30          3HB       ASP  30  11.160  -5.403  10.427
  193    H    GLY  31           HN       GLY  31  11.247  -6.268  13.834
  194   1HA   GLY  31          1HA       GLY  31   9.315  -6.685  15.822
  195   2HA   GLY  31          2HA       GLY  31   9.344  -8.100  14.788
  196    H    HIS  32           HN       HIS  32  12.010  -8.363  14.045
  197    HA   HIS  32           HA       HIS  32  13.404  -8.475  16.617
  198   1HB   HIS  32          2HB       HIS  32  12.474 -10.669  15.058
  199   2HB   HIS  32          3HB       HIS  32  14.220 -10.639  14.914
  200    HD1  HIS  32           HD1      HIS  32  12.414  -9.568  18.081
  201    HD2  HIS  32           HD2      HIS  32  14.686 -12.783  16.633
  202    HE1  HIS  32           HE1      HIS  32  12.922 -11.050  20.096
  203    HA   PRO  33           HA       PRO  33  16.666  -6.680  14.419
  204   1HB   PRO  33          2HB       PRO  33  18.837  -7.443  15.893
  205   2HB   PRO  33          3HB       PRO  33  17.778  -6.127  16.358
  206   1HG   PRO  33          2HG       PRO  33  17.950  -8.855  17.484
  207   2HG   PRO  33          3HG       PRO  33  17.227  -7.422  18.186
  208   1HD   PRO  33          2HD       PRO  33  15.844  -9.620  16.968
  209   2HD   PRO  33          3HD       PRO  33  15.131  -8.134  17.565
  210    H    ASP  34           HN       ASP  34  18.610  -6.938  13.080
  211    HA   ASP  34           HA       ASP  34  19.422  -9.591  12.606
  212   1HB   ASP  34          2HB       ASP  34  18.662  -9.651  10.194
  213   2HB   ASP  34          3HB       ASP  34  17.359  -9.795  11.356
  214    H    CYS  35           HN       CYS  35  20.510  -6.906  13.246
  215    HA   CYS  35           HA       CYS  35  21.977  -6.352  10.770
  216   1HB   CYS  35          2HB       CYS  35  20.973  -4.581  12.954
  217   2HB   CYS  35          3HB       CYS  35  22.484  -4.154  12.175
  218    H    ASP  36           HN       ASP  36  24.172  -4.996  11.814
  219    HA   ASP  36           HA       ASP  36  25.936  -6.834  12.427
  220   1HB   ASP  36          2HB       ASP  36  25.919  -4.082  12.428
  221   2HB   ASP  36          3HB       ASP  36  26.207  -4.389  14.129
  222    HD2  ASP  36           HD2      ASP  36  28.752  -4.640  11.264
  223    H    ASP  37           HN       ASP  37  24.170  -4.848  14.933
  224    HA   ASP  37           HA       ASP  37  24.791  -6.957  16.841
  225   1HB   ASP  37          2HB       ASP  37  25.150  -4.199  17.014
  226   2HB   ASP  37          3HB       ASP  37  23.629  -4.419  17.856
  227    HD2  ASP  37           HD2      ASP  37  24.579  -3.920  19.829
  228    H    GLY  38           HN       GLY  38  22.254  -4.571  15.783
  229   1HA   GLY  38          1HA       GLY  38  20.081  -5.726  15.271
  230   2HA   GLY  38          2HA       GLY  38  20.185  -6.366  16.899
  231    H    ARG  39           HN       ARG  39  20.765  -3.106  15.376
  232    HA   ARG  39           HA       ARG  39  19.142  -2.029  17.534
  233   1HB   ARG  39          2HB       ARG  39  20.305   0.191  16.780
  234   2HB   ARG  39          3HB       ARG  39  21.270  -0.979  17.656
  235   1HG   ARG  39          2HG       ARG  39  22.238  -1.837  15.566
  236   2HG   ARG  39          3HG       ARG  39  21.162  -0.838  14.608
  237   1HD   ARG  39          2HD       ARG  39  22.977   0.589  14.595
  238   2HD   ARG  39          3HD       ARG  39  22.288   1.122  16.116
  239    HE   ARG  39           HE       ARG  39  23.959  -1.097  16.702
  240   1HH1  ARG  39          1HH1      ARG  39  26.938   0.594  17.277
  241   1HH2  ARG  39          2HH2      ARG  39  24.302   2.208  15.471
  242   2HH2  ARG  39          1HH2      ARG  39  25.912   2.400  16.082
  243    H    ASP  40           HN       ASP  40  19.255  -2.717  14.158
  244    HA   ASP  40           HA       ASP  40  18.043  -0.605  12.988
  245   1HB   ASP  40          2HB       ASP  40  16.991  -2.377  11.447
  246   2HB   ASP  40          3HB       ASP  40  18.735  -2.424  11.608
  247    H    GLU  41           HN       GLU  41  16.815  -2.849  15.385
  248    HA   GLU  41           HA       GLU  41  14.201  -1.609  15.117
  249   1HB   GLU  41          2HB       GLU  41  14.162  -4.440  16.023
  250   2HB   GLU  41          3HB       GLU  41  13.047  -3.586  14.975
  251   1HG   GLU  41          2HG       GLU  41  15.135  -3.613  13.287
  252   2HG   GLU  41          3HG       GLU  41  15.629  -4.980  14.267
  253    H    TRP  42           HN       TRP  42  16.511  -1.017  16.848
  254    HA   TRP  42           HA       TRP  42  16.421  -2.169  19.333
  255   1HB   TRP  42          2HB       TRP  42  18.164  -0.668  18.760
  256   2HB   TRP  42          3HB       TRP  42  17.044   0.645  18.451
  257    HD1  TRP  42           HD1      TRP  42  16.912   2.347  20.422
  258    HE1  TRP  42           HE1      TRP  42  17.354   2.408  23.023
  259    HE3  TRP  42           HE3      TRP  42  18.041  -2.590  20.876
  260    HZ2  TRP  42           HZ2      TRP  42  18.109   0.429  24.935
  261    HZ3  TRP  42           HZ3      TRP  42  18.619  -3.445  23.145
  262    HH2  TRP  42           HH2      TRP  42  18.665  -2.023  25.132
  263    H    GLY  43           HN       GLY  43  15.168   1.181  19.033
  264   1HA   GLY  43          1HA       GLY  43  13.127   0.665  20.973
  265   2HA   GLY  43          2HA       GLY  43  13.440   2.162  20.118
  266    H    CYS  44           HN       CYS  44  12.486  -1.215  19.134
  267    HA   CYS  44           HA       CYS  44  10.025  -0.149  18.068
  268   1HB   CYS  44          2HB       CYS  44  11.526   0.180  16.196
  269   2HB   CYS  44          3HB       CYS  44  12.088  -1.476  16.300
  270    H    GLY  45           HN       GLY  45  12.316  -2.942  18.394
  271   1HA   GLY  45          1HA       GLY  45  10.550  -5.041  18.132
  272   2HA   GLY  45          2HA       GLY  45  11.998  -5.046  19.118
  273    H    THR  46           HN       THR  46   8.686  -5.512  19.203
  274    HA   THR  46           HA       THR  46   8.021  -4.232  21.648
  275    HB   THR  46           HB       THR  46   6.019  -5.802  21.437
  276    HG1  THR  46           HG1      THR  46   7.417  -7.482  20.388
  277   1HG2  THR  46          1HG2      THR  46   5.519  -3.897  20.160
  278   2HG2  THR  46          2HG2      THR  46   6.991  -4.054  19.171
  279   3HG2  THR  46          3HG2      THR  46   5.595  -5.115  18.864
  280    H    SER  47           HN       SER  47   9.630  -7.265  20.798
  281    HA   SER  47           HA       SER  47  10.503  -8.844  22.003
  282   1HB   SER  47          2HB       SER  47  11.795  -7.031  23.032
  283   2HB   SER  47          3HB       SER  47  10.506  -6.702  24.172
  284    HG   SER  47           HG       SER  47  12.065  -7.972  25.232
  Start of MODEL   14
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   1.766  -0.847  -1.858
    3   2HA   GLY   1          2HA       GLY   1   1.844   0.903  -1.812
    4    H    SER   2           HN       SER   2   3.731   1.978  -1.015
    5    HA   SER   2           HA       SER   2   5.999   0.167  -0.808
    6   1HB   SER   2          2HB       SER   2   6.121   1.770  -2.672
    7   2HB   SER   2          3HB       SER   2   5.851   3.114  -1.580
    8    HG   SER   2           HG       SER   2   7.945   1.755  -0.578
    9    H    SER   3           HN       SER   3   4.376   3.044   0.636
   10    HA   SER   3           HA       SER   3   5.844   2.452   3.076
   11   1HB   SER   3          2HB       SER   3   5.580   5.095   1.644
   12   2HB   SER   3          3HB       SER   3   5.630   5.099   3.396
   13    HG   SER   3           HG       SER   3   7.695   4.266   3.395
   14    H    ARG   4           HN       ARG   4   3.668   5.239   2.567
   15    HA   ARG   4           HA       ARG   4   1.440   3.759   3.595
   16   1HB   ARG   4          2HB       ARG   4   2.913   5.894   5.158
   17   2HB   ARG   4          3HB       ARG   4   1.173   5.786   5.333
   18   1HG   ARG   4          2HG       ARG   4   1.631   4.217   6.930
   19   2HG   ARG   4          3HG       ARG   4   1.866   3.130   5.576
   20   1HD   ARG   4          2HD       ARG   4   4.348   4.234   5.635
   21   2HD   ARG   4          3HD       ARG   4   3.922   4.465   7.319
   22    HE   ARG   4           HE       ARG   4   4.573   1.952   6.057
   23   1HH1  ARG   4          1HH1      ARG   4   3.505  -0.089   8.656
   24   1HH2  ARG   4          2HH2      ARG   4   2.467   3.335   8.548
   25   2HH2  ARG   4          1HH2      ARG   4   2.350   1.857   9.444
   26    H    CYS   5           HN       CYS   5   1.438   4.640   1.086
   27    HA   CYS   5           HA       CYS   5  -0.638   6.443   0.943
   28   1HB   CYS   5          2HB       CYS   5   0.878   8.175   1.654
   29   2HB   CYS   5          3HB       CYS   5   2.054   7.721   0.436
   30    HA   PRO   6           HA       PRO   6   0.448   3.939  -2.680
   31   1HB   PRO   6          2HB       PRO   6  -1.912   2.577  -2.888
   32   2HB   PRO   6          3HB       PRO   6  -0.522   1.959  -2.018
   33   1HG   PRO   6          2HG       PRO   6  -3.023   3.107  -0.939
   34   2HG   PRO   6          3HG       PRO   6  -1.831   2.113  -0.125
   35   1HD   PRO   6          2HD       PRO   6  -2.169   4.949   0.138
   36   2HD   PRO   6          3HD       PRO   6  -0.906   3.973   0.860
   37    HA   PRO   7           HA       PRO   7  -1.564   6.193  -5.667
   38   1HB   PRO   7          2HB       PRO   7  -1.975   4.489  -7.763
   39   2HB   PRO   7          3HB       PRO   7  -0.425   5.231  -7.422
   40   1HG   PRO   7          2HG       PRO   7  -1.289   2.444  -6.950
   41   2HG   PRO   7          3HG       PRO   7   0.338   3.092  -7.019
   42   1HD   PRO   7          2HD       PRO   7  -1.124   2.372  -4.658
   43   2HD   PRO   7          3HD       PRO   7   0.456   3.127  -4.723
   44    H    GLY   8           HN       GLY   8  -3.478   7.177  -5.668
   45   1HA   GLY   8          1HA       GLY   8  -5.820   5.786  -6.399
   46   2HA   GLY   8          2HA       GLY   8  -5.735   5.886  -4.652
   47    H    GLN   9           HN       GLN   9  -5.636   7.847  -7.677
   48    HA   GLN   9           HA       GLN   9  -6.759  10.022  -6.095
   49   1HB   GLN   9          2HB       GLN   9  -4.237  10.113  -7.178
   50   2HB   GLN   9          3HB       GLN   9  -5.170  10.779  -8.502
   51   1HG   GLN   9          2HG       GLN   9  -6.226  12.415  -6.892
   52   2HG   GLN   9          3HG       GLN   9  -5.206  11.780  -5.615
   53   1HE2  GLN   9          1HE2      GLN   9  -5.317  13.530  -8.638
   54   2HE2  GLN   9          2HE2      GLN   9  -3.751  14.265  -8.557
   55    H    PHE  10           HN       PHE  10  -8.159   7.911  -7.541
   56    HA   PHE  10           HA       PHE  10  -8.888   8.767 -10.111
   57   1HB   PHE  10          2HB       PHE  10 -10.706   7.082  -9.739
   58   2HB   PHE  10          3HB       PHE  10  -9.185   6.461  -9.129
   59    HD1  PHE  10           HD1      PHE  10 -11.601   5.217  -8.225
   60    HD2  PHE  10           HD2      PHE  10  -9.703   8.705  -6.728
   61    HE1  PHE  10           HE1      PHE  10 -12.657   4.830  -5.981
   62    HE2  PHE  10           HE2      PHE  10 -10.760   8.318  -4.484
   63    HZ   PHE  10           HZ       PHE  10 -12.224   6.384  -4.138
   64    H    ARG  11           HN       ARG  11 -11.799   8.580  -9.885
   65    HA   ARG  11           HA       ARG  11 -12.248  11.209  -8.721
   66   1HB   ARG  11          2HB       ARG  11 -12.815  10.159 -11.333
   67   2HB   ARG  11          3HB       ARG  11 -14.364  10.388 -10.547
   68   1HG   ARG  11          2HG       ARG  11 -12.392  12.621 -10.218
   69   2HG   ARG  11          3HG       ARG  11 -13.018  12.388 -11.839
   70   1HD   ARG  11          2HD       ARG  11 -15.381  12.311 -10.690
   71   2HD   ARG  11          3HD       ARG  11 -14.573  13.009  -9.300
   72    HE   ARG  11           HE       ARG  11 -14.288  15.034 -10.481
   73   1HH1  ARG  11          1HH1      ARG  11 -15.355  15.951 -13.657
   74   1HH2  ARG  11          2HH2      ARG  11 -15.432  12.507 -12.685
   75   2HH2  ARG  11          1HH2      ARG  11 -15.772  13.612 -13.974
   76    H    CYS  12           HN       CYS  12 -12.424   8.306  -7.588
   77    HA   CYS  12           HA       CYS  12 -13.646   7.386  -5.993
   78   1HB   CYS  12          2HB       CYS  12 -14.440   9.852  -5.622
   79   2HB   CYS  12          3HB       CYS  12 -15.931   9.296  -6.355
   80    H    SER  13           HN       SER  13 -13.565   6.218  -8.425
   81    HA   SER  13           HA       SER  13 -16.294   5.286  -8.731
   82   1HB   SER  13          2HB       SER  13 -16.375   5.579 -11.044
   83   2HB   SER  13          3HB       SER  13 -15.501   7.017 -10.554
   84    HG   SER  13           HG       SER  13 -14.692   5.139 -12.280
   85    H    GLU  14           HN       GLU  14 -13.333   4.549  -7.718
   86    HA   GLU  14           HA       GLU  14 -13.611   1.851  -7.940
   87   1HB   GLU  14          2HB       GLU  14 -11.602   1.414  -9.548
   88   2HB   GLU  14          3HB       GLU  14 -13.174   1.749 -10.248
   89   1HG   GLU  14          2HG       GLU  14 -12.501   4.202 -10.411
   90   2HG   GLU  14          3HG       GLU  14 -10.895   3.748  -9.875
   91    HE2  GLU  14           HE2      GLU  14 -13.057   3.559 -12.559
   92    HA   PRO  15           HA       PRO  15 -10.562   2.888  -4.943
   93   1HB   PRO  15          2HB       PRO  15 -10.871   0.672  -3.374
   94   2HB   PRO  15          3HB       PRO  15 -11.850   2.115  -3.198
   95   1HG   PRO  15          2HG       PRO  15 -12.583  -0.487  -4.395
   96   2HG   PRO  15          3HG       PRO  15 -13.634   0.796  -3.829
   97   1HD   PRO  15          2HD       PRO  15 -12.989   0.183  -6.556
   98   2HD   PRO  15          3HD       PRO  15 -13.946   1.535  -5.984
   99    HA   PRO  16           HA       PRO  16  -7.421   0.649  -6.880
  100   1HB   PRO  16          2HB       PRO  16  -5.394   2.425  -6.425
  101   2HB   PRO  16          3HB       PRO  16  -6.446   2.508  -7.824
  102   1HG   PRO  16          2HG       PRO  16  -6.445   4.204  -5.403
  103   2HG   PRO  16          3HG       PRO  16  -7.175   4.520  -6.964
  104   1HD   PRO  16          2HD       PRO  16  -8.526   3.693  -4.573
  105   2HD   PRO  16          3HD       PRO  16  -9.237   3.897  -6.161
  106    H    GLY  17           HN       GLY  17  -6.402   2.400  -3.977
  107   1HA   GLY  17          1HA       GLY  17  -5.766  -0.204  -2.768
  108   2HA   GLY  17          2HA       GLY  17  -4.505   1.005  -2.910
  109    H    ALA  18           HN       ALA  18  -7.441   0.029  -1.227
  110    HA   ALA  18           HA       ALA  18  -8.075   2.396   0.074
  111   1HB   ALA  18          1HB       ALA  18  -9.251   0.051  -0.061
  112   2HB   ALA  18          2HB       ALA  18  -8.297  -0.308   1.398
  113   3HB   ALA  18          3HB       ALA  18  -9.450   1.048   1.400
  114    H    HIS  19           HN       HIS  19  -7.058   3.590   1.611
  115    HA   HIS  19           HA       HIS  19  -5.666   2.549   3.736
  116   1HB   HIS  19          2HB       HIS  19  -4.108   2.516   1.315
  117   2HB   HIS  19          3HB       HIS  19  -3.408   3.673   2.430
  118    HD1  HIS  19           HD1      HIS  19  -1.350   2.034   2.714
  119    HD2  HIS  19           HD2      HIS  19  -5.021   0.532   4.081
  120    HE1  HIS  19           HE1      HIS  19  -0.800  -0.004   4.147
  121    H    GLY  20           HN       GLY  20  -7.007   4.199   4.654
  122   1HA   GLY  20          1HA       GLY  20  -7.196   6.826   3.904
  123   2HA   GLY  20          2HA       GLY  20  -7.314   6.240   5.552
  124    H    GLU  21           HN       GLU  21  -4.389   5.124   5.143
  125    HA   GLU  21           HA       GLU  21  -3.055   6.902   6.589
  126   1HB   GLU  21          2HB       GLU  21  -2.408   4.573   5.292
  127   2HB   GLU  21          3HB       GLU  21  -1.425   5.711   4.392
  128   1HG   GLU  21          2HG       GLU  21  -0.205   4.768   6.358
  129   2HG   GLU  21          3HG       GLU  21  -0.354   6.512   6.451
  130    HE2  GLU  21           HE2      GLU  21  -2.580   6.633   8.943
  131    H    CYS  22           HN       CYS  22  -3.642   7.058   3.058
  132    HA   CYS  22           HA       CYS  22  -2.419   9.721   3.110
  133   1HB   CYS  22          2HB       CYS  22  -1.084   8.082   1.815
  134   2HB   CYS  22          3HB       CYS  22  -2.465   7.797   0.775
  135    H    TYR  23           HN       TYR  23  -4.345   7.880   0.652
  136    HA   TYR  23           HA       TYR  23  -6.199  10.108   0.519
  137   1HB   TYR  23          2HB       TYR  23  -5.046   8.080  -1.177
  138   2HB   TYR  23          3HB       TYR  23  -6.749   7.679  -1.075
  139    HD1  TYR  23           HD1      TYR  23  -8.261   8.714  -2.521
  140    HD2  TYR  23           HD2      TYR  23  -4.491  10.589  -1.767
  141    HE1  TYR  23           HE1      TYR  23  -8.774  10.471  -4.286
  142    HE2  TYR  23           HE2      TYR  23  -5.016  12.340  -3.534
  143    HH   TYR  23           HH       TYR  23  -7.969  12.113  -5.474
  144    HA   PRO  24           HA       PRO  24  -9.366   8.115   2.688
  145   1HB   PRO  24          2HB       PRO  24 -11.602   9.228   1.578
  146   2HB   PRO  24          3HB       PRO  24 -10.624  10.042   2.784
  147   1HG   PRO  24          2HG       PRO  24 -10.772  10.539  -0.126
  148   2HG   PRO  24          3HG       PRO  24 -10.150  11.584   1.135
  149   1HD   PRO  24          2HD       PRO  24  -8.611  10.025  -0.717
  150   2HD   PRO  24          3HD       PRO  24  -7.993  10.978   0.618
  151    H    GLN  25           HN       GLN  25  -8.223   6.633   0.502
  152    HA   GLN  25           HA       GLN  25 -10.209   5.576  -1.079
  153   1HB   GLN  25          2HB       GLN  25  -7.609   4.347  -0.069
  154   2HB   GLN  25          3HB       GLN  25  -8.603   3.612  -1.312
  155   1HG   GLN  25          2HG       GLN  25  -7.993   5.154  -2.911
  156   2HG   GLN  25          3HG       GLN  25  -7.992   6.491  -1.777
  157   1HE2  GLN  25          1HE2      GLN  25  -6.151   4.212  -3.479
  158   2HE2  GLN  25          2HE2      GLN  25  -4.586   4.541  -2.812
  159    H    ASP  26           HN       ASP  26  -9.549   5.161   2.322
  160    HA   ASP  26           HA       ASP  26 -10.457   2.599   2.705
  161   1HB   ASP  26          2HB       ASP  26  -9.476   3.583   4.595
  162   2HB   ASP  26          3HB       ASP  26 -10.310   5.107   4.366
  163    HD2  ASP  26           HD2      ASP  26 -11.719   5.428   5.906
  164    H    TRP  27           HN       TRP  27 -12.151   5.782   2.477
  165    HA   TRP  27           HA       TRP  27 -14.641   5.188   3.347
  166   1HB   TRP  27          2HB       TRP  27 -13.596   6.955   1.173
  167   2HB   TRP  27          3HB       TRP  27 -15.328   6.745   1.335
  168    HD1  TRP  27           HD1      TRP  27 -12.323   8.167   3.317
  169    HE1  TRP  27           HE1      TRP  27 -13.129   9.855   5.178
  170    HE3  TRP  27           HE3      TRP  27 -17.293   7.286   2.703
  171    HZ2  TRP  27           HZ2      TRP  27 -15.698  10.615   6.163
  172    HZ3  TRP  27           HZ3      TRP  27 -18.883   8.543   4.155
  173    HH2  TRP  27           HH2      TRP  27 -18.157  10.159   5.838
  174    H    LEU  28           HN       LEU  28 -12.953   4.059   0.422
  175    HA   LEU  28           HA       LEU  28 -15.331   3.006  -0.775
  176   1HB   LEU  28          2HB       LEU  28 -12.396   2.661  -1.396
  177   2HB   LEU  28          3HB       LEU  28 -13.694   1.978  -2.354
  178    HG   LEU  28           HG       LEU  28 -14.438   4.610  -2.278
  179   1HD1  LEU  28          1HD1      LEU  28 -11.523   4.891  -2.830
  180   2HD1  LEU  28          2HD1      LEU  28 -12.707   6.084  -2.242
  181   3HD1  LEU  28          3HD1      LEU  28 -12.048   4.861  -1.129
  182   1HD2  LEU  28          1HD2      LEU  28 -14.087   2.875  -4.195
  183   2HD2  LEU  28          2HD2      LEU  28 -14.028   4.618  -4.549
  184   3HD2  LEU  28          3HD2      LEU  28 -12.517   3.690  -4.393
  185    H    CYS  29           HN       CYS  29 -15.815   0.730  -1.071
  186    HA   CYS  29           HA       CYS  29 -16.298  -1.208  -0.120
  187   1HB   CYS  29          2HB       CYS  29 -14.235  -1.702  -1.368
  188   2HB   CYS  29          3HB       CYS  29 -13.283  -1.380   0.068
  189    H    ASP  30           HN       ASP  30 -17.249   0.043   1.772
  190    HA   ASP  30           HA       ASP  30 -15.737  -0.635   4.165
  191   1HB   ASP  30          2HB       ASP  30 -16.138   1.448   5.156
  192   2HB   ASP  30          3HB       ASP  30 -15.878   1.907   3.485
  193    H    GLY  31           HN       GLY  31 -18.938   0.467   2.811
  194   1HA   GLY  31          1HA       GLY  31 -20.394  -1.756   3.667
  195   2HA   GLY  31          2HA       GLY  31 -20.525  -0.534   4.916
  196    H    HIS  32           HN       HIS  32 -20.461   1.862   3.392
  197    HA   HIS  32           HA       HIS  32 -22.858   1.522   1.739
  198   1HB   HIS  32          2HB       HIS  32 -22.977   2.691   4.100
  199   2HB   HIS  32          3HB       HIS  32 -22.301   4.060   3.241
  200    HD1  HIS  32           HD1      HIS  32 -25.201   1.607   2.621
  201    HD2  HIS  32           HD2      HIS  32 -24.264   5.682   2.287
  202    HE1  HIS  32           HE1      HIS  32 -27.313   2.759   1.772
  203    HA   PRO  33           HA       PRO  33 -20.288   3.332  -1.272
  204   1HB   PRO  33          2HB       PRO  33 -22.091   3.404  -3.324
  205   2HB   PRO  33          3HB       PRO  33 -21.150   1.980  -2.924
  206   1HG   PRO  33          2HG       PRO  33 -24.009   2.520  -2.399
  207   2HG   PRO  33          3HG       PRO  33 -23.164   0.985  -2.401
  208   1HD   PRO  33          2HD       PRO  33 -23.993   2.485  -0.101
  209   2HD   PRO  33          3HD       PRO  33 -23.047   1.009  -0.105
  210    H    ASP  34           HN       ASP  34 -19.569   5.349  -1.050
  211    HA   ASP  34           HA       ASP  34 -21.658   7.350  -1.410
  212   1HB   ASP  34          2HB       ASP  34 -19.721   8.647   0.082
  213   2HB   ASP  34          3HB       ASP  34 -21.199   7.969   0.734
  214    H    CYS  35           HN       CYS  35 -20.418   6.566  -3.676
  215    HA   CYS  35           HA       CYS  35 -18.175   8.420  -4.019
  216   1HB   CYS  35          2HB       CYS  35 -18.548   5.647  -4.814
  217   2HB   CYS  35          3HB       CYS  35 -18.174   6.668  -6.189
  218    H    ASP  36           HN       ASP  36 -18.208   8.485  -6.859
  219    HA   ASP  36           HA       ASP  36 -19.813  10.475  -7.464
  220   1HB   ASP  36          2HB       ASP  36 -18.110   9.303  -8.962
  221   2HB   ASP  36          3HB       ASP  36 -19.344   8.121  -9.353
  222    HD2  ASP  36           HD2      ASP  36 -20.992   8.780 -10.653
  223    H    ASP  37           HN       ASP  37 -20.628   6.947  -7.865
  224    HA   ASP  37           HA       ASP  37 -23.431   7.754  -7.880
  225   1HB   ASP  37          2HB       ASP  37 -22.164   6.585  -9.991
  226   2HB   ASP  37          3HB       ASP  37 -22.602   5.138  -9.106
  227    HD2  ASP  37           HD2      ASP  37 -26.016   5.892  -9.241
  228    H    GLY  38           HN       GLY  38 -21.010   5.120  -7.230
  229   1HA   GLY  38          1HA       GLY  38 -21.206   4.434  -4.776
  230   2HA   GLY  38          2HA       GLY  38 -22.837   3.972  -5.220
  231    H    ARG  39           HN       ARG  39 -19.399   3.524  -6.309
  232    HA   ARG  39           HA       ARG  39 -20.068   0.731  -6.682
  233   1HB   ARG  39          2HB       ARG  39 -18.565   0.781  -8.781
  234   2HB   ARG  39          3HB       ARG  39 -20.141   1.528  -8.947
  235   1HG   ARG  39          2HG       ARG  39 -19.112   3.773  -8.486
  236   2HG   ARG  39          3HG       ARG  39 -17.537   3.015  -8.357
  237   1HD   ARG  39          2HD       ARG  39 -17.505   3.688 -10.599
  238   2HD   ARG  39          3HD       ARG  39 -18.102   2.049 -10.768
  239    HE   ARG  39           HE       ARG  39 -20.377   3.686 -10.385
  240   1HH1  ARG  39          1HH1      ARG  39 -21.044   4.539 -13.685
  241   1HH2  ARG  39          2HH2      ARG  39 -17.797   3.328 -12.787
  242   2HH2  ARG  39          1HH2      ARG  39 -18.773   3.894 -14.102
  243    H    ASP  40           HN       ASP  40 -18.428   2.790  -4.870
  244    HA   ASP  40           HA       ASP  40 -15.756   1.971  -5.235
  245   1HB   ASP  40          2HB       ASP  40 -15.563   3.000  -2.839
  246   2HB   ASP  40          3HB       ASP  40 -15.977   4.061  -4.172
  247    H    GLU  41           HN       GLU  41 -18.479   0.322  -4.194
  248    HA   GLU  41           HA       GLU  41 -16.877  -1.624  -2.852
  249   1HB   GLU  41          2HB       GLU  41 -18.134  -1.693  -0.782
  250   2HB   GLU  41          3HB       GLU  41 -17.565  -0.051  -1.008
  251   1HG   GLU  41          2HG       GLU  41 -19.913   0.290  -2.220
  252   2HG   GLU  41          3HG       GLU  41 -20.372  -1.142  -1.319
  253    H    TRP  42           HN       TRP  42 -18.505  -1.257  -5.353
  254    HA   TRP  42           HA       TRP  42 -20.980  -2.410  -5.260
  255   1HB   TRP  42          2HB       TRP  42 -19.127  -1.659  -7.219
  256   2HB   TRP  42          3HB       TRP  42 -19.460  -3.349  -7.541
  257    HD1  TRP  42           HD1      TRP  42 -22.277  -1.123  -6.145
  258    HE1  TRP  42           HE1      TRP  42 -24.199  -0.784  -7.921
  259    HE3  TRP  42           HE3      TRP  42 -19.812  -3.323 -10.011
  260    HZ2  TRP  42           HZ2      TRP  42 -24.467  -1.459 -10.681
  261    HZ3  TRP  42           HZ3      TRP  42 -20.975  -3.442 -12.212
  262    HH2  TRP  42           HH2      TRP  42 -23.223  -2.555 -12.581
  263    H    GLY  43           HN       GLY  43 -18.153  -4.310  -6.479
  264   1HA   GLY  43          1HA       GLY  43 -19.318  -6.753  -5.500
  265   2HA   GLY  43          2HA       GLY  43 -17.818  -6.555  -6.385
  266    H    CYS  44           HN       CYS  44 -18.943  -5.083  -3.261
  267    HA   CYS  44           HA       CYS  44 -16.633  -6.382  -2.008
  268   1HB   CYS  44          2HB       CYS  44 -16.113  -4.060  -2.231
  269   2HB   CYS  44          3HB       CYS  44 -17.681  -3.577  -1.615
  270    H    GLY  45           HN       GLY  45 -19.967  -5.025  -1.716
  271   1HA   GLY  45          1HA       GLY  45 -20.614  -5.630   0.864
  272   2HA   GLY  45          2HA       GLY  45 -21.727  -5.711  -0.488
  273    H    THR  46           HN       THR  46 -21.364  -7.816  -1.950
  274    HA   THR  46           HA       THR  46 -21.911 -10.003  -1.915
  275    HB   THR  46           HB       THR  46 -19.900 -11.356  -1.461
  276    HG1  THR  46           HG1      THR  46 -18.867 -10.694   0.380
  277   1HG2  THR  46          1HG2      THR  46 -19.701  -8.727  -2.790
  278   2HG2  THR  46          2HG2      THR  46 -18.146  -9.249  -2.099
  279   3HG2  THR  46          3HG2      THR  46 -18.991 -10.285  -3.274
  280    H    SER  47           HN       SER  47 -23.779  -9.583  -0.462
  281    HA   SER  47           HA       SER  47 -23.272 -10.864   2.110
  282   1HB   SER  47          2HB       SER  47 -24.346  -8.326   1.636
  283   2HB   SER  47          3HB       SER  47 -25.773  -9.309   1.901
  284    HG   SER  47           HG       SER  47 -25.112  -9.814   3.964
  Start of MODEL   15
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   2.637  -0.928  -1.335
    3   2HA   GLY   1          2HA       GLY   1   1.383   0.036  -2.088
    4    H    SER   2           HN       SER   2   3.527   0.745  -3.257
    5    HA   SER   2           HA       SER   2   5.499   2.140  -2.150
    6   1HB   SER   2          2HB       SER   2   4.036   2.324  -4.752
    7   2HB   SER   2          3HB       SER   2   5.072   3.684  -4.364
    8    HG   SER   2           HG       SER   2   6.126   1.052  -4.007
    9    H    SER   3           HN       SER   3   5.880   4.627  -2.159
   10    HA   SER   3           HA       SER   3   4.305   5.797  -0.315
   11   1HB   SER   3          2HB       SER   3   6.296   6.745  -2.318
   12   2HB   SER   3          3HB       SER   3   5.237   7.993  -1.692
   13    HG   SER   3           HG       SER   3   7.406   7.059  -0.514
   14    H    ARG   4           HN       ARG   4   3.750   5.450  -3.782
   15    HA   ARG   4           HA       ARG   4   1.431   7.187  -3.495
   16   1HB   ARG   4          2HB       ARG   4   3.498   7.037  -5.542
   17   2HB   ARG   4          3HB       ARG   4   1.948   6.667  -6.272
   18   1HG   ARG   4          2HG       ARG   4   1.068   8.783  -5.837
   19   2HG   ARG   4          3HG       ARG   4   2.028   9.009  -4.388
   20   1HD   ARG   4          2HD       ARG   4   4.093   9.117  -5.984
   21   2HD   ARG   4          3HD       ARG   4   2.930   9.294  -7.283
   22    HE   ARG   4           HE       ARG   4   2.444  11.471  -6.543
   23   1HH1  ARG   4          1HH1      ARG   4   3.620  13.278  -3.820
   24   1HH2  ARG   4          2HH2      ARG   4   4.278   9.767  -4.036
   25   2HH2  ARG   4          1HH2      ARG   4   4.519  11.186  -3.073
   26    H    CYS   5           HN       CYS   5   0.519   5.077  -2.498
   27    HA   CYS   5           HA       CYS   5  -1.208   3.886  -4.282
   28   1HB   CYS   5          2HB       CYS   5   0.589   2.711  -5.301
   29   2HB   CYS   5          3HB       CYS   5   1.268   2.246  -3.754
   30    HA   PRO   6           HA       PRO   6  -1.889   3.480   0.191
   31   1HB   PRO   6          2HB       PRO   6  -4.261   4.833   0.317
   32   2HB   PRO   6          3HB       PRO   6  -2.708   5.591   0.609
   33   1HG   PRO   6          2HG       PRO   6  -4.454   5.796  -1.768
   34   2HG   PRO   6          3HG       PRO   6  -3.141   6.848  -1.276
   35   1HD   PRO   6          2HD       PRO   6  -3.067   4.863  -3.346
   36   2HD   PRO   6          3HD       PRO   6  -1.724   5.834  -2.776
   37    HA   PRO   7           HA       PRO   7  -4.648   0.255   0.088
   38   1HB   PRO   7          2HB       PRO   7  -5.910   0.294   2.511
   39   2HB   PRO   7          3HB       PRO   7  -4.293  -0.341   2.283
   40   1HG   PRO   7          2HG       PRO   7  -5.124   2.218   3.508
   41   2HG   PRO   7          3HG       PRO   7  -3.591   1.381   3.647
   42   1HD   PRO   7          2HD       PRO   7  -4.147   3.687   2.034
   43   2HD   PRO   7          3HD       PRO   7  -2.648   2.780   2.085
   44    H    GLY   8           HN       GLY   8  -6.601  -0.432  -0.698
   45   1HA   GLY   8          1HA       GLY   8  -8.999   0.909  -0.161
   46   2HA   GLY   8          2HA       GLY   8  -8.314   1.600  -1.618
   47    H    GLN   9           HN       GLN   9  -9.393  -1.464  -0.074
   48    HA   GLN   9           HA       GLN   9  -9.862  -2.459  -2.773
   49   1HB   GLN   9          2HB       GLN   9  -9.338  -4.760  -1.929
   50   2HB   GLN   9          3HB       GLN   9  -7.953  -3.687  -1.894
   51   1HG   GLN   9          2HG       GLN   9  -9.485  -3.520   0.607
   52   2HG   GLN   9          3HG       GLN   9  -8.998  -5.170   0.274
   53   1HE2  GLN   9          1HE2      GLN   9  -8.022  -2.003   1.159
   54   2HE2  GLN   9          2HE2      GLN   9  -6.333  -2.295   1.409
   55    H    PHE  10           HN       PHE  10 -11.640  -0.953  -0.968
   56    HA   PHE  10           HA       PHE  10 -13.335  -2.700   0.423
   57   1HB   PHE  10          2HB       PHE  10 -14.806  -0.672   0.408
   58   2HB   PHE  10          3HB       PHE  10 -13.146  -0.198   0.708
   59    HD1  PHE  10           HD1      PHE  10 -12.780  -0.918  -2.517
   60    HD2  PHE  10           HD2      PHE  10 -14.993   1.820  -0.149
   61    HE1  PHE  10           HE1      PHE  10 -12.883   0.674  -4.455
   62    HE2  PHE  10           HE2      PHE  10 -15.097   3.412  -2.087
   63    HZ   PHE  10           HZ       PHE  10 -14.040   2.820  -4.216
   64    H    ARG  11           HN       ARG  11 -15.923  -1.772  -0.592
   65    HA   ARG  11           HA       ARG  11 -15.978  -3.396  -3.007
   66   1HB   ARG  11          2HB       ARG  11 -17.469  -3.581  -0.553
   67   2HB   ARG  11          3HB       ARG  11 -18.604  -3.094  -1.796
   68   1HG   ARG  11          2HG       ARG  11 -16.676  -5.311  -2.468
   69   2HG   ARG  11          3HG       ARG  11 -17.982  -5.685  -1.360
   70   1HD   ARG  11          2HD       ARG  11 -19.669  -5.164  -2.976
   71   2HD   ARG  11          3HD       ARG  11 -18.557  -4.257  -3.982
   72    HE   ARG  11           HE       ARG  11 -17.904  -6.254  -5.004
   73   1HH1  ARG  11          1HH1      ARG  11 -18.478  -9.588  -4.216
   74   1HH2  ARG  11          2HH2      ARG  11 -19.442  -7.029  -1.907
   75   2HH2  ARG  11          1HH2      ARG  11 -19.411  -8.739  -2.178
   76    H    CYS  12           HN       CYS  12 -15.606  -0.352  -2.501
   77    HA   CYS  12           HA       CYS  12 -16.111   1.449  -3.675
   78   1HB   CYS  12          2HB       CYS  12 -16.737  -0.259  -5.507
   79   2HB   CYS  12          3HB       CYS  12 -18.399   0.067  -5.058
   80    H    SER  13           HN       SER  13 -16.912   1.305  -1.100
   81    HA   SER  13           HA       SER  13 -19.527   2.554  -1.215
   82   1HB   SER  13          2HB       SER  13 -19.988   1.401   1.067
   83   2HB   SER  13          3HB       SER  13 -20.178   0.443  -0.388
   84    HG   SER  13           HG       SER  13 -17.569   0.385   0.629
   85    H    GLU  14           HN       GLU  14 -16.374   3.018  -0.750
   86    HA   GLU  14           HA       GLU  14 -16.625   5.311   0.691
   87   1HB   GLU  14          2HB       GLU  14 -15.379   4.545   2.842
   88   2HB   GLU  14          3HB       GLU  14 -17.102   4.245   2.738
   89   1HG   GLU  14          2HG       GLU  14 -16.593   1.911   1.884
   90   2HG   GLU  14          3HG       GLU  14 -14.888   2.227   2.137
   91    HE2  GLU  14           HE2      GLU  14 -17.116   0.545   3.810
   92    HA   PRO  15           HA       PRO  15 -12.701   5.112  -1.285
   93   1HB   PRO  15          2HB       PRO  15 -12.312   7.806  -1.525
   94   2HB   PRO  15          3HB       PRO  15 -13.200   6.858  -2.701
   95   1HG   PRO  15          2HG       PRO  15 -14.241   8.718  -0.653
   96   2HG   PRO  15          3HG       PRO  15 -15.042   8.101  -2.084
   97   1HD   PRO  15          2HD       PRO  15 -15.463   7.245   0.621
   98   2HD   PRO  15          3HD       PRO  15 -16.176   6.551  -0.821
   99    HA   PRO  16           HA       PRO  16 -10.459   5.468   2.386
  100   1HB   PRO  16          2HB       PRO  16  -8.478   3.693   1.760
  101   2HB   PRO  16          3HB       PRO  16  -9.987   3.219   2.516
  102   1HG   PRO  16          2HG       PRO  16  -9.123   2.853  -0.288
  103   2HG   PRO  16          3HG       PRO  16 -10.406   2.034   0.581
  104   1HD   PRO  16          2HD       PRO  16 -10.710   4.132  -1.350
  105   2HD   PRO  16          3HD       PRO  16 -11.981   3.393  -0.396
  106    H    GLY  17           HN       GLY  17  -8.507   5.075  -0.541
  107   1HA   GLY  17          1HA       GLY  17  -7.310   7.698   0.061
  108   2HA   GLY  17          2HA       GLY  17  -6.281   6.297  -0.160
  109    H    ALA  18           HN       ALA  18  -8.397   8.653  -1.728
  110    HA   ALA  18           HA       ALA  18  -8.482   7.398  -4.259
  111   1HB   ALA  18          1HB       ALA  18 -10.035   9.188  -3.331
  112   2HB   ALA  18          2HB       ALA  18  -8.729  10.360  -3.624
  113   3HB   ALA  18          3HB       ALA  18  -9.448   9.471  -4.988
  114    H    HIS  19           HN       HIS  19  -6.882   7.164  -5.735
  115    HA   HIS  19           HA       HIS  19  -5.139   9.162  -6.454
  116   1HB   HIS  19          2HB       HIS  19  -4.356   8.015  -3.993
  117   2HB   HIS  19          3HB       HIS  19  -3.267   7.353  -5.196
  118    HD1  HIS  19           HD1      HIS  19  -1.221   8.722  -4.448
  119    HD2  HIS  19           HD2      HIS  19  -4.529  11.082  -5.488
  120    HE1  HIS  19           HE1      HIS  19  -0.375  11.126  -4.564
  121    H    GLY  20           HN       GLY  20  -5.884   8.313  -8.468
  122   1HA   GLY  20          1HA       GLY  20  -5.992   5.779  -9.369
  123   2HA   GLY  20          2HA       GLY  20  -5.474   7.131 -10.355
  124    H    GLU  21           HN       GLU  21  -3.074   7.555  -8.439
  125    HA   GLU  21           HA       GLU  21  -1.137   6.492  -9.900
  126   1HB   GLU  21          2HB       GLU  21  -1.230   7.910  -7.571
  127   2HB   GLU  21          3HB       GLU  21  -0.627   6.385  -6.955
  128   1HG   GLU  21          2HG       GLU  21   1.224   7.924  -7.633
  129   2HG   GLU  21          3HG       GLU  21   1.255   6.419  -8.531
  130    HE2  GLU  21           HE2      GLU  21   1.764   8.621 -11.086
  131    H    CYS  22           HN       CYS  22  -3.204   4.770  -7.603
  132    HA   CYS  22           HA       CYS  22  -1.758   2.325  -8.303
  133   1HB   CYS  22          2HB       CYS  22  -1.222   3.002  -5.985
  134   2HB   CYS  22          3HB       CYS  22  -2.928   2.958  -5.586
  135    H    TYR  23           HN       TYR  23  -4.668   2.961  -6.250
  136    HA   TYR  23           HA       TYR  23  -6.200   1.198  -7.969
  137   1HB   TYR  23          2HB       TYR  23  -6.068   2.147  -5.196
  138   2HB   TYR  23          3HB       TYR  23  -7.674   2.480  -5.812
  139    HD1  TYR  23           HD1      TYR  23  -9.303   0.797  -5.800
  140    HD2  TYR  23           HD2      TYR  23  -5.176  -0.293  -5.517
  141    HE1  TYR  23           HE1      TYR  23  -9.964  -1.619  -5.366
  142    HE2  TYR  23           HE2      TYR  23  -5.851  -2.706  -5.084
  143    HH   TYR  23           HH       TYR  23  -8.938  -3.585  -4.218
  144    HA   PRO  24           HA       PRO  24  -8.475   4.335  -9.888
  145   1HB   PRO  24          2HB       PRO  24 -10.906   3.153 -10.291
  146   2HB   PRO  24          3HB       PRO  24  -9.511   2.843 -11.304
  147   1HG   PRO  24          2HG       PRO  24 -10.711   1.120  -9.224
  148   2HG   PRO  24          3HG       PRO  24  -9.612   0.678 -10.515
  149   1HD   PRO  24          2HD       PRO  24  -8.954   1.020  -7.744
  150   2HD   PRO  24          3HD       PRO  24  -7.837   0.692  -9.054
  151    H    GLN  25           HN       GLN  25  -8.663   3.905  -6.811
  152    HA   GLN  25           HA       GLN  25 -11.046   4.612  -5.877
  153   1HB   GLN  25          2HB       GLN  25  -8.287   5.586  -5.049
  154   2HB   GLN  25          3HB       GLN  25  -9.720   5.988  -4.123
  155   1HG   GLN  25          2HG       GLN  25 -10.133   3.733  -3.521
  156   2HG   GLN  25          3HG       GLN  25  -9.206   3.096  -4.864
  157   1HE2  GLN  25          1HE2      GLN  25  -6.839   3.919  -4.868
  158   2HE2  GLN  25          2HE2      GLN  25  -5.980   3.768  -3.371
  159    H    ASP  26           HN       ASP  26  -8.926   6.578  -7.895
  160    HA   ASP  26           HA       ASP  26  -9.621   9.088  -7.305
  161   1HB   ASP  26          2HB       ASP  26  -8.168   9.043  -9.094
  162   2HB   ASP  26          3HB       ASP  26  -8.907   7.614  -9.790
  163    HD2  ASP  26           HD2      ASP  26  -8.732  10.893  -9.829
  164    H    TRP  27           HN       TRP  27 -11.429   6.708  -9.369
  165    HA   TRP  27           HA       TRP  27 -13.428   8.169 -10.383
  166   1HB   TRP  27          2HB       TRP  27 -13.491   5.418  -9.155
  167   2HB   TRP  27          3HB       TRP  27 -14.885   6.113  -9.958
  168    HD1  TRP  27           HD1      TRP  27 -11.330   6.648 -11.380
  169    HE1  TRP  27           HE1      TRP  27 -11.060   5.479 -13.730
  170    HE3  TRP  27           HE3      TRP  27 -15.821   4.265 -11.296
  171    HZ2  TRP  27           HZ2      TRP  27 -12.718   3.727 -15.256
  172    HZ3  TRP  27           HZ3      TRP  27 -16.419   2.845 -13.255
  173    HH2  TRP  27           HH2      TRP  27 -14.951   2.557 -15.189
  174    H    LEU  28           HN       LEU  28 -13.120   6.975  -6.982
  175    HA   LEU  28           HA       LEU  28 -15.603   7.957  -6.127
  176   1HB   LEU  28          2HB       LEU  28 -13.058   7.299  -4.644
  177   2HB   LEU  28          3HB       LEU  28 -14.560   7.734  -3.854
  178    HG   LEU  28           HG       LEU  28 -15.384   5.701  -5.508
  179   1HD1  LEU  28          1HD1      LEU  28 -13.845   4.030  -5.754
  180   2HD1  LEU  28          2HD1      LEU  28 -12.780   5.449  -5.903
  181   3HD1  LEU  28          3HD1      LEU  28 -12.870   4.561  -4.362
  182   1HD2  LEU  28          1HD2      LEU  28 -15.697   6.204  -2.977
  183   2HD2  LEU  28          2HD2      LEU  28 -15.823   4.527  -3.562
  184   3HD2  LEU  28          3HD2      LEU  28 -14.332   5.081  -2.762
  185    H    CYS  29           HN       CYS  29 -16.162   9.870  -4.971
  186    HA   CYS  29           HA       CYS  29 -16.211  12.079  -4.863
  187   1HB   CYS  29          2HB       CYS  29 -14.901  11.540  -2.893
  188   2HB   CYS  29          3HB       CYS  29 -13.415  11.590  -3.820
  189    H    ASP  30           HN       ASP  30 -16.316  12.172  -7.301
  190    HA   ASP  30           HA       ASP  30 -13.952  13.555  -8.278
  191   1HB   ASP  30          2HB       ASP  30 -13.804  12.270 -10.195
  192   2HB   ASP  30          3HB       ASP  30 -14.460  11.053  -9.118
  193    H    GLY  31           HN       GLY  31 -17.419  12.628  -8.916
  194   1HA   GLY  31          1HA       GLY  31 -18.398  15.248  -8.962
  195   2HA   GLY  31          2HA       GLY  31 -18.027  14.790 -10.613
  196    H    HIS  32           HN       HIS  32 -18.603  12.025 -10.621
  197    HA   HIS  32           HA       HIS  32 -21.431  12.004  -9.859
  198   1HB   HIS  32          2HB       HIS  32 -20.218  11.764 -12.492
  199   2HB   HIS  32          3HB       HIS  32 -21.159  10.339 -12.099
  200    HD1  HIS  32           HD1      HIS  32 -21.662  14.146 -11.905
  201    HD2  HIS  32           HD2      HIS  32 -23.787  10.630 -12.751
  202    HE1  HIS  32           HE1      HIS  32 -24.011  14.876 -12.583
  203    HA   PRO  33           HA       PRO  33 -20.292   8.307  -7.902
  204   1HB   PRO  33          2HB       PRO  33 -22.772   7.358  -7.257
  205   2HB   PRO  33          3HB       PRO  33 -21.934   8.570  -6.310
  206   1HG   PRO  33          2HG       PRO  33 -24.208   8.916  -8.166
  207   2HG   PRO  33          3HG       PRO  33 -23.640  10.000  -6.912
  208   1HD   PRO  33          2HD       PRO  33 -23.221  10.273  -9.736
  209   2HD   PRO  33          3HD       PRO  33 -22.556  11.292  -8.475
  210    H    ASP  34           HN       ASP  34 -19.890   6.134  -8.241
  211    HA   ASP  34           HA       ASP  34 -21.407   5.013 -10.430
  212   1HB   ASP  34          2HB       ASP  34 -19.056   4.068 -11.225
  213   2HB   ASP  34          3HB       ASP  34 -19.603   5.645 -11.760
  214    H    CYS  35           HN       CYS  35 -21.153   4.681  -7.426
  215    HA   CYS  35           HA       CYS  35 -19.827   2.098  -7.245
  216   1HB   CYS  35          2HB       CYS  35 -20.682   4.165  -5.259
  217   2HB   CYS  35          3HB       CYS  35 -20.554   2.497  -4.739
  218    H    ASP  36           HN       ASP  36 -21.320   0.813  -5.294
  219    HA   ASP  36           HA       ASP  36 -23.213  -0.488  -6.562
  220   1HB   ASP  36          2HB       ASP  36 -22.481  -0.069  -3.825
  221   2HB   ASP  36          3HB       ASP  36 -24.229   0.038  -3.884
  222    HD2  ASP  36           HD2      ASP  36 -23.061  -2.631  -6.087
  223    H    ASP  37           HN       ASP  37 -23.748   2.504  -4.552
  224    HA   ASP  37           HA       ASP  37 -26.250   2.852  -6.011
  225   1HB   ASP  37          2HB       ASP  37 -25.975   2.515  -3.282
  226   2HB   ASP  37          3HB       ASP  37 -25.900   4.262  -3.403
  227    HD2  ASP  37           HD2      ASP  37 -28.991   3.787  -2.560
  228    H    GLY  38           HN       GLY  38 -23.606   4.501  -4.122
  229   1HA   GLY  38          1HA       GLY  38 -22.442   6.174  -5.683
  230   2HA   GLY  38          2HA       GLY  38 -24.018   6.939  -5.724
  231    H    ARG  39           HN       ARG  39 -21.477   5.751  -3.430
  232    HA   ARG  39           HA       ARG  39 -22.153   8.051  -1.789
  233   1HB   ARG  39          2HB       ARG  39 -21.587   6.590   0.241
  234   2HB   ARG  39          3HB       ARG  39 -23.087   6.187  -0.571
  235   1HG   ARG  39          2HG       ARG  39 -21.777   4.433  -1.910
  236   2HG   ARG  39          3HG       ARG  39 -20.409   4.752  -0.862
  237   1HD   ARG  39          2HD       ARG  39 -23.160   3.904   0.165
  238   2HD   ARG  39          3HD       ARG  39 -21.851   2.781  -0.142
  239    HE   ARG  39           HE       ARG  39 -20.625   4.588   1.503
  240   1HH1  ARG  39          1HH1      ARG  39 -21.866   3.896   4.672
  241   1HH2  ARG  39          2HH2      ARG  39 -23.730   2.903   1.782
  242   2HH2  ARG  39          1HH2      ARG  39 -23.714   2.901   3.514
  243    H    ASP  40           HN       ASP  40 -19.958   6.827  -3.826
  244    HA   ASP  40           HA       ASP  40 -17.626   6.805  -2.242
  245   1HB   ASP  40          2HB       ASP  40 -16.554   7.056  -4.634
  246   2HB   ASP  40          3HB       ASP  40 -17.390   5.572  -4.220
  247    H    GLU  41           HN       GLU  41 -19.727   9.266  -3.090
  248    HA   GLU  41           HA       GLU  41 -17.688  11.237  -2.684
  249   1HB   GLU  41          2HB       GLU  41 -18.193  12.558  -4.662
  250   2HB   GLU  41          3HB       GLU  41 -17.749  10.942  -5.173
  251   1HG   GLU  41          2HG       GLU  41 -20.399  10.524  -4.982
  252   2HG   GLU  41          3HG       GLU  41 -20.462  12.263  -5.192
  253    H    TRP  42           HN       TRP  42 -20.106  10.049  -1.317
  254    HA   TRP  42           HA       TRP  42 -22.340  11.616  -1.457
  255   1HB   TRP  42          2HB       TRP  42 -22.644   9.830  -0.102
  256   2HB   TRP  42          3HB       TRP  42 -21.049   9.939   0.614
  257    HD1  TRP  42           HD1      TRP  42 -24.443  11.863   0.863
  258    HE1  TRP  42           HE1      TRP  42 -24.797  12.798   3.305
  259    HE3  TRP  42           HE3      TRP  42 -19.931  10.356   2.660
  260    HZ2  TRP  42           HZ2      TRP  42 -23.187  12.803   5.661
  261    HZ3  TRP  42           HZ3      TRP  42 -19.401  10.866   5.042
  262    HH2  TRP  42           HH2      TRP  42 -20.943  12.045   6.527
  263    H    GLY  43           HN       GLY  43 -20.117  12.000   1.360
  264   1HA   GLY  43          1HA       GLY  43 -20.728  14.803   1.522
  265   2HA   GLY  43          2HA       GLY  43 -19.676  13.870   2.568
  266    H    CYS  44           HN       CYS  44 -19.628  14.440  -1.022
  267    HA   CYS  44           HA       CYS  44 -16.948  15.562  -0.638
  268   1HB   CYS  44          2HB       CYS  44 -16.636  13.423  -1.609
  269   2HB   CYS  44          3HB       CYS  44 -17.944  13.656  -2.752
  270    H    GLY  45           HN       GLY  45 -20.007  15.425  -2.552
  271   1HA   GLY  45          1HA       GLY  45 -19.612  17.375  -4.417
  272   2HA   GLY  45          2HA       GLY  45 -21.141  17.049  -3.625
  273    H    THR  46           HN       THR  46 -18.445  19.243  -3.925
  274    HA   THR  46           HA       THR  46 -19.587  20.906  -1.774
  275    HB   THR  46           HB       THR  46 -17.276  20.063  -1.311
  276    HG1  THR  46           HG1      THR  46 -17.444  22.844  -2.239
  277   1HG2  THR  46          1HG2      THR  46 -15.863  21.766  -3.177
  278   2HG2  THR  46          2HG2      THR  46 -15.686  20.010  -2.949
  279   3HG2  THR  46          3HG2      THR  46 -16.879  20.641  -4.109
  280    H    SER  47           HN       SER  47 -20.049  23.057  -2.172
  281    HA   SER  47           HA       SER  47 -19.499  23.973  -4.863
  282   1HB   SER  47          2HB       SER  47 -22.258  23.971  -3.563
  283   2HB   SER  47          3HB       SER  47 -21.867  24.855  -5.025
  284    HG   SER  47           HG       SER  47 -22.843  22.702  -5.377
  Start of MODEL   16
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   2.257  -1.026  -1.564
    3   2HA   GLY   1          2HA       GLY   1   1.483   0.476  -2.028
    4    H    SER   2           HN       SER   2   4.421  -1.047  -0.920
    5    HA   SER   2           HA       SER   2   6.461  -0.344  -0.695
    6   1HB   SER   2          2HB       SER   2   5.310   1.522  -2.610
    7   2HB   SER   2          3HB       SER   2   6.520   2.342  -1.644
    8    HG   SER   2           HG       SER   2   7.195  -0.244  -2.622
    9    H    SER   3           HN       SER   3   4.065   0.569   1.162
   10    HA   SER   3           HA       SER   3   3.930   1.471   3.137
   11   1HB   SER   3          2HB       SER   3   6.721   1.089   2.873
   12   2HB   SER   3          3HB       SER   3   6.552   2.734   3.453
   13    HG   SER   3           HG       SER   3   4.836   1.398   4.942
   14    H    ARG   4           HN       ARG   4   6.200   3.571   1.204
   15    HA   ARG   4           HA       ARG   4   4.488   5.802   1.916
   16   1HB   ARG   4          2HB       ARG   4   7.395   5.524   1.137
   17   2HB   ARG   4          3HB       ARG   4   6.594   7.037   0.763
   18   1HG   ARG   4          2HG       ARG   4   6.644   7.701   2.937
   19   2HG   ARG   4          3HG       ARG   4   5.932   6.196   3.484
   20   1HD   ARG   4          2HD       ARG   4   8.665   5.679   2.650
   21   2HD   ARG   4          3HD       ARG   4   8.662   7.049   3.743
   22    HE   ARG   4           HE       ARG   4   8.282   4.342   4.513
   23   1HH1  ARG   4          1HH1      ARG   4   6.631   4.856   7.526
   24   1HH2  ARG   4          2HH2      ARG   4   6.769   7.490   5.107
   25   2HH2  ARG   4          1HH2      ARG   4   6.183   7.052   6.677
   26    H    CYS   5           HN       CYS   5   2.900   6.134   0.377
   27    HA   CYS   5           HA       CYS   5   3.532   6.930  -2.185
   28   1HB   CYS   5          2HB       CYS   5   4.171   4.737  -2.790
   29   2HB   CYS   5          3HB       CYS   5   2.792   4.016  -1.985
   30    HA   PRO   6           HA       PRO   6  -0.619   7.697  -0.510
   31   1HB   PRO   6          2HB       PRO   6  -0.523  10.427  -0.555
   32   2HB   PRO   6          3HB       PRO   6  -0.110   9.477   0.859
   33   1HG   PRO   6          2HG       PRO   6   1.689  10.890  -1.013
   34   2HG   PRO   6          3HG       PRO   6   2.026  10.308   0.605
   35   1HD   PRO   6          2HD       PRO   6   2.849   9.097  -1.861
   36   2HD   PRO   6          3HD       PRO   6   3.086   8.455  -0.248
   37    HA   PRO   7           HA       PRO   7  -2.633   8.549  -4.152
   38   1HB   PRO   7          2HB       PRO   7  -4.847  10.003  -3.478
   39   2HB   PRO   7          3HB       PRO   7  -4.740   8.266  -3.267
   40   1HG   PRO   7          2HG       PRO   7  -4.580  10.395  -1.222
   41   2HG   PRO   7          3HG       PRO   7  -4.900   8.686  -1.005
   42   1HD   PRO   7          2HD       PRO   7  -2.434  10.051  -0.475
   43   2HD   PRO   7          3HD       PRO   7  -2.720   8.326  -0.369
   44    H    GLY   8           HN       GLY   8  -2.955   9.904  -5.961
   45   1HA   GLY   8          1HA       GLY   8  -2.880  12.687  -5.786
   46   2HA   GLY   8          2HA       GLY   8  -1.224  12.134  -5.943
   47    H    GLN   9           HN       GLN   9  -4.499  11.945  -7.443
   48    HA   GLN   9           HA       GLN   9  -3.126  11.652  -9.991
   49   1HB   GLN   9          2HB       GLN   9  -4.173   9.463  -9.139
   50   2HB   GLN   9          3HB       GLN   9  -5.737  10.229  -9.338
   51   1HG   GLN   9          2HG       GLN   9  -4.056  10.584 -11.726
   52   2HG   GLN   9          3HG       GLN   9  -4.256   8.888 -11.331
   53   1HE2  GLN   9          1HE2      GLN   9  -5.282   9.978 -13.628
   54   2HE2  GLN   9          2HE2      GLN   9  -7.013   9.985 -13.586
   55    H    PHE  10           HN       PHE  10  -4.382  13.918  -8.346
   56    HA   PHE  10           HA       PHE  10  -6.814  14.610  -9.575
   57   1HB   PHE  10          2HB       PHE  10  -6.297  16.803  -8.478
   58   2HB   PHE  10          3HB       PHE  10  -5.911  15.487  -7.388
   59    HD1  PHE  10           HD1      PHE  10  -4.770  18.047  -6.830
   60    HD2  PHE  10           HD2      PHE  10  -3.365  15.059  -9.495
   61    HE1  PHE  10           HE1      PHE  10  -2.433  18.932  -6.590
   62    HE2  PHE  10           HE2      PHE  10  -1.028  15.943  -9.255
   63    HZ   PHE  10           HZ       PHE  10  -0.590  17.869  -7.806
   64    H    ARG  11           HN       ARG  11  -6.176  17.420 -10.208
   65    HA   ARG  11           HA       ARG  11  -4.849  16.923 -12.752
   66   1HB   ARG  11          2HB       ARG  11  -7.444  17.965 -12.204
   67   2HB   ARG  11          3HB       ARG  11  -6.494  19.350 -12.706
   68   1HG   ARG  11          2HG       ARG  11  -6.164  16.856 -14.342
   69   2HG   ARG  11          3HG       ARG  11  -7.716  17.661 -14.464
   70   1HD   ARG  11          2HD       ARG  11  -5.938  19.803 -14.635
   71   2HD   ARG  11          3HD       ARG  11  -5.060  18.533 -15.462
   72    HE   ARG  11           HE       ARG  11  -6.600  18.655 -17.214
   73   1HH1  ARG  11          1HH1      ARG  11  -9.692  20.209 -17.516
   74   1HH2  ARG  11          2HH2      ARG  11  -8.065  20.101 -14.330
   75   2HH2  ARG  11          1HH2      ARG  11  -9.478  20.647 -15.169
   76    H    CYS  12           HN       CYS  12  -3.835  17.837  -9.968
   77    HA   CYS  12           HA       CYS  12  -2.200  19.145  -9.283
   78   1HB   CYS  12          2HB       CYS  12  -1.312  19.014 -11.602
   79   2HB   CYS  12          3HB       CYS  12  -2.215  20.460 -12.007
   80    H    SER  13           HN       SER  13  -4.621  19.710  -8.335
   81    HA   SER  13           HA       SER  13  -4.633  22.596  -8.318
   82   1HB   SER  13          2HB       SER  13  -7.243  22.441  -8.372
   83   2HB   SER  13          3HB       SER  13  -6.363  22.370  -9.886
   84    HG   SER  13           HG       SER  13  -6.478  19.983  -9.704
   85    H    GLU  14           HN       GLU  14  -4.178  19.886  -6.655
   86    HA   GLU  14           HA       GLU  14  -4.587  20.957  -4.198
   87   1HB   GLU  14          2HB       GLU  14  -6.567  19.443  -3.436
   88   2HB   GLU  14          3HB       GLU  14  -6.938  20.928  -4.290
   89   1HG   GLU  14          2HG       GLU  14  -7.049  19.605  -6.449
   90   2HG   GLU  14          3HG       GLU  14  -6.797  18.137  -5.526
   91    HE2  GLU  14           HE2      GLU  14 -10.328  19.700  -5.905
   92    HA   PRO  15           HA       PRO  15  -2.127  17.299  -4.025
   93   1HB   PRO  15          2HB       PRO  15  -0.562  18.064  -1.919
   94   2HB   PRO  15          3HB       PRO  15  -0.190  18.464  -3.584
   95   1HG   PRO  15          2HG       PRO  15  -1.275  20.208  -1.457
   96   2HG   PRO  15          3HG       PRO  15  -0.509  20.663  -2.966
   97   1HD   PRO  15          2HD       PRO  15  -3.316  20.719  -2.382
   98   2HD   PRO  15          3HD       PRO  15  -2.560  21.064  -3.925
   99    HA   PRO  16           HA       PRO  16  -4.628  15.441  -1.040
  100   1HB   PRO  16          2HB       PRO  16  -4.495  12.890  -2.011
  101   2HB   PRO  16          3HB       PRO  16  -5.686  14.059  -2.547
  102   1HG   PRO  16          2HG       PRO  16  -3.264  13.104  -3.948
  103   2HG   PRO  16          3HG       PRO  16  -4.665  13.923  -4.611
  104   1HD   PRO  16          2HD       PRO  16  -2.093  15.078  -4.082
  105   2HD   PRO  16          3HD       PRO  16  -3.526  15.920  -4.635
  106    H    GLY  17           HN       GLY  17  -1.577  14.060  -2.106
  107   1HA   GLY  17          1HA       GLY  17  -0.715  13.929   0.657
  108   2HA   GLY  17          2HA       GLY  17  -0.947  12.372  -0.113
  109    H    ALA  18           HN       ALA  18   1.074  15.223   0.133
  110    HA   ALA  18           HA       ALA  18   2.594  14.762  -2.221
  111   1HB   ALA  18          1HB       ALA  18   4.007  16.183  -0.117
  112   2HB   ALA  18          2HB       ALA  18   3.384  16.793  -1.669
  113   3HB   ALA  18          3HB       ALA  18   2.326  16.755  -0.238
  114    H    HIS  19           HN       HIS  19   4.279  13.379  -2.568
  115    HA   HIS  19           HA       HIS  19   6.086  12.586  -0.653
  116   1HB   HIS  19          2HB       HIS  19   3.628  11.281  -0.254
  117   2HB   HIS  19          3HB       HIS  19   4.647  10.096  -1.047
  118    HD1  HIS  19           HD1      HIS  19   3.890   9.511   1.813
  119    HD2  HIS  19           HD2      HIS  19   7.290  11.748   0.795
  120    HE1  HIS  19           HE1      HIS  19   5.473   9.353   3.808
  121    H    GLY  20           HN       GLY  20   7.398  13.084  -2.486
  122   1HA   GLY  20          1HA       GLY  20   7.150  12.173  -5.049
  123   2HA   GLY  20          2HA       GLY  20   8.674  12.476  -4.239
  124    H    GLU  21           HN       GLU  21   7.818  10.304  -2.142
  125    HA   GLU  21           HA       GLU  21   9.354   8.291  -3.064
  126   1HB   GLU  21          2HB       GLU  21   8.107   8.765  -0.738
  127   2HB   GLU  21          3HB       GLU  21   6.971   7.585  -1.360
  128   1HG   GLU  21          2HG       GLU  21   9.980   7.169  -1.027
  129   2HG   GLU  21          3HG       GLU  21   8.730   6.481  -0.010
  130    HE2  GLU  21           HE2      GLU  21   9.681   4.682  -3.381
  131    H    CYS  22           HN       CYS  22   6.094   9.127  -4.028
  132    HA   CYS  22           HA       CYS  22   6.090   6.773  -5.749
  133   1HB   CYS  22          2HB       CYS  22   4.617   6.434  -3.712
  134   2HB   CYS  22          3HB       CYS  22   3.605   7.728  -4.323
  135    H    TYR  23           HN       TYR  23   3.766   9.473  -5.031
  136    HA   TYR  23           HA       TYR  23   3.834  10.181  -7.853
  137   1HB   TYR  23          2HB       TYR  23   2.197  10.946  -5.360
  138   2HB   TYR  23          3HB       TYR  23   1.907  11.694  -6.918
  139    HD1  TYR  23           HD1      TYR  23   2.313   9.197  -8.644
  140    HD2  TYR  23           HD2      TYR  23   0.107   9.862  -5.039
  141    HE1  TYR  23           HE1      TYR  23   0.731   7.303  -9.254
  142    HE2  TYR  23           HE2      TYR  23  -1.467   7.965  -5.661
  143    HH   TYR  23           HH       TYR  23  -0.753   5.705  -7.937
  144    HA   PRO  24           HA       PRO  24   6.100  13.810  -7.228
  145   1HB   PRO  24          2HB       PRO  24   5.149  15.440  -9.205
  146   2HB   PRO  24          3HB       PRO  24   6.318  14.166  -9.492
  147   1HG   PRO  24          2HG       PRO  24   3.436  14.217 -10.145
  148   2HG   PRO  24          3HG       PRO  24   4.688  13.171 -10.785
  149   1HD   PRO  24          2HD       PRO  24   2.710  12.481  -8.826
  150   2HD   PRO  24          3HD       PRO  24   4.033  11.474  -9.380
  151    H    GLN  25           HN       GLN  25   3.128  13.514  -6.157
  152    HA   GLN  25           HA       GLN  25   2.054  15.957  -5.916
  153   1HB   GLN  25          2HB       GLN  25   2.229  13.723  -3.854
  154   2HB   GLN  25          3HB       GLN  25   1.205  15.128  -3.639
  155   1HG   GLN  25          2HG       GLN  25   0.986  12.926  -5.705
  156   2HG   GLN  25          3HG       GLN  25  -0.252  13.546  -4.630
  157   1HE2  GLN  25          1HE2      GLN  25   1.430  13.913  -7.619
  158   2HE2  GLN  25          2HE2      GLN  25   0.486  15.195  -8.302
  159    H    ASP  26           HN       ASP  26   5.083  14.830  -4.562
  160    HA   ASP  26           HA       ASP  26   5.320  16.401  -2.354
  161   1HB   ASP  26          2HB       ASP  26   7.132  14.984  -2.582
  162   2HB   ASP  26          3HB       ASP  26   7.174  15.146  -4.326
  163    HD2  ASP  26           HD2      ASP  26   8.375  16.857  -5.149
  164    H    TRP  27           HN       TRP  27   6.051  17.101  -5.839
  165    HA   TRP  27           HA       TRP  27   7.272  19.483  -5.746
  166   1HB   TRP  27          2HB       TRP  27   5.131  18.443  -7.582
  167   2HB   TRP  27          3HB       TRP  27   5.823  20.036  -7.816
  168    HD1  TRP  27           HD1      TRP  27   7.310  16.437  -7.332
  169    HE1  TRP  27           HE1      TRP  27   9.358  16.068  -8.955
  170    HE3  TRP  27           HE3      TRP  27   7.204  21.092  -9.376
  171    HZ2  TRP  27           HZ2      TRP  27  10.674  17.726 -10.868
  172    HZ3  TRP  27           HZ3      TRP  27   8.905  21.636 -11.115
  173    HH2  TRP  27           HH2      TRP  27  10.600  20.041 -11.865
  174    H    LEU  28           HN       LEU  28   3.830  18.750  -5.032
  175    HA   LEU  28           HA       LEU  28   3.150  21.517  -4.745
  176   1HB   LEU  28          2HB       LEU  28   1.610  19.059  -3.906
  177   2HB   LEU  28          3HB       LEU  28   0.983  20.686  -4.081
  178    HG   LEU  28           HG       LEU  28   2.060  20.167  -6.585
  179   1HD1  LEU  28          1HD1      LEU  28   1.300  18.006  -7.294
  180   2HD1  LEU  28          2HD1      LEU  28   2.376  17.793  -5.892
  181   3HD1  LEU  28          3HD1      LEU  28   0.612  17.663  -5.688
  182   1HD2  LEU  28          1HD2      LEU  28   0.083  21.133  -6.916
  183   2HD2  LEU  28          2HD2      LEU  28  -0.630  19.506  -6.805
  184   3HD2  LEU  28          3HD2      LEU  28  -0.553  20.545  -5.361
  185    H    CYS  29           HN       CYS  29   2.591  22.591  -2.754
  186    HA   CYS  29           HA       CYS  29   3.075  23.235  -0.710
  187   1HB   CYS  29          2HB       CYS  29   2.033  20.543  -0.480
  188   2HB   CYS  29          3HB       CYS  29   3.135  20.894   0.836
  189    H    ASP  30           HN       ASP  30   5.313  23.659  -1.703
  190    HA   ASP  30           HA       ASP  30   7.246  22.091  -0.198
  191   1HB   ASP  30          2HB       ASP  30   8.677  21.833  -2.035
  192   2HB   ASP  30          3HB       ASP  30   7.106  21.649  -2.791
  193    H    GLY  31           HN       GLY  31   6.655  25.041  -2.254
  194   1HA   GLY  31          1HA       GLY  31   7.340  26.892  -0.270
  195   2HA   GLY  31          2HA       GLY  31   8.771  26.586  -1.233
  196    H    HIS  32           HN       HIS  32   7.683  26.127  -3.802
  197    HA   HIS  32           HA       HIS  32   6.354  28.690  -4.311
  198   1HB   HIS  32          2HB       HIS  32   7.645  28.187  -6.645
  199   2HB   HIS  32          3HB       HIS  32   8.254  29.221  -5.368
  200    HD1  HIS  32           HD1      HIS  32   9.141  26.300  -7.346
  201    HD2  HIS  32           HD2      HIS  32  10.066  27.724  -3.510
  202    HE1  HIS  32           HE1      HIS  32  11.243  25.056  -6.610
  203    HA   PRO  33           HA       PRO  33   3.343  26.175  -6.166
  204   1HB   PRO  33          2HB       PRO  33   1.797  28.123  -7.300
  205   2HB   PRO  33          3HB       PRO  33   1.671  27.659  -5.614
  206   1HG   PRO  33          2HG       PRO  33   2.910  30.075  -6.784
  207   2HG   PRO  33          3HG       PRO  33   2.399  29.794  -5.132
  208   1HD   PRO  33          2HD       PRO  33   5.089  29.747  -6.127
  209   2HD   PRO  33          3HD       PRO  33   4.566  29.353  -4.502
  210    H    ASP  34           HN       ASP  34   2.649  25.221  -8.118
  211    HA   ASP  34           HA       ASP  34   3.650  26.434 -10.491
  212   1HB   ASP  34          2HB       ASP  34   4.825  24.146 -11.076
  213   2HB   ASP  34          3HB       ASP  34   5.691  25.346 -10.137
  214    H    CYS  35           HN       CYS  35   1.021  25.951  -9.736
  215    HA   CYS  35           HA       CYS  35   0.337  23.529 -11.240
  216   1HB   CYS  35          2HB       CYS  35  -0.567  24.483  -8.626
  217   2HB   CYS  35          3HB       CYS  35  -1.892  24.138  -9.718
  218    H    ASP  36           HN       ASP  36  -2.412  24.076 -11.584
  219    HA   ASP  36           HA       ASP  36  -2.567  25.480 -13.791
  220   1HB   ASP  36          2HB       ASP  36  -4.403  24.353 -12.145
  221   2HB   ASP  36          3HB       ASP  36  -4.766  26.034 -11.809
  222    HD2  ASP  36           HD2      ASP  36  -6.030  26.985 -13.137
  223    H    ASP  37           HN       ASP  37  -3.201  26.874 -10.476
  224    HA   ASP  37           HA       ASP  37  -2.620  29.488 -11.627
  225   1HB   ASP  37          2HB       ASP  37  -4.910  28.760 -10.368
  226   2HB   ASP  37          3HB       ASP  37  -3.972  29.195  -8.953
  227    HD2  ASP  37           HD2      ASP  37  -5.926  30.897  -9.099
  228    H    GLY  38           HN       GLY  38  -2.584  27.672  -8.455
  229   1HA   GLY  38          1HA       GLY  38  -0.049  27.460  -7.801
  230   2HA   GLY  38          2HA       GLY  38  -0.232  29.192  -7.606
  231    H    ARG  39           HN       ARG  39  -2.619  26.542  -6.959
  232    HA   ARG  39           HA       ARG  39  -2.816  27.619  -4.276
  233   1HB   ARG  39          2HB       ARG  39  -4.945  26.032  -4.318
  234   2HB   ARG  39          3HB       ARG  39  -4.996  27.572  -5.153
  235   1HG   ARG  39          2HG       ARG  39  -4.536  26.518  -7.301
  236   2HG   ARG  39          3HG       ARG  39  -4.164  24.985  -6.539
  237   1HD   ARG  39          2HD       ARG  39  -6.347  24.386  -6.699
  238   2HD   ARG  39          3HD       ARG  39  -6.782  25.707  -5.633
  239    HE   ARG  39           HE       ARG  39  -6.328  26.481  -8.444
  240   1HH1  ARG  39          1HH1      ARG  39  -9.670  27.261  -8.979
  241   1HH2  ARG  39          2HH2      ARG  39  -8.709  25.525  -6.001
  242   2HH2  ARG  39          1HH2      ARG  39 -10.051  26.189  -6.870
  243    H    ASP  40           HN       ASP  40  -1.403  25.074  -6.055
  244    HA   ASP  40           HA       ASP  40  -1.823  22.811  -4.718
  245   1HB   ASP  40          2HB       ASP  40   0.542  22.203  -5.257
  246   2HB   ASP  40          3HB       ASP  40  -0.274  22.968  -6.607
  247    H    GLU  41           HN       GLU  41  -0.193  25.753  -3.600
  248    HA   GLU  41           HA       GLU  41   0.122  24.501  -1.009
  249   1HB   GLU  41          2HB       GLU  41   2.374  25.501  -0.714
  250   2HB   GLU  41          3HB       GLU  41   2.350  24.348  -2.034
  251   1HG   GLU  41          2HG       GLU  41   1.817  26.482  -3.526
  252   2HG   GLU  41          3HG       GLU  41   2.476  27.371  -2.168
  253    H    TRP  42           HN       TRP  42  -1.959  26.214  -1.952
  254    HA   TRP  42           HA       TRP  42  -1.600  28.906  -1.627
  255   1HB   TRP  42          2HB       TRP  42  -3.644  27.939  -2.462
  256   2HB   TRP  42          3HB       TRP  42  -3.970  27.170  -0.921
  257    HD1  TRP  42           HD1      TRP  42  -5.042  28.724   1.010
  258    HE1  TRP  42           HE1      TRP  42  -6.132  31.125   1.102
  259    HE3  TRP  42           HE3      TRP  42  -3.369  30.235  -3.548
  260    HZ2  TRP  42           HZ2      TRP  42  -6.172  33.337  -0.700
  261    HZ3  TRP  42           HZ3      TRP  42  -3.979  32.530  -4.307
  262    HH2  TRP  42           HH2      TRP  42  -5.330  34.061  -2.965
  263    H    GLY  43           HN       GLY  43  -3.332  27.072   0.949
  264   1HA   GLY  43          1HA       GLY  43  -2.240  28.802   2.972
  265   2HA   GLY  43          2HA       GLY  43  -3.375  27.483   3.183
  266    H    CYS  44           HN       CYS  44  -0.033  27.585   1.757
  267    HA   CYS  44           HA       CYS  44   0.680  25.533   3.725
  268   1HB   CYS  44          2HB       CYS  44   0.663  25.233   1.017
  269   2HB   CYS  44          3HB       CYS  44   2.315  25.757   1.276
  270    H    GLY  45           HN       GLY  45   0.969  28.776   2.828
  271   1HA   GLY  45          1HA       GLY  45   3.713  29.306   3.066
  272   2HA   GLY  45          2HA       GLY  45   2.399  30.433   3.338
  273    H    THR  46           HN       THR  46   4.729  28.246   4.822
  274    HA   THR  46           HA       THR  46   3.874  29.245   7.456
  275    HB   THR  46           HB       THR  46   3.215  26.829   7.044
  276    HG1  THR  46           HG1      THR  46   3.671  27.018   9.208
  277   1HG2  THR  46          1HG2      THR  46   6.120  26.087   7.348
  278   2HG2  THR  46          2HG2      THR  46   4.792  25.162   6.607
  279   3HG2  THR  46          3HG2      THR  46   5.555  26.496   5.710
  280    H    SER  47           HN       SER  47   5.480  29.872   8.882
  281    HA   SER  47           HA       SER  47   8.072  30.108   7.592
  282   1HB   SER  47          2HB       SER  47   6.444  31.942   9.035
  283   2HB   SER  47          3HB       SER  47   7.812  31.608  10.078
  284    HG   SER  47           HG       SER  47   7.750  32.825   7.497
  Start of MODEL   17
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   2.509  -0.985  -1.412
    3   2HA   GLY   1          2HA       GLY   1   1.399   0.195  -2.079
    4    H    SER   2           HN       SER   2   1.907   2.436  -0.378
    5    HA   SER   2           HA       SER   2   4.476   3.164  -1.450
    6   1HB   SER   2          2HB       SER   2   2.050   4.509  -1.154
    7   2HB   SER   2          3HB       SER   2   3.020   5.192   0.136
    8    HG   SER   2           HG       SER   2   4.014   4.957  -2.567
    9    H    SER   3           HN       SER   3   2.815   3.967   1.688
   10    HA   SER   3           HA       SER   3   5.291   4.180   3.000
   11   1HB   SER   3          2HB       SER   3   2.414   4.104   3.993
   12   2HB   SER   3          3HB       SER   3   3.775   4.321   5.076
   13    HG   SER   3           HG       SER   3   3.349   6.401   4.602
   14    H    ARG   4           HN       ARG   4   6.169   1.992   2.418
   15    HA   ARG   4           HA       ARG   4   4.869  -0.179   3.792
   16   1HB   ARG   4          2HB       ARG   4   6.761   0.112   1.536
   17   2HB   ARG   4          3HB       ARG   4   7.235  -1.169   2.634
   18   1HG   ARG   4          2HG       ARG   4   4.433  -0.894   1.449
   19   2HG   ARG   4          3HG       ARG   4   5.684  -1.916   0.769
   20   1HD   ARG   4          2HD       ARG   4   5.826  -3.146   2.978
   21   2HD   ARG   4          3HD       ARG   4   4.501  -2.169   3.578
   22    HE   ARG   4           HE       ARG   4   3.503  -3.208   1.207
   23   1HH1  ARG   4          1HH1      ARG   4   2.521  -6.408   2.134
   24   1HH2  ARG   4          2HH2      ARG   4   4.937  -4.653   4.107
   25   2HH2  ARG   4          1HH2      ARG   4   4.048  -6.132   3.961
   26    H    CYS   5           HN       CYS   5   6.147  -1.620   5.263
   27    HA   CYS   5           HA       CYS   5   8.701  -1.033   6.121
   28   1HB   CYS   5          2HB       CYS   5   7.857   1.076   6.947
   29   2HB   CYS   5          3HB       CYS   5   6.566   0.272   7.818
   30    HA   PRO   6           HA       PRO   6   6.651  -4.852   7.478
   31   1HB   PRO   6          2HB       PRO   6   8.367  -6.620   6.294
   32   2HB   PRO   6          3HB       PRO   6   6.882  -6.074   5.539
   33   1HG   PRO   6          2HG       PRO   6   9.667  -5.291   4.931
   34   2HG   PRO   6          3HG       PRO   6   8.233  -5.100   3.943
   35   1HD   PRO   6          2HD       PRO   6   9.562  -3.055   5.451
   36   2HD   PRO   6          3HD       PRO   6   8.064  -2.891   4.558
   37    HA   PRO   7           HA       PRO   7   9.213  -5.826  10.723
   38   1HB   PRO   7          2HB       PRO   7   8.892  -8.503  11.166
   39   2HB   PRO   7          3HB       PRO   7   7.731  -7.300  11.688
   40   1HG   PRO   7          2HG       PRO   7   7.549  -9.190   9.422
   41   2HG   PRO   7          3HG       PRO   7   6.265  -8.297  10.213
   42   1HD   PRO   7          2HD       PRO   7   7.466  -7.695   7.678
   43   2HD   PRO   7          3HD       PRO   7   6.264  -6.738   8.522
   44    H    GLY   8           HN       GLY   8  11.350  -5.772  11.001
   45   1HA   GLY   8          1HA       GLY   8  13.007  -7.889  10.228
   46   2HA   GLY   8          2HA       GLY   8  13.022  -6.704   8.937
   47    H    GLN   9           HN       GLN   9  13.596  -7.186  12.456
   48    HA   GLN   9           HA       GLN   9  15.411  -4.909  12.298
   49   1HB   GLN   9          2HB       GLN   9  13.372  -4.340  13.619
   50   2HB   GLN   9          3HB       GLN   9  13.681  -5.697  14.684
   51   1HG   GLN   9          2HG       GLN   9  15.602  -4.696  15.633
   52   2HG   GLN   9          3HG       GLN   9  15.869  -3.651  14.252
   53   1HE2  GLN   9          1HE2      GLN   9  16.083  -2.052  15.985
   54   2HE2  GLN   9          2HE2      GLN   9  14.675  -1.223  16.559
   55    H    PHE  10           HN       PHE  10  16.060  -7.663  11.734
   56    HA   PHE  10           HA       PHE  10  17.071  -8.946  14.029
   57   1HB   PHE  10          2HB       PHE  10  18.154 -10.372  12.282
   58   2HB   PHE  10          3HB       PHE  10  16.507 -10.010  11.806
   59    HD1  PHE  10           HD1      PHE  10  17.772  -6.985  11.238
   60    HD2  PHE  10           HD2      PHE  10  18.313 -10.936   9.786
   61    HE1  PHE  10           HE1      PHE  10  18.603  -6.069   9.054
   62    HE2  PHE  10           HE2      PHE  10  19.145 -10.019   7.603
   63    HZ   PHE  10           HZ       PHE  10  19.280  -7.597   7.262
   64    H    ARG  11           HN       ARG  11  19.721  -9.674  13.038
   65    HA   ARG  11           HA       ARG  11  21.047  -7.149  13.617
   66   1HB   ARG  11          2HB       ARG  11  21.199  -9.603  14.981
   67   2HB   ARG  11          3HB       ARG  11  22.655  -9.605  14.007
   68   1HG   ARG  11          2HG       ARG  11  22.537  -6.980  15.024
   69   2HG   ARG  11          3HG       ARG  11  21.990  -7.968  16.363
   70   1HD   ARG  11          2HD       ARG  11  24.065  -9.482  15.838
   71   2HD   ARG  11          3HD       ARG  11  24.640  -8.134  14.877
   72    HE   ARG  11           HE       ARG  11  23.803  -7.345  17.571
   73   1HH1  ARG  11          1HH1      ARG  11  27.043  -6.853  18.722
   74   1HH2  ARG  11          2HH2      ARG  11  26.501  -8.574  15.631
   75   2HH2  ARG  11          1HH2      ARG  11  27.713  -8.010  16.733
   76    H    CYS  12           HN       CYS  12  20.174  -8.571  10.977
   77    HA   CYS  12           HA       CYS  12  20.972  -8.518   8.916
   78   1HB   CYS  12          2HB       CYS  12  22.539  -6.695   9.830
   79   2HB   CYS  12          3HB       CYS  12  23.765  -7.946   9.892
   80    H    SER  13           HN       SER  13  20.493 -10.901  10.075
   81    HA   SER  13           HA       SER  13  22.711 -12.498   9.112
   82   1HB   SER  13          2HB       SER  13  22.906 -13.806  11.036
   83   2HB   SER  13          3HB       SER  13  22.611 -12.224  11.729
   84    HG   SER  13           HG       SER  13  20.390 -12.775  12.028
   85    H    GLU  14           HN       GLU  14  19.668 -11.575   8.609
   86    HA   GLU  14           HA       GLU  14  18.960 -13.705   7.078
   87   1HB   GLU  14          2HB       GLU  14  16.971 -14.569   8.518
   88   2HB   GLU  14          3HB       GLU  14  18.575 -15.177   8.875
   89   1HG   GLU  14          2HG       GLU  14  18.807 -13.415  10.671
   90   2HG   GLU  14          3HG       GLU  14  17.164 -12.900  10.345
   91    HE2  GLU  14           HE2      GLU  14  16.164 -13.638  12.140
   92    HA   PRO  15           HA       PRO  15  16.426 -10.206   6.229
   93   1HB   PRO  15          2HB       PRO  15  15.924 -10.792   3.608
   94   2HB   PRO  15          3HB       PRO  15  17.339  -9.905   4.137
   95   1HG   PRO  15          2HG       PRO  15  17.143 -12.712   3.232
   96   2HG   PRO  15          3HG       PRO  15  18.565 -11.695   3.354
   97   1HD   PRO  15          2HD       PRO  15  17.790 -13.785   5.160
   98   2HD   PRO  15          3HD       PRO  15  19.147 -12.691   5.342
   99    HA   PRO  16           HA       PRO  16  12.736 -12.294   7.040
  100   1HB   PRO  16          2HB       PRO  16  11.446 -10.244   8.306
  101   2HB   PRO  16          3HB       PRO  16  12.484 -11.384   9.140
  102   1HG   PRO  16          2HG       PRO  16  13.033  -8.575   8.401
  103   2HG   PRO  16          3HG       PRO  16  13.853  -9.580   9.578
  104   1HD   PRO  16          2HD       PRO  16  14.793  -8.892   6.957
  105   2HD   PRO  16          3HD       PRO  16  15.557  -9.990   8.090
  106    H    GLY  17           HN       GLY  17  12.328  -8.871   6.238
  107   1HA   GLY  17          1HA       GLY  17  10.830  -9.720   3.857
  108   2HA   GLY  17          2HA       GLY  17  10.043  -8.685   5.031
  109    H    ALA  18           HN       ALA  18  12.651  -8.929   2.617
  110    HA   ALA  18           HA       ALA  18  13.967  -6.570   2.957
  111   1HB   ALA  18          1HB       ALA  18  13.733  -8.589   1.002
  112   2HB   ALA  18          2HB       ALA  18  13.408  -7.063   0.145
  113   3HB   ALA  18          3HB       ALA  18  14.927  -7.270   1.048
  114    H    HIS  19           HN       HIS  19  13.564  -4.403   2.630
  115    HA   HIS  19           HA       HIS  19  11.673  -3.383   0.916
  116   1HB   HIS  19          2HB       HIS  19  10.469  -4.473   3.266
  117   2HB   HIS  19          3HB       HIS  19  10.342  -2.728   3.363
  118    HD1  HIS  19           HD1      HIS  19   9.530  -1.688   0.780
  119    HD2  HIS  19           HD2      HIS  19   8.308  -5.514   1.989
  120    HE1  HIS  19           HE1      HIS  19   7.472  -2.256  -0.618
  121    H    GLY  20           HN       GLY  20  13.503  -2.020   0.583
  122   1HA   GLY  20          1HA       GLY  20  14.877  -0.644   2.577
  123   2HA   GLY  20          2HA       GLY  20  14.749  -0.177   0.893
  124    H    GLU  21           HN       GLU  21  11.587  -0.319   1.571
  125    HA   GLU  21           HA       GLU  21  11.232   2.393   1.643
  126   1HB   GLU  21          2HB       GLU  21   9.604   0.315   1.176
  127   2HB   GLU  21          3HB       GLU  21   9.136   0.591   2.842
  128   1HG   GLU  21          2HG       GLU  21   7.703   1.863   1.229
  129   2HG   GLU  21          3HG       GLU  21   8.531   2.917   2.358
  130    HE2  GLU  21           HE2      GLU  21   9.497   4.631   1.261
  131    H    CYS  22           HN       CYS  22  11.740   0.058   4.267
  132    HA   CYS  22           HA       CYS  22  11.524   2.294   6.146
  133   1HB   CYS  22          2HB       CYS  22   9.660   0.626   6.351
  134   2HB   CYS  22          3HB       CYS  22  10.853  -0.586   6.772
  135    H    TYR  23           HN       TYR  23  12.608  -1.166   6.358
  136    HA   TYR  23           HA       TYR  23  15.109  -0.255   7.508
  137   1HB   TYR  23          2HB       TYR  23  13.433  -2.758   7.185
  138   2HB   TYR  23          3HB       TYR  23  15.159  -3.023   7.326
  139    HD1  TYR  23           HD1      TYR  23  16.270  -2.854   9.431
  140    HD2  TYR  23           HD2      TYR  23  12.205  -1.573   9.053
  141    HE1  TYR  23           HE1      TYR  23  16.083  -2.675  11.960
  142    HE2  TYR  23           HE2      TYR  23  12.032  -1.398  11.583
  143    HH   TYR  23           HH       TYR  23  14.852  -1.736  13.610
  144    HA   PRO  24           HA       PRO  24  17.489  -0.987   3.973
  145   1HB   PRO  24          2HB       PRO  24  19.900  -1.732   5.023
  146   2HB   PRO  24          3HB       PRO  24  19.366  -0.065   4.936
  147   1HG   PRO  24          2HG       PRO  24  19.497  -1.850   7.289
  148   2HG   PRO  24          3HG       PRO  24  19.382  -0.102   7.242
  149   1HD   PRO  24          2HD       PRO  24  17.264  -1.946   7.825
  150   2HD   PRO  24          3HD       PRO  24  17.124  -0.207   7.664
  151    H    GLN  25           HN       GLN  25  16.013  -3.323   5.390
  152    HA   GLN  25           HA       GLN  25  17.387  -5.605   5.053
  153   1HB   GLN  25          2HB       GLN  25  14.461  -5.206   4.287
  154   2HB   GLN  25          3HB       GLN  25  15.208  -6.718   4.764
  155   1HG   GLN  25          2HG       GLN  25  15.869  -4.926   6.850
  156   2HG   GLN  25          3HG       GLN  25  14.210  -4.528   6.448
  157   1HE2  GLN  25          1HE2      GLN  25  16.093  -6.381   8.352
  158   2HE2  GLN  25          2HE2      GLN  25  15.040  -7.711   8.702
  159    H    ASP  26           HN       ASP  26  16.254  -3.392   2.565
  160    HA   ASP  26           HA       ASP  26  15.973  -5.021   0.427
  161   1HB   ASP  26          2HB       ASP  26  15.541  -2.838  -0.166
  162   2HB   ASP  26          3HB       ASP  26  16.781  -2.198   0.894
  163    HD2  ASP  26           HD2      ASP  26  16.627  -3.973  -2.159
  164    H    TRP  27           HN       TRP  27  18.964  -3.640   1.923
  165    HA   TRP  27           HA       TRP  27  20.854  -4.242   0.082
  166   1HB   TRP  27          2HB       TRP  27  20.813  -4.128   3.057
  167   2HB   TRP  27          3HB       TRP  27  22.225  -4.828   2.291
  168    HD1  TRP  27           HD1      TRP  27  20.618  -1.473   2.988
  169    HE1  TRP  27           HE1      TRP  27  22.074   0.538   2.095
  170    HE3  TRP  27           HE3      TRP  27  23.834  -4.323   0.269
  171    HZ2  TRP  27           HZ2      TRP  27  24.356   0.708   0.390
  172    HZ3  TRP  27           HZ3      TRP  27  25.648  -3.155  -0.980
  173    HH2  TRP  27           HH2      TRP  27  25.937  -0.728  -0.950
  174    H    LEU  28           HN       LEU  28  19.017  -6.425   2.237
  175    HA   LEU  28           HA       LEU  28  20.648  -8.694   1.619
  176   1HB   LEU  28          2HB       LEU  28  17.977  -8.407   2.999
  177   2HB   LEU  28          3HB       LEU  28  18.847  -9.919   2.831
  178    HG   LEU  28           HG       LEU  28  20.773  -8.345   3.965
  179   1HD1  LEU  28          1HD1      LEU  28  18.322  -7.570   5.519
  180   2HD1  LEU  28          2HD1      LEU  28  19.954  -6.858   5.533
  181   3HD1  LEU  28          3HD1      LEU  28  18.871  -6.575   4.149
  182   1HD2  LEU  28          1HD2      LEU  28  18.792  -9.778   5.715
  183   2HD2  LEU  28          2HD2      LEU  28  19.793 -10.676   4.549
  184   3HD2  LEU  28          3HD2      LEU  28  20.567  -9.709   5.828
  185    H    CYS  29           HN       CYS  29  19.835 -10.636   0.480
  186    HA   CYS  29           HA       CYS  29  19.196 -11.503  -1.447
  187   1HB   CYS  29          2HB       CYS  29  16.964 -10.991   0.108
  188   2HB   CYS  29          3HB       CYS  29  16.499 -10.373  -1.465
  189    H    ASP  30           HN       ASP  30  20.735  -9.877  -2.502
  190    HA   ASP  30           HA       ASP  30  19.163  -8.175  -4.265
  191   1HB   ASP  30          2HB       ASP  30  20.637  -6.365  -4.021
  192   2HB   ASP  30          3HB       ASP  30  20.574  -6.995  -2.387
  193    H    GLY  31           HN       GLY  31  22.359  -9.774  -3.582
  194   1HA   GLY  31          1HA       GLY  31  22.457 -11.189  -5.997
  195   2HA   GLY  31          2HA       GLY  31  23.359  -9.701  -6.207
  196    H    HIS  32           HN       HIS  32  24.521  -9.252  -3.714
  197    HA   HIS  32           HA       HIS  32  26.010 -11.727  -3.232
  198   1HB   HIS  32          2HB       HIS  32  26.975  -9.205  -4.289
  199   2HB   HIS  32          3HB       HIS  32  27.765  -9.573  -2.769
  200    HD1  HIS  32           HD1      HIS  32  29.899 -10.798  -3.128
  201    HD2  HIS  32           HD2      HIS  32  27.006 -11.832  -5.984
  202    HE1  HIS  32           HE1      HIS  32  30.995 -12.512  -4.667
  203    HA   PRO  33           HA       PRO  33  25.105 -10.834   0.905
  204   1HB   PRO  33          2HB       PRO  33  26.896 -12.467   2.170
  205   2HB   PRO  33          3HB       PRO  33  25.376 -13.039   1.510
  206   1HG   PRO  33          2HG       PRO  33  28.110 -13.390   0.441
  207   2HG   PRO  33          3HG       PRO  33  26.656 -14.287   0.052
  208   1HD   PRO  33          2HD       PRO  33  27.897 -12.254  -1.545
  209   2HD   PRO  33          3HD       PRO  33  26.381 -13.069  -1.878
  210    H    ASP  34           HN       ASP  34  25.726  -9.740   2.844
  211    HA   ASP  34           HA       ASP  34  28.387  -8.866   3.029
  212   1HB   ASP  34          2HB       ASP  34  26.868  -6.395   2.845
  213   2HB   ASP  34          3HB       ASP  34  28.333  -6.846   1.995
  214    H    CYS  35           HN       CYS  35  26.271 -10.174   4.623
  215    HA   CYS  35           HA       CYS  35  25.432  -8.111   6.482
  216   1HB   CYS  35          2HB       CYS  35  24.401 -10.657   5.642
  217   2HB   CYS  35          3HB       CYS  35  24.646 -10.681   7.377
  218    H    ASP  36           HN       ASP  36  25.438  -9.723   8.866
  219    HA   ASP  36           HA       ASP  36  27.735  -9.174  10.010
  220   1HB   ASP  36          2HB       ASP  36  25.531 -10.828  10.594
  221   2HB   ASP  36          3HB       ASP  36  26.906 -11.899  10.776
  222    HD2  ASP  36           HD2      ASP  36  28.393 -10.930  13.072
  223    H    ASP  37           HN       ASP  37  26.968 -12.291   8.290
  224    HA   ASP  37           HA       ASP  37  29.843 -12.762   8.163
  225   1HB   ASP  37          2HB       ASP  37  27.971 -14.413   9.272
  226   2HB   ASP  37          3HB       ASP  37  27.893 -14.978   7.615
  227    HD2  ASP  37           HD2      ASP  37  30.238 -16.957   9.482
  228    H    GLY  38           HN       GLY  38  26.720 -13.647   6.482
  229   1HA   GLY  38          1HA       GLY  38  26.858 -12.446   4.134
  230   2HA   GLY  38          2HA       GLY  38  28.093 -13.668   3.905
  231    H    ARG  39           HN       ARG  39  24.755 -13.483   5.357
  232    HA   ARG  39           HA       ARG  39  24.093 -15.747   3.668
  233   1HB   ARG  39          2HB       ARG  39  22.875 -16.831   5.522
  234   2HB   ARG  39          3HB       ARG  39  24.549 -16.588   5.982
  235   1HG   ARG  39          2HG       ARG  39  23.785 -14.373   7.079
  236   2HG   ARG  39          3HG       ARG  39  22.140 -14.924   6.832
  237   1HD   ARG  39          2HD       ARG  39  22.603 -15.689   9.018
  238   2HD   ARG  39          3HD       ARG  39  22.908 -17.119   8.052
  239    HE   ARG  39           HE       ARG  39  25.322 -15.552   8.281
  240   1HH1  ARG  39          1HH1      ARG  39  26.746 -17.393  10.859
  241   1HH2  ARG  39          2HH2      ARG  39  23.258 -17.749  10.143
  242   2HH2  ARG  39          1HH2      ARG  39  24.543 -18.283  11.173
  243    H    ASP  40           HN       ASP  40  23.619 -12.679   3.809
  244    HA   ASP  40           HA       ASP  40  20.857 -12.463   4.421
  245   1HB   ASP  40          2HB       ASP  40  21.212 -10.154   3.277
  246   2HB   ASP  40          3HB       ASP  40  22.076 -10.468   4.769
  247    H    GLU  41           HN       GLU  41  22.447 -14.011   1.972
  248    HA   GLU  41           HA       GLU  41  20.208 -13.900   0.260
  249   1HB   GLU  41          2HB       GLU  41  21.959 -13.265  -1.724
  250   2HB   GLU  41          3HB       GLU  41  20.919 -12.090  -0.942
  251   1HG   GLU  41          2HG       GLU  41  23.074 -12.176   0.807
  252   2HG   GLU  41          3HG       GLU  41  23.864 -12.443  -0.734
  253    H    TRP  42           HN       TRP  42  21.514 -15.924   1.784
  254    HA   TRP  42           HA       TRP  42  23.453 -17.380   0.511
  255   1HB   TRP  42          2HB       TRP  42  22.780 -17.919   2.724
  256   2HB   TRP  42          3HB       TRP  42  21.126 -18.227   2.232
  257    HD1  TRP  42           HD1      TRP  42  20.674 -20.790   2.263
  258    HE1  TRP  42           HE1      TRP  42  21.938 -23.039   1.710
  259    HE3  TRP  42           HE3      TRP  42  25.069 -18.606   0.932
  260    HZ2  TRP  42           HZ2      TRP  42  24.575 -23.639   0.798
  261    HZ3  TRP  42           HZ3      TRP  42  26.938 -20.095   0.223
  262    HH2  TRP  42           HH2      TRP  42  26.743 -22.531   0.143
  263    H    GLY  43           HN       GLY  43  20.185 -18.833   0.553
  264   1HA   GLY  43          1HA       GLY  43  20.535 -19.792  -2.138
  265   2HA   GLY  43          2HA       GLY  43  19.190 -20.092  -1.055
  266    H    CYS  44           HN       CYS  44  20.613 -16.976  -2.263
  267    HA   CYS  44           HA       CYS  44  17.947 -16.369  -3.320
  268   1HB   CYS  44          2HB       CYS  44  18.740 -15.004  -1.355
  269   2HB   CYS  44          3HB       CYS  44  20.011 -14.370  -2.382
  270    H    GLY  45           HN       GLY  45  21.498 -16.387  -3.762
  271   1HA   GLY  45          1HA       GLY  45  21.861 -14.941  -6.045
  272   2HA   GLY  45          2HA       GLY  45  22.745 -16.399  -5.638
  273    H    THR  46           HN       THR  46  20.070 -15.018  -7.513
  274    HA   THR  46           HA       THR  46  19.687 -17.633  -8.812
  275    HB   THR  46           HB       THR  46  17.706 -16.538  -7.638
  276    HG1  THR  46           HG1      THR  46  17.686 -16.587 -10.573
  277   1HG2  THR  46          1HG2      THR  46  16.776 -14.521  -8.421
  278   2HG2  THR  46          2HG2      THR  46  18.511 -14.148  -8.559
  279   3HG2  THR  46          3HG2      THR  46  17.590 -14.646  -9.999
  280    H    SER  47           HN       SER  47  20.204 -17.922 -10.909
  281    HA   SER  47           HA       SER  47  20.959 -15.493 -12.338
  282   1HB   SER  47          2HB       SER  47  22.782 -17.295 -11.541
  283   2HB   SER  47          3HB       SER  47  22.258 -18.133 -12.988
  284    HG   SER  47           HG       SER  47  23.870 -15.903 -12.746
  Start of MODEL   18
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   3.093   0.339  -1.061
    3   2HA   GLY   1          2HA       GLY   1   2.140  -1.016  -1.634
    4    H    SER   2           HN       SER   2   3.124   2.030  -2.467
    5    HA   SER   2           HA       SER   2   1.203   2.198  -4.510
    6   1HB   SER   2          2HB       SER   2   0.259   3.332  -2.211
    7   2HB   SER   2          3HB       SER   2   1.120   4.705  -2.879
    8    HG   SER   2           HG       SER   2  -0.095   4.305  -4.917
    9    H    SER   3           HN       SER   3   1.686   4.166  -5.956
   10    HA   SER   3           HA       SER   3   4.527   4.508  -5.968
   11   1HB   SER   3          2HB       SER   3   2.297   4.763  -7.889
   12   2HB   SER   3          3HB       SER   3   3.487   6.037  -8.064
   13    HG   SER   3           HG       SER   3   3.658   3.520  -8.963
   14    H    ARG   4           HN       ARG   4   4.188   5.755  -3.770
   15    HA   ARG   4           HA       ARG   4   3.932   7.600  -2.623
   16   1HB   ARG   4          2HB       ARG   4   5.656   8.268  -4.991
   17   2HB   ARG   4          3HB       ARG   4   5.138   9.627  -4.014
   18   1HG   ARG   4          2HG       ARG   4   7.012   9.083  -2.788
   19   2HG   ARG   4          3HG       ARG   4   5.905   7.970  -2.008
   20   1HD   ARG   4          2HD       ARG   4   6.628   6.326  -3.982
   21   2HD   ARG   4          3HD       ARG   4   8.019   7.385  -4.097
   22    HE   ARG   4           HE       ARG   4   7.561   6.657  -1.341
   23   1HH1  ARG   4          1HH1      ARG   4   9.920   4.111  -1.206
   24   1HH2  ARG   4          2HH2      ARG   4   8.819   5.342  -4.381
   25   2HH2  ARG   4          1HH2      ARG   4   9.865   4.203  -3.600
   26    H    CYS   5           HN       CYS   5   1.491   7.167  -3.789
   27    HA   CYS   5           HA       CYS   5   0.332   9.670  -3.810
   28   1HB   CYS   5          2HB       CYS   5   1.313  10.148  -5.919
   29   2HB   CYS   5          3HB       CYS   5   0.881   8.579  -6.568
   30    HA   PRO   6           HA       PRO   6  -2.225   5.936  -3.347
   31   1HB   PRO   6          2HB       PRO   6  -3.084   6.393  -0.794
   32   2HB   PRO   6          3HB       PRO   6  -1.691   5.400  -1.173
   33   1HG   PRO   6          2HG       PRO   6  -1.768   8.146  -0.079
   34   2HG   PRO   6          3HG       PRO   6  -0.446   6.996  -0.066
   35   1HD   PRO   6          2HD       PRO   6  -0.724   9.272  -1.789
   36   2HD   PRO   6          3HD       PRO   6   0.538   8.057  -1.853
   37    HA   PRO   7           HA       PRO   7  -6.022   7.709  -4.044
   38   1HB   PRO   7          2HB       PRO   7  -7.864   6.039  -2.910
   39   2HB   PRO   7          3HB       PRO   7  -7.089   5.708  -4.446
   40   1HG   PRO   7          2HG       PRO   7  -6.580   4.473  -1.808
   41   2HG   PRO   7          3HG       PRO   7  -6.141   3.884  -3.399
   42   1HD   PRO   7          2HD       PRO   7  -4.400   5.129  -1.490
   43   2HD   PRO   7          3HD       PRO   7  -3.989   4.645  -3.123
   44    H    GLY   8           HN       GLY   8  -7.398   9.332  -3.435
   45   1HA   GLY   8          1HA       GLY   8  -8.388   9.570  -0.826
   46   2HA   GLY   8          2HA       GLY   8  -6.888  10.471  -0.916
   47    H    GLN   9           HN       GLN   9 -10.138  10.075  -2.414
   48    HA   GLN   9           HA       GLN   9  -9.896  12.855  -3.265
   49   1HB   GLN   9          2HB       GLN   9 -10.033  10.847  -5.042
   50   2HB   GLN   9          3HB       GLN   9 -11.749  10.976  -4.714
   51   1HG   GLN   9          2HG       GLN   9 -11.618  13.453  -5.215
   52   2HG   GLN   9          3HG       GLN   9  -9.929  13.250  -5.637
   53   1HE2  GLN   9          1HE2      GLN   9 -12.663  13.821  -7.024
   54   2HE2  GLN   9          2HE2      GLN   9 -12.601  12.877  -8.474
   55    H    PHE  10           HN       PHE  10 -10.875  11.663  -0.700
   56    HA   PHE  10           HA       PHE  10 -13.662  11.550  -0.678
   57   1HB   PHE  10          2HB       PHE  10 -13.272  11.859   1.791
   58   2HB   PHE  10          3HB       PHE  10 -12.111  10.732   1.119
   59    HD1  PHE  10           HD1      PHE  10 -10.853  13.535  -0.200
   60    HD2  PHE  10           HD2      PHE  10 -11.485  11.869   3.651
   61    HE1  PHE  10           HE1      PHE  10  -8.974  14.927   0.710
   62    HE2  PHE  10           HE2      PHE  10  -9.606  13.262   4.562
   63    HZ   PHE  10           HZ       PHE  10  -8.373  14.774   3.080
   64    H    ARG  11           HN       ARG  11 -14.136  13.425   1.579
   65    HA   ARG  11           HA       ARG  11 -14.194  15.862  -0.013
   66   1HB   ARG  11          2HB       ARG  11 -16.306  14.402   1.271
   67   2HB   ARG  11          3HB       ARG  11 -16.112  15.886   2.181
   68   1HG   ARG  11          2HG       ARG  11 -16.020  16.984  -0.268
   69   2HG   ARG  11          3HG       ARG  11 -16.877  15.523  -0.717
   70   1HD   ARG  11          2HD       ARG  11 -18.575  16.009   1.101
   71   2HD   ARG  11          3HD       ARG  11 -17.745  17.516   1.433
   72    HE   ARG  11           HE       ARG  11 -19.552  17.011  -0.765
   73   1HH1  ARG  11          1HH1      ARG  11 -18.839  19.917  -2.528
   74   1HH2  ARG  11          2HH2      ARG  11 -16.626  18.828   0.066
   75   2HH2  ARG  11          1HH2      ARG  11 -16.900  20.054  -1.127
   76    H    CYS  12           HN       CYS  12 -12.172  14.696   2.038
   77    HA   CYS  12           HA       CYS  12 -10.773  15.592   3.488
   78   1HB   CYS  12          2HB       CYS  12 -11.215  17.760   2.310
   79   2HB   CYS  12          3HB       CYS  12 -12.453  18.105   3.502
   80    H    SER  13           HN       SER  13 -12.520  13.770   4.413
   81    HA   SER  13           HA       SER  13 -13.207  14.854   7.009
   82   1HB   SER  13          2HB       SER  13 -15.333  14.896   5.846
   83   2HB   SER  13          3HB       SER  13 -15.084  13.289   5.194
   84    HG   SER  13           HG       SER  13 -15.087  12.518   7.481
   85    H    GLU  14           HN       GLU  14 -11.269  12.883   5.385
   86    HA   GLU  14           HA       GLU  14 -10.658  11.269   7.490
   87   1HB   GLU  14          2HB       GLU  14 -11.432   9.007   6.470
   88   2HB   GLU  14          3HB       GLU  14 -12.615   9.962   7.341
   89   1HG   GLU  14          2HG       GLU  14 -13.343  10.967   5.115
   90   2HG   GLU  14          3HG       GLU  14 -12.262   9.846   4.310
   91    HE2  GLU  14           HE2      GLU  14 -14.319   7.153   4.665
   92    HA   PRO  15           HA       PRO  15  -7.465  11.199   4.465
   93   1HB   PRO  15          2HB       PRO  15  -5.402  10.657   6.173
   94   2HB   PRO  15          3HB       PRO  15  -5.976  12.281   5.849
   95   1HG   PRO  15          2HG       PRO  15  -6.406  10.607   8.247
   96   2HG   PRO  15          3HG       PRO  15  -6.594  12.341   8.070
   97   1HD   PRO  15          2HD       PRO  15  -8.692  10.387   8.159
   98   2HD   PRO  15          3HD       PRO  15  -8.872  12.106   7.866
   99    HA   PRO  16           HA       PRO  16  -7.655   6.923   3.896
  100   1HB   PRO  16          2HB       PRO  16  -7.313   6.917   1.185
  101   2HB   PRO  16          3HB       PRO  16  -8.882   7.063   1.952
  102   1HG   PRO  16          2HG       PRO  16  -7.262   9.155   0.635
  103   2HG   PRO  16          3HG       PRO  16  -8.971   9.171   1.020
  104   1HD   PRO  16          2HD       PRO  16  -6.882  10.538   2.431
  105   2HD   PRO  16          3HD       PRO  16  -8.573  10.458   2.882
  106    H    GLY  17           HN       GLY  17  -5.285   8.807   2.071
  107   1HA   GLY  17          1HA       GLY  17  -3.225   6.998   3.151
  108   2HA   GLY  17          2HA       GLY  17  -3.332   7.275   1.424
  109    H    ALA  18           HN       ALA  18  -3.486   9.303   4.448
  110    HA   ALA  18           HA       ALA  18  -2.724  11.680   3.511
  111   1HB   ALA  18          1HB       ALA  18  -2.232  10.167   6.039
  112   2HB   ALA  18          2HB       ALA  18  -1.285  11.654   5.796
  113   3HB   ALA  18          3HB       ALA  18  -3.064  11.718   5.779
  114    H    HIS  19           HN       HIS  19  -1.132  12.398   2.196
  115    HA   HIS  19           HA       HIS  19   1.542  11.956   2.670
  116   1HB   HIS  19          2HB       HIS  19   0.388   9.676   1.510
  117   2HB   HIS  19          3HB       HIS  19   1.205  10.483   0.186
  118    HD1  HIS  19           HD1      HIS  19   3.704  11.584   1.677
  119    HD2  HIS  19           HD2      HIS  19   2.187   7.701   2.140
  120    HE1  HIS  19           HE1      HIS  19   5.645  10.152   2.511
  121    H    GLY  20           HN       GLY  20   1.389  14.237   2.312
  122   1HA   GLY  20          1HA       GLY  20   0.255  15.639   0.327
  123   2HA   GLY  20          2HA       GLY  20   1.833  16.021   0.987
  124    H    GLU  21           HN       GLU  21   2.911  13.311  -0.012
  125    HA   GLU  21           HA       GLU  21   4.240  14.091  -2.158
  126   1HB   GLU  21          2HB       GLU  21   4.009  11.739  -0.814
  127   2HB   GLU  21          3HB       GLU  21   3.222  11.277  -2.310
  128   1HG   GLU  21          2HG       GLU  21   5.626  10.791  -2.465
  129   2HG   GLU  21          3HG       GLU  21   5.210  12.054  -3.606
  130    HE2  GLU  21           HE2      GLU  21   7.843  13.590  -2.643
  131    H    CYS  22           HN       CYS  22   0.814  13.223  -2.049
  132    HA   CYS  22           HA       CYS  22   0.646  13.957  -4.864
  133   1HB   CYS  22          2HB       CYS  22   0.630  11.441  -4.589
  134   2HB   CYS  22          3HB       CYS  22  -0.883  11.615  -3.722
  135    H    TYR  23           HN       TYR  23  -1.566  12.745  -2.234
  136    HA   TYR  23           HA       TYR  23  -3.304  15.019  -2.728
  137   1HB   TYR  23          2HB       TYR  23  -3.300  12.353  -1.238
  138   2HB   TYR  23          3HB       TYR  23  -4.495  13.549  -0.778
  139    HD1  TYR  23           HD1      TYR  23  -5.448  14.724  -3.214
  140    HD2  TYR  23           HD2      TYR  23  -4.276  10.672  -2.498
  141    HE1  TYR  23           HE1      TYR  23  -6.948  13.947  -5.114
  142    HE2  TYR  23           HE2      TYR  23  -5.780   9.908  -4.400
  143    HH   TYR  23           HH       TYR  23  -7.851  12.221  -6.099
  144    HA   PRO  24           HA       PRO  24  -1.829  17.149   0.754
  145   1HB   PRO  24          2HB       PRO  24  -3.746  19.091   0.914
  146   2HB   PRO  24          3HB       PRO  24  -2.378  19.182  -0.177
  147   1HG   PRO  24          2HG       PRO  24  -5.202  18.564  -0.794
  148   2HG   PRO  24          3HG       PRO  24  -3.927  19.074  -1.883
  149   1HD   PRO  24          2HD       PRO  24  -4.965  16.417  -1.579
  150   2HD   PRO  24          3HD       PRO  24  -3.614  16.906  -2.581
  151    H    GLN  25           HN       GLN  25  -4.261  15.050   0.751
  152    HA   GLN  25           HA       GLN  25  -5.754  15.678   2.940
  153   1HB   GLN  25          2HB       GLN  25  -6.344  13.340   3.024
  154   2HB   GLN  25          3HB       GLN  25  -6.095  13.749   1.338
  155   1HG   GLN  25          2HG       GLN  25  -3.532  12.980   2.264
  156   2HG   GLN  25          3HG       GLN  25  -4.629  11.841   3.018
  157   1HE2  GLN  25          1HE2      GLN  25  -2.846  10.940   1.225
  158   2HE2  GLN  25          2HE2      GLN  25  -3.604  10.459  -0.257
  159    H    ASP  26           HN       ASP  26  -2.371  15.036   2.775
  160    HA   ASP  26           HA       ASP  26  -1.780  13.660   4.990
  161   1HB   ASP  26          2HB       ASP  26   0.077  14.351   3.740
  162   2HB   ASP  26          3HB       ASP  26  -0.506  15.996   3.584
  163    HD2  ASP  26           HD2      ASP  26   0.305  17.398   5.948
  164    H    TRP  27           HN       TRP  27  -2.701  17.143   4.678
  165    HA   TRP  27           HA       TRP  27  -2.160  18.104   7.151
  166   1HB   TRP  27          2HB       TRP  27  -4.716  18.657   5.641
  167   2HB   TRP  27          3HB       TRP  27  -3.920  19.698   6.804
  168    HD1  TRP  27           HD1      TRP  27  -4.226  19.365   3.182
  169    HE1  TRP  27           HE1      TRP  27  -2.349  20.615   1.812
  170    HE3  TRP  27           HE3      TRP  27  -1.073  20.042   7.113
  171    HZ2  TRP  27           HZ2      TRP  27   0.187  21.722   2.511
  172    HZ3  TRP  27           HZ3      TRP  27   1.083  21.216   6.684
  173    HH2  TRP  27           HH2      TRP  27   1.732  22.044   4.478
  174    H    LEU  28           HN       LEU  28  -4.919  16.028   6.090
  175    HA   LEU  28           HA       LEU  28  -6.288  16.082   8.527
  176   1HB   LEU  28          2HB       LEU  28  -6.231  14.036   6.306
  177   2HB   LEU  28          3HB       LEU  28  -7.359  14.008   7.647
  178    HG   LEU  28           HG       LEU  28  -7.801  16.522   6.752
  179   1HD1  LEU  28          1HD1      LEU  28  -7.949  16.331   4.226
  180   2HD1  LEU  28          2HD1      LEU  28  -6.320  16.544   4.913
  181   3HD1  LEU  28          3HD1      LEU  28  -6.851  14.936   4.362
  182   1HD2  LEU  28          1HD2      LEU  28  -9.068  13.895   6.375
  183   2HD2  LEU  28          2HD2      LEU  28  -9.756  15.442   6.924
  184   3HD2  LEU  28          3HD2      LEU  28  -9.553  15.126   5.184
  185    H    CYS  29           HN       CYS  29  -6.383  14.529  10.253
  186    HA   CYS  29           HA       CYS  29  -5.335  13.450  11.874
  187   1HB   CYS  29          2HB       CYS  29  -5.359  11.746   9.508
  188   2HB   CYS  29          3HB       CYS  29  -4.092  11.297  10.632
  189    H    ASP  30           HN       ASP  30  -3.798  15.351  12.068
  190    HA   ASP  30           HA       ASP  30  -1.107  14.408  11.505
  191   1HB   ASP  30          2HB       ASP  30  -0.450  16.381  10.490
  192   2HB   ASP  30          3HB       ASP  30  -2.131  16.375   9.997
  193    H    GLY  31           HN       GLY  31  -3.167  16.924  13.151
  194   1HA   GLY  31          1HA       GLY  31  -2.370  16.271  15.752
  195   2HA   GLY  31          2HA       GLY  31  -1.332  17.564  15.187
  196    H    HIS  32           HN       HIS  32  -3.081  19.036  13.511
  197    HA   HIS  32           HA       HIS  32  -5.087  19.892  15.469
  198   1HB   HIS  32          2HB       HIS  32  -3.005  21.351  14.032
  199   2HB   HIS  32          3HB       HIS  32  -4.591  22.050  13.772
  200    HD1  HIS  32           HD1      HIS  32  -5.687  23.303  15.724
  201    HD2  HIS  32           HD2      HIS  32  -2.128  21.352  16.783
  202    HE1  HIS  32           HE1      HIS  32  -5.081  24.138  18.058
  203    HA   PRO  33           HA       PRO  33  -7.929  18.989  12.316
  204   1HB   PRO  33          2HB       PRO  33 -10.182  20.033  13.458
  205   2HB   PRO  33          3HB       PRO  33  -9.556  18.444  13.851
  206   1HG   PRO  33          2HG       PRO  33  -9.424  20.933  15.440
  207   2HG   PRO  33          3HG       PRO  33  -9.198  19.278  15.971
  208   1HD   PRO  33          2HD       PRO  33  -7.145  21.227  15.508
  209   2HD   PRO  33          3HD       PRO  33  -6.915  19.541  15.926
  210    H    ASP  34           HN       ASP  34  -8.235  19.812  10.347
  211    HA   ASP  34           HA       ASP  34  -9.117  22.528  10.250
  212   1HB   ASP  34          2HB       ASP  34  -7.045  22.535   8.340
  213   2HB   ASP  34          3HB       ASP  34  -7.080  23.436   9.842
  214    H    CYS  35           HN       CYS  35 -10.876  20.924   9.411
  215    HA   CYS  35           HA       CYS  35 -10.434  20.538   6.550
  216   1HB   CYS  35          2HB       CYS  35 -10.749  18.452   8.482
  217   2HB   CYS  35          3HB       CYS  35 -12.180  18.488   7.471
  218    H    ASP  36           HN       ASP  36 -13.095  19.461   6.104
  219    HA   ASP  36           HA       ASP  36 -14.570  21.563   5.626
  220   1HB   ASP  36          2HB       ASP  36 -15.335  19.338   5.035
  221   2HB   ASP  36          3HB       ASP  36 -15.472  18.866   6.717
  222    HD2  ASP  36           HD2      ASP  36 -18.434  20.357   4.730
  223    H    ASP  37           HN       ASP  37 -14.539  19.739   8.773
  224    HA   ASP  37           HA       ASP  37 -15.698  22.121   9.992
  225   1HB   ASP  37          2HB       ASP  37 -17.053  19.801   9.819
  226   2HB   ASP  37          3HB       ASP  37 -16.077  19.386  11.215
  227    HD2  ASP  37           HD2      ASP  37 -18.758  22.032  10.683
  228    H    GLY  38           HN       GLY  38 -14.044  18.950  10.742
  229   1HA   GLY  38          1HA       GLY  38 -11.634  19.661  11.574
  230   2HA   GLY  38          2HA       GLY  38 -12.589  20.193  12.943
  231    H    ARG  39           HN       ARG  39 -13.072  17.332  10.769
  232    HA   ARG  39           HA       ARG  39 -12.799  15.709  13.172
  233   1HB   ARG  39          2HB       ARG  39 -14.262  14.058  11.671
  234   2HB   ARG  39          3HB       ARG  39 -15.034  15.349  12.570
  235   1HG   ARG  39          2HG       ARG  39 -15.008  16.805  10.559
  236   2HG   ARG  39          3HG       ARG  39 -14.155  15.572   9.652
  237   1HD   ARG  39          2HD       ARG  39 -16.211  14.819   9.016
  238   2HD   ARG  39          3HD       ARG  39 -16.351  14.158  10.633
  239    HE   ARG  39           HE       ARG  39 -17.874  15.854  11.179
  240   1HH1  ARG  39          1HH1      ARG  39 -18.960  18.642   9.414
  241   1HH2  ARG  39          2HH2      ARG  39 -16.170  16.753   8.206
  242   2HH2  ARG  39          1HH2      ARG  39 -17.180  18.125   7.894
  243    H    ASP  40           HN       ASP  40 -11.293  16.613  10.322
  244    HA   ASP  40           HA       ASP  40 -10.609  14.431   8.956
  245   1HB   ASP  40          2HB       ASP  40  -8.453  15.559   8.467
  246   2HB   ASP  40          3HB       ASP  40  -9.787  16.694   8.432
  247    H    GLU  41           HN       GLU  41  -9.674  15.356  12.258
  248    HA   GLU  41           HA       GLU  41  -8.280  12.823  12.479
  249   1HB   GLU  41          2HB       GLU  41  -6.371  13.746  13.553
  250   2HB   GLU  41          3HB       GLU  41  -6.643  14.785  12.168
  251   1HG   GLU  41          2HG       GLU  41  -8.174  16.120  13.963
  252   2HG   GLU  41          3HG       GLU  41  -7.068  15.361  15.091
  253    H    TRP  42           HN       TRP  42 -10.966  13.389  13.194
  254    HA   TRP  42           HA       TRP  42 -11.416  14.344  15.722
  255   1HB   TRP  42          2HB       TRP  42 -12.838  12.915  13.736
  256   2HB   TRP  42          3HB       TRP  42 -13.055  12.038  15.237
  257    HD1  TRP  42           HD1      TRP  42 -12.850  15.121  16.828
  258    HE1  TRP  42           HE1      TRP  42 -15.075  16.523  17.038
  259    HE3  TRP  42           HE3      TRP  42 -15.368  12.657  13.161
  260    HZ2  TRP  42           HZ2      TRP  42 -17.583  16.446  15.677
  261    HZ3  TRP  42           HZ3      TRP  42 -17.700  13.383  12.665
  262    HH2  TRP  42           HH2      TRP  42 -18.809  15.208  13.854
  263    H    GLY  43           HN       GLY  43 -11.599  10.790  15.132
  264   1HA   GLY  43          1HA       GLY  43 -10.576  10.262  17.772
  265   2HA   GLY  43          2HA       GLY  43 -11.114   9.101  16.575
  266    H    CYS  44           HN       CYS  44  -8.583  11.695  16.366
  267    HA   CYS  44           HA       CYS  44  -6.702   9.565  15.656
  268   1HB   CYS  44          2HB       CYS  44  -7.416  11.764  14.175
  269   2HB   CYS  44          3HB       CYS  44  -5.961  12.327  14.974
  270    H    GLY  45           HN       GLY  45  -7.603  12.123  17.873
  271   1HA   GLY  45          1HA       GLY  45  -5.221  12.998  18.923
  272   2HA   GLY  45          2HA       GLY  45  -6.709  12.795  19.825
  273    H    THR  46           HN       THR  46  -3.516  11.516  19.156
  274    HA   THR  46           HA       THR  46  -4.012   9.400  21.144
  275    HB   THR  46           HB       THR  46  -3.789   8.546  18.760
  276    HG1  THR  46           HG1      THR  46  -1.532   8.115  20.590
  277   1HG2  THR  46          1HG2      THR  46  -2.079  10.295  18.013
  278   2HG2  THR  46          2HG2      THR  46  -0.898   9.502  19.084
  279   3HG2  THR  46          3HG2      THR  46  -1.582   8.615  17.701
  280    H    SER  47           HN       SER  47  -2.541   9.165  22.783
  281    HA   SER  47           HA       SER  47  -0.045  10.521  22.593
  282   1HB   SER  47          2HB       SER  47  -2.169  12.037  23.569
  283   2HB   SER  47          3HB       SER  47  -1.452  11.411  25.040
  284    HG   SER  47           HG       SER  47   0.664  12.192  24.138
  Start of MODEL   19
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   2.063   1.000  -1.680
    3   2HA   GLY   1          2HA       GLY   1   3.115  -0.251  -1.048
    4    H    SER   2           HN       SER   2   3.361  -1.634  -2.790
    5    HA   SER   2           HA       SER   2   1.001  -3.091  -3.521
    6   1HB   SER   2          2HB       SER   2   1.633  -2.855  -6.011
    7   2HB   SER   2          3HB       SER   2   0.829  -1.490  -5.261
    8    HG   SER   2           HG       SER   2   2.624  -0.729  -6.465
    9    H    SER   3           HN       SER   3   1.698  -5.148  -3.050
   10    HA   SER   3           HA       SER   3   4.166  -5.979  -4.297
   11   1HB   SER   3          2HB       SER   3   3.689  -5.793  -1.359
   12   2HB   SER   3          3HB       SER   3   4.388  -7.305  -1.901
   13    HG   SER   3           HG       SER   3   5.446  -4.642  -2.138
   14    H    ARG   4           HN       ARG   4   1.961  -6.699  -5.502
   15    HA   ARG   4           HA       ARG   4   0.465  -8.221  -5.953
   16   1HB   ARG   4          2HB       ARG   4   2.953  -9.777  -5.214
   17   2HB   ARG   4          3HB       ARG   4   1.502 -10.681  -5.600
   18   1HG   ARG   4          2HG       ARG   4   2.398 -10.489  -7.734
   19   2HG   ARG   4          3HG       ARG   4   1.418  -9.037  -7.711
   20   1HD   ARG   4          2HD       ARG   4   3.247  -7.654  -7.731
   21   2HD   ARG   4          3HD       ARG   4   4.106  -8.614  -6.542
   22    HE   ARG   4           HE       ARG   4   4.536  -8.708  -9.354
   23   1HH1  ARG   4          1HH1      ARG   4   6.045 -11.830  -9.552
   24   1HH2  ARG   4          2HH2      ARG   4   4.135 -10.965  -6.652
   25   2HH2  ARG   4          1HH2      ARG   4   5.083 -12.212  -7.390
   26    H    CYS   5           HN       CYS   5  -0.514  -7.265  -3.712
   27    HA   CYS   5           HA       CYS   5  -1.870  -9.344  -2.516
   28   1HB   CYS   5          2HB       CYS   5  -0.015 -10.115  -1.343
   29   2HB   CYS   5          3HB       CYS   5   0.600  -8.504  -1.035
   30    HA   PRO   6           HA       PRO   6  -3.313  -5.068  -2.002
   31   1HB   PRO   6          2HB       PRO   6  -5.712  -5.342  -3.283
   32   2HB   PRO   6          3HB       PRO   6  -4.260  -4.771  -4.080
   33   1HG   PRO   6          2HG       PRO   6  -5.566  -7.415  -4.280
   34   2HG   PRO   6          3HG       PRO   6  -4.394  -6.685  -5.359
   35   1HD   PRO   6          2HD       PRO   6  -3.896  -8.737  -3.418
   36   2HD   PRO   6          3HD       PRO   6  -2.705  -7.926  -4.415
   37    HA   PRO   7           HA       PRO   7  -5.950  -5.675   1.273
   38   1HB   PRO   7          2HB       PRO   7  -7.718  -3.592   1.228
   39   2HB   PRO   7          3HB       PRO   7  -6.077  -3.443   1.824
   40   1HG   PRO   7          2HG       PRO   7  -7.213  -2.487  -0.732
   41   2HG   PRO   7          3HG       PRO   7  -5.731  -1.995   0.063
   42   1HD   PRO   7          2HD       PRO   7  -5.966  -3.740  -2.201
   43   2HD   PRO   7          3HD       PRO   7  -4.496  -3.339  -1.334
   44    H    GLY   8           HN       GLY   8  -7.868  -6.577   2.126
   45   1HA   GLY   8          1HA       GLY   8 -10.234  -6.714   0.637
   46   2HA   GLY   8          2HA       GLY   8  -9.265  -8.116   0.231
   47    H    GLN   9           HN       GLN   9 -10.758  -6.302   2.958
   48    HA   GLN   9           HA       GLN   9 -11.078  -8.850   4.288
   49   1HB   GLN   9          2HB       GLN   9 -10.435  -7.746   6.494
   50   2HB   GLN   9          3HB       GLN   9  -9.107  -8.053   5.393
   51   1HG   GLN   9          2HG       GLN   9  -9.053  -5.728   4.672
   52   2HG   GLN   9          3HG       GLN   9 -10.561  -5.374   5.492
   53   1HE2  GLN   9          1HE2      GLN   9 -10.516  -4.624   7.482
   54   2HE2  GLN   9          2HE2      GLN   9  -9.152  -4.596   8.550
   55    H    PHE  10           HN       PHE  10 -12.743  -6.806   2.748
   56    HA   PHE  10           HA       PHE  10 -14.332  -5.415   4.604
   57   1HB   PHE  10          2HB       PHE  10 -15.774  -5.134   2.580
   58   2HB   PHE  10          3HB       PHE  10 -14.090  -4.945   2.130
   59    HD1  PHE  10           HD1      PHE  10 -14.011  -8.236   2.584
   60    HD2  PHE  10           HD2      PHE  10 -15.999  -5.470   0.053
   61    HE1  PHE  10           HE1      PHE  10 -14.276 -10.022   0.841
   62    HE2  PHE  10           HE2      PHE  10 -16.264  -7.256  -1.690
   63    HZ   PHE  10           HZ       PHE  10 -15.400  -9.510  -1.276
   64    H    ARG  11           HN       ARG  11 -16.984  -6.127   3.620
   65    HA   ARG  11           HA       ARG  11 -17.262  -8.597   5.119
   66   1HB   ARG  11          2HB       ARG  11 -19.412  -7.844   5.807
   67   2HB   ARG  11          3HB       ARG  11 -18.450  -6.379   5.818
   68   1HG   ARG  11          2HG       ARG  11 -20.169  -5.543   4.547
   69   2HG   ARG  11          3HG       ARG  11 -19.313  -6.317   3.228
   70   1HD   ARG  11          2HD       ARG  11 -20.923  -7.932   2.963
   71   2HD   ARG  11          3HD       ARG  11 -21.102  -8.176   4.689
   72    HE   ARG  11           HE       ARG  11 -22.712  -6.425   3.014
   73   1HH1  ARG  11          1HH1      ARG  11 -24.474  -4.987   5.639
   74   1HH2  ARG  11          2HH2      ARG  11 -21.493  -6.850   6.314
   75   2HH2  ARG  11          1HH2      ARG  11 -22.775  -5.937   7.038
   76    H    CYS  12           HN       CYS  12 -17.057  -7.510   1.974
   77    HA   CYS  12           HA       CYS  12 -17.343  -8.813   0.147
   78   1HB   CYS  12          2HB       CYS  12 -18.088 -10.701   1.756
   79   2HB   CYS  12          3HB       CYS  12 -19.720 -10.210   1.348
   80    H    SER  13           HN       SER  13 -18.059  -6.254   0.269
   81    HA   SER  13           HA       SER  13 -20.571  -6.238  -1.139
   82   1HB   SER  13          2HB       SER  13 -20.157  -5.055   1.544
   83   2HB   SER  13          3HB       SER  13 -20.802  -3.916   0.379
   84    HG   SER  13           HG       SER  13 -22.682  -4.835   0.858
   85    H    GLU  14           HN       GLU  14 -17.417  -5.722  -1.251
   86    HA   GLU  14           HA       GLU  14 -17.458  -4.009  -3.360
   87   1HB   GLU  14          2HB       GLU  14 -16.393  -1.937  -2.314
   88   2HB   GLU  14          3HB       GLU  14 -18.105  -2.148  -2.004
   89   1HG   GLU  14          2HG       GLU  14 -17.313  -3.414   0.173
   90   2HG   GLU  14          3HG       GLU  14 -15.777  -2.620  -0.114
   91    HE2  GLU  14           HE2      GLU  14 -16.501   0.152  -0.522
   92    HA   PRO  15           HA       PRO  15 -13.567  -6.050  -2.944
   93   1HB   PRO  15          2HB       PRO  15 -13.000  -6.202  -5.613
   94   2HB   PRO  15          3HB       PRO  15 -13.937  -7.414  -4.762
   95   1HG   PRO  15          2HG       PRO  15 -14.874  -5.317  -6.623
   96   2HG   PRO  15          3HG       PRO  15 -15.699  -6.773  -6.105
   97   1HD   PRO  15          2HD       PRO  15 -16.202  -4.100  -5.195
   98   2HD   PRO  15          3HD       PRO  15 -16.945  -5.568  -4.594
   99    HA   PRO  16           HA       PRO  16 -11.319  -2.372  -3.033
  100   1HB   PRO  16          2HB       PRO  16  -9.408  -3.083  -1.213
  101   2HB   PRO  16          3HB       PRO  16 -10.939  -2.361  -0.762
  102   1HG   PRO  16          2HG       PRO  16 -10.072  -5.176  -0.511
  103   2HG   PRO  16          3HG       PRO  16 -11.393  -4.358   0.300
  104   1HD   PRO  16          2HD       PRO  16 -11.599  -6.176  -1.909
  105   2HD   PRO  16          3HD       PRO  16 -12.905  -5.269  -1.172
  106    H    GLY  17           HN       GLY  17  -9.877  -5.558  -3.241
  107   1HA   GLY  17          1HA       GLY  17  -8.469  -4.775  -5.620
  108   2HA   GLY  17          2HA       GLY  17  -7.411  -4.969  -4.237
  109    H    ALA  18           HN       ALA  18  -8.858  -6.573  -6.838
  110    HA   ALA  18           HA       ALA  18  -9.131  -9.131  -5.525
  111   1HB   ALA  18          1HB       ALA  18 -10.169  -7.870  -7.834
  112   2HB   ALA  18          2HB       ALA  18  -9.152  -9.206  -8.426
  113   3HB   ALA  18          3HB       ALA  18 -10.475  -9.533  -7.280
  114    H    HIS  19           HN       HIS  19  -7.535 -10.628  -5.315
  115    HA   HIS  19           HA       HIS  19  -5.604 -11.128  -7.210
  116   1HB   HIS  19          2HB       HIS  19  -5.006  -8.766  -5.759
  117   2HB   HIS  19          3HB       HIS  19  -3.922 -10.004  -5.156
  118    HD1  HIS  19           HD1      HIS  19  -3.699  -7.424  -7.411
  119    HD2  HIS  19           HD2      HIS  19  -3.038 -11.543  -7.850
  120    HE1  HIS  19           HE1      HIS  19  -2.182  -7.692  -9.445
  121    H    GLY  20           HN       GLY  20  -6.442 -13.207  -6.567
  122   1HA   GLY  20          1HA       GLY  20  -6.632 -14.276  -4.076
  123   2HA   GLY  20          2HA       GLY  20  -6.170 -15.179  -5.505
  124    H    GLU  21           HN       GLU  21  -3.694 -13.304  -5.778
  125    HA   GLU  21           HA       GLU  21  -1.853 -14.986  -4.741
  126   1HB   GLU  21          2HB       GLU  21  -1.702 -12.845  -6.327
  127   2HB   GLU  21          3HB       GLU  21  -1.230 -12.035  -4.846
  128   1HG   GLU  21          2HG       GLU  21   0.845 -12.754  -5.693
  129   2HG   GLU  21          3HG       GLU  21   0.461 -14.022  -4.545
  130    HE2  GLU  21           HE2      GLU  21   0.649 -14.784  -8.431
  131    H    CYS  22           HN       CYS  22  -3.827 -12.640  -3.060
  132    HA   CYS  22           HA       CYS  22  -2.333 -13.252  -0.625
  133   1HB   CYS  22          2HB       CYS  22  -1.794 -10.949  -1.476
  134   2HB   CYS  22          3HB       CYS  22  -3.479 -10.525  -1.247
  135    H    TYR  23           HN       TYR  23  -5.219 -11.194  -1.401
  136    HA   TYR  23           HA       TYR  23  -6.769 -12.814   0.462
  137   1HB   TYR  23          2HB       TYR  23  -6.977 -10.117  -0.984
  138   2HB   TYR  23          3HB       TYR  23  -8.387 -10.784  -0.184
  139    HD1  TYR  23           HD1      TYR  23  -7.025 -12.004   2.235
  140    HD2  TYR  23           HD2      TYR  23  -6.551  -8.201   0.333
  141    HE1  TYR  23           HE1      TYR  23  -6.251 -10.992   4.435
  142    HE2  TYR  23           HE2      TYR  23  -5.779  -7.202   2.539
  143    HH   TYR  23           HH       TYR  23  -5.549  -7.525   4.676
  144    HA   PRO  24           HA       PRO  24  -9.165 -14.633  -2.644
  145   1HB   PRO  24          2HB       PRO  24 -11.588 -14.954  -1.421
  146   2HB   PRO  24          3HB       PRO  24 -10.224 -16.019  -1.142
  147   1HG   PRO  24          2HG       PRO  24 -11.317 -13.907   0.614
  148   2HG   PRO  24          3HG       PRO  24 -10.258 -15.240   1.029
  149   1HD   PRO  24          2HD       PRO  24  -9.506 -12.493   0.690
  150   2HD   PRO  24          3HD       PRO  24  -8.431 -13.845   0.990
  151    H    GLN  25           HN       GLN  25  -9.284 -11.540  -2.127
  152    HA   GLN  25           HA       GLN  25 -11.689 -10.616  -2.884
  153   1HB   GLN  25          2HB       GLN  25  -8.900  -9.641  -3.607
  154   2HB   GLN  25          3HB       GLN  25 -10.337  -8.726  -4.018
  155   1HG   GLN  25          2HG       GLN  25  -9.337  -9.471  -1.241
  156   2HG   GLN  25          3HG       GLN  25  -9.559  -7.864  -1.904
  157   1HE2  GLN  25          1HE2      GLN  25 -10.788 -10.028   0.174
  158   2HE2  GLN  25          2HE2      GLN  25 -12.463  -9.589   0.201
  159    H    ASP  26           HN       ASP  26  -9.440 -12.516  -4.782
  160    HA   ASP  26           HA       ASP  26  -9.977 -11.731  -7.310
  161   1HB   ASP  26          2HB       ASP  26  -8.358 -13.507  -6.679
  162   2HB   ASP  26          3HB       ASP  26  -9.675 -14.573  -6.230
  163    HD2  ASP  26           HD2      ASP  26  -8.932 -16.047  -7.706
  164    H    TRP  27           HN       TRP  27 -11.859 -13.874  -5.092
  165    HA   TRP  27           HA       TRP  27 -13.687 -14.984  -6.736
  166   1HB   TRP  27          2HB       TRP  27 -13.829 -13.944  -3.935
  167   2HB   TRP  27          3HB       TRP  27 -15.296 -14.510  -4.709
  168    HD1  TRP  27           HD1      TRP  27 -11.999 -15.826  -3.270
  169    HE1  TRP  27           HE1      TRP  27 -12.005 -18.458  -3.077
  170    HE3  TRP  27           HE3      TRP  27 -16.316 -16.532  -5.862
  171    HZ2  TRP  27           HZ2      TRP  27 -13.774 -20.494  -4.009
  172    HZ3  TRP  27           HZ3      TRP  27 -17.113 -18.873  -6.176
  173    HH2  TRP  27           HH2      TRP  27 -15.918 -20.816  -5.298
  174    H    LEU  28           HN       LEU  28 -13.546 -11.595  -5.511
  175    HA   LEU  28           HA       LEU  28 -16.024 -10.841  -6.642
  176   1HB   LEU  28          2HB       LEU  28 -13.668  -9.130  -5.839
  177   2HB   LEU  28          3HB       LEU  28 -15.306  -8.576  -6.124
  178    HG   LEU  28           HG       LEU  28 -15.705 -10.501  -4.203
  179   1HD1  LEU  28          1HD1      LEU  28 -13.896  -9.579  -2.461
  180   2HD1  LEU  28          2HD1      LEU  28 -13.631 -11.032  -3.454
  181   3HD1  LEU  28          3HD1      LEU  28 -12.924  -9.475  -3.949
  182   1HD2  LEU  28          1HD2      LEU  28 -16.585  -8.790  -3.033
  183   2HD2  LEU  28          2HD2      LEU  28 -15.112  -7.798  -3.159
  184   3HD2  LEU  28          3HD2      LEU  28 -16.257  -7.869  -4.521
  185    H    CYS  29           HN       CYS  29 -16.321  -9.303  -8.458
  186    HA   CYS  29           HA       CYS  29 -16.200  -9.070 -10.660
  187   1HB   CYS  29          2HB       CYS  29 -13.788  -7.939  -9.453
  188   2HB   CYS  29          3HB       CYS  29 -13.588  -8.299 -11.156
  189    H    ASP  30           HN       ASP  30 -16.501 -11.408 -11.098
  190    HA   ASP  30           HA       ASP  30 -14.107 -12.486 -12.329
  191   1HB   ASP  30          2HB       ASP  30 -15.011 -14.804 -11.500
  192   2HB   ASP  30          3HB       ASP  30 -14.091 -13.810 -10.387
  193    H    GLY  31           HN       GLY  31 -17.627 -13.173 -11.632
  194   1HA   GLY  31          1HA       GLY  31 -18.514 -12.818 -14.267
  195   2HA   GLY  31          2HA       GLY  31 -18.155 -14.519 -14.042
  196    H    HIS  32           HN       HIS  32 -18.792 -14.716 -11.206
  197    HA   HIS  32           HA       HIS  32 -21.650 -14.087 -11.263
  198   1HB   HIS  32          2HB       HIS  32 -21.630 -16.378  -9.831
  199   2HB   HIS  32          3HB       HIS  32 -21.972 -16.289 -11.547
  200    HD1  HIS  32           HD1      HIS  32 -19.385 -17.452  -9.092
  201    HD2  HIS  32           HD2      HIS  32 -19.897 -17.250 -13.251
  202    HE1  HIS  32           HE1      HIS  32 -17.562 -18.919 -10.109
  203    HA   PRO  33           HA       PRO  33 -20.696 -12.385  -7.388
  204   1HB   PRO  33          2HB       PRO  33 -23.226 -11.811  -6.531
  205   2HB   PRO  33          3HB       PRO  33 -22.327 -10.777  -7.622
  206   1HG   PRO  33          2HG       PRO  33 -24.572 -12.601  -8.227
  207   2HG   PRO  33          3HG       PRO  33 -23.950 -11.271  -9.184
  208   1HD   PRO  33          2HD       PRO  33 -23.507 -14.068  -9.642
  209   2HD   PRO  33          3HD       PRO  33 -22.793 -12.735 -10.526
  210    H    ASP  34           HN       ASP  34 -20.609 -12.770  -5.136
  211    HA   ASP  34           HA       ASP  34 -22.093 -15.096  -4.322
  212   1HB   ASP  34          2HB       ASP  34 -19.139 -15.039  -3.683
  213   2HB   ASP  34          3HB       ASP  34 -20.228 -16.412  -3.703
  214    H    CYS  35           HN       CYS  35 -22.099 -12.176  -3.734
  215    HA   CYS  35           HA       CYS  35 -21.001 -12.154  -1.025
  216   1HB   CYS  35          2HB       CYS  35 -21.539 -10.025  -3.052
  217   2HB   CYS  35          3HB       CYS  35 -21.657  -9.608  -1.354
  218    H    ASP  36           HN       ASP  36 -22.624 -10.259   0.189
  219    HA   ASP  36           HA       ASP  36 -24.676 -11.560   1.161
  220   1HB   ASP  36          2HB       ASP  36 -23.901  -9.197   1.724
  221   2HB   ASP  36          3HB       ASP  36 -24.850  -8.615   0.371
  222    HD2  ASP  36           HD2      ASP  36 -25.589 -10.854   2.975
  223    H    ASP  37           HN       ASP  37 -24.881  -9.318  -1.712
  224    HA   ASP  37           HA       ASP  37 -27.296 -10.766  -2.473
  225   1HB   ASP  37          2HB       ASP  37 -27.063  -8.060  -1.939
  226   2HB   ASP  37          3HB       ASP  37 -26.792  -8.081  -3.670
  227    HD2  ASP  37           HD2      ASP  37 -29.395  -8.338  -1.343
  228    H    GLY  38           HN       GLY  38 -24.474  -8.791  -3.662
  229   1HA   GLY  38          1HA       GLY  38 -23.109 -10.246  -5.275
  230   2HA   GLY  38          2HA       GLY  38 -24.580 -10.235  -6.228
  231    H    ARG  39           HN       ARG  39 -22.202  -8.035  -4.610
  232    HA   ARG  39           HA       ARG  39 -22.647  -6.227  -6.844
  233   1HB   ARG  39          2HB       ARG  39 -22.187  -4.321  -5.205
  234   2HB   ARG  39          3HB       ARG  39 -23.708  -5.152  -4.950
  235   1HG   ARG  39          2HG       ARG  39 -22.697  -6.516  -3.141
  236   2HG   ARG  39          3HG       ARG  39 -21.132  -5.782  -3.432
  237   1HD   ARG  39          2HD       ARG  39 -22.021  -4.566  -1.579
  238   2HD   ARG  39          3HD       ARG  39 -22.263  -3.502  -2.950
  239    HE   ARG  39           HE       ARG  39 -24.543  -5.272  -2.496
  240   1HH1  ARG  39          1HH1      ARG  39 -26.564  -2.795  -1.138
  241   1HH2  ARG  39          2HH2      ARG  39 -23.055  -2.207  -1.522
  242   2HH2  ARG  39          1HH2      ARG  39 -24.546  -1.513  -0.978
  243    H    ASP  40           HN       ASP  40 -20.583  -8.393  -5.606
  244    HA   ASP  40           HA       ASP  40 -18.237  -6.864  -5.289
  245   1HB   ASP  40          2HB       ASP  40 -17.163  -9.225  -5.593
  246   2HB   ASP  40          3HB       ASP  40 -18.181  -8.950  -4.193
  247    H    GLU  41           HN       GLU  41 -20.151  -7.462  -7.961
  248    HA   GLU  41           HA       GLU  41 -18.006  -6.877  -9.738
  249   1HB   GLU  41          2HB       GLU  41 -18.340  -8.795 -11.240
  250   2HB   GLU  41          3HB       GLU  41 -17.854  -9.350  -9.650
  251   1HG   GLU  41          2HG       GLU  41 -20.476  -9.486  -9.207
  252   2HG   GLU  41          3HG       GLU  41 -20.582  -9.505 -10.957
  253    H    TRP  42           HN       TRP  42 -20.591  -5.749  -8.669
  254    HA   TRP  42           HA       TRP  42 -22.690  -5.937 -10.409
  255   1HB   TRP  42          2HB       TRP  42 -21.977  -4.361  -8.229
  256   2HB   TRP  42          3HB       TRP  42 -22.232  -3.205  -9.521
  257    HD1  TRP  42           HD1      TRP  42 -24.174  -4.762  -6.892
  258    HE1  TRP  42           HE1      TRP  42 -26.779  -4.797  -7.313
  259    HE3  TRP  42           HE3      TRP  42 -23.915  -3.737 -11.866
  260    HZ2  TRP  42           HZ2      TRP  42 -28.403  -4.401  -9.626
  261    HZ3  TRP  42           HZ3      TRP  42 -26.057  -3.578 -13.132
  262    HH2  TRP  42           HH2      TRP  42 -28.246  -3.891 -12.091
  263    H    GLY  43           HN       GLY  43 -20.531  -3.030 -10.450
  264   1HA   GLY  43          1HA       GLY  43 -21.010  -2.643 -13.254
  265   2HA   GLY  43          2HA       GLY  43 -20.005  -1.677 -12.192
  266    H    CYS  44           HN       CYS  44 -19.936  -5.198 -13.107
  267    HA   CYS  44           HA       CYS  44 -17.198  -4.727 -14.040
  268   1HB   CYS  44          2HB       CYS  44 -17.786  -6.150 -11.818
  269   2HB   CYS  44          3HB       CYS  44 -17.896  -7.421 -13.020
  270    H    GLY  45           HN       GLY  45 -20.267  -6.618 -14.243
  271   1HA   GLY  45          1HA       GLY  45 -19.777  -8.296 -16.336
  272   2HA   GLY  45          2HA       GLY  45 -21.318  -7.523 -16.018
  273    H    THR  46           HN       THR  46 -18.523  -7.654 -18.095
  274    HA   THR  46           HA       THR  46 -19.688  -5.492 -19.715
  275    HB   THR  46           HB       THR  46 -17.701  -4.576 -18.616
  276    HG1  THR  46           HG1      THR  46 -17.620  -3.987 -20.788
  277   1HG2  THR  46          1HG2      THR  46 -15.494  -5.928 -19.525
  278   2HG2  THR  46          2HG2      THR  46 -16.188  -6.188 -17.907
  279   3HG2  THR  46          3HG2      THR  46 -16.598  -7.295 -19.239
  280    H    SER  47           HN       SER  47 -20.791  -7.653 -20.420
  281    HA   SER  47           HA       SER  47 -19.426  -9.598 -21.717
  282   1HB   SER  47          2HB       SER  47 -21.842  -9.692 -21.287
  283   2HB   SER  47          3HB       SER  47 -22.133  -8.369 -22.398
  284    HG   SER  47           HG       SER  47 -20.724 -10.566 -23.486
  Start of MODEL   20
    1    H    GLY   1           HN       GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   1.401  -0.208  -2.078
    3   2HA   GLY   1          2HA       GLY   1   2.498   0.989  -1.419
    4    H    SER   2           HN       SER   2   2.068  -2.350  -2.338
    5    HA   SER   2           HA       SER   2   4.829  -2.784  -2.232
    6   1HB   SER   2          2HB       SER   2   3.943  -3.124   0.239
    7   2HB   SER   2          3HB       SER   2   3.338  -4.651  -0.374
    8    HG   SER   2           HG       SER   2   5.759  -4.240   0.520
    9    H    SER   3           HN       SER   3   1.575  -4.386  -2.075
   10    HA   SER   3           HA       SER   3   2.392  -5.879  -4.441
   11   1HB   SER   3          2HB       SER   3   2.348  -7.517  -2.706
   12   2HB   SER   3          3HB       SER   3   0.909  -6.836  -1.973
   13    HG   SER   3           HG       SER   3   1.159  -8.503  -4.276
   14    H    ARG   4           HN       ARG   4  -0.324  -4.555  -2.447
   15    HA   ARG   4           HA       ARG   4  -2.068  -4.745  -4.712
   16   1HB   ARG   4          2HB       ARG   4  -3.817  -3.992  -3.170
   17   2HB   ARG   4          3HB       ARG   4  -2.860  -5.216  -2.361
   18   1HG   ARG   4          2HG       ARG   4  -1.461  -2.956  -1.652
   19   2HG   ARG   4          3HG       ARG   4  -3.076  -2.291  -1.791
   20   1HD   ARG   4          2HD       ARG   4  -3.879  -3.484   0.024
   21   2HD   ARG   4          3HD       ARG   4  -2.903  -4.895  -0.331
   22    HE   ARG   4           HE       ARG   4  -2.116  -2.585   1.312
   23   1HH1  ARG   4          1HH1      ARG   4   0.989  -3.922   2.110
   24   1HH2  ARG   4          2HH2      ARG   4  -0.973  -5.418  -0.483
   25   2HH2  ARG   4          1HH2      ARG   4   0.523  -5.519   0.385
   26    H    CYS   5           HN       CYS   5  -0.085  -3.149  -5.575
   27    HA   CYS   5           HA       CYS   5  -1.320  -0.768  -6.201
   28   1HB   CYS   5          2HB       CYS   5  -1.042  -0.021  -3.951
   29   2HB   CYS   5          3HB       CYS   5   0.637  -0.521  -3.916
   30    HA   PRO   6           HA       PRO   6   2.325  -2.151  -8.536
   31   1HB   PRO   6          2HB       PRO   6   1.097  -2.489 -10.954
   32   2HB   PRO   6          3HB       PRO   6   1.325  -3.792  -9.804
   33   1HG   PRO   6          2HG       PRO   6  -1.147  -2.308 -10.459
   34   2HG   PRO   6          3HG       PRO   6  -0.976  -3.856  -9.656
   35   1HD   PRO   6          2HD       PRO   6  -1.566  -1.336  -8.419
   36   2HD   PRO   6          3HD       PRO   6  -1.280  -2.862  -7.605
   37    HA   PRO   7           HA       PRO   7   3.259   1.515 -10.467
   38   1HB   PRO   7          2HB       PRO   7   4.751   0.861 -12.662
   39   2HB   PRO   7          3HB       PRO   7   5.399   0.883 -11.034
   40   1HG   PRO   7          2HG       PRO   7   4.675  -1.442 -12.709
   41   2HG   PRO   7          3HG       PRO   7   5.698  -1.390 -11.287
   42   1HD   PRO   7          2HD       PRO   7   2.993  -2.336 -11.422
   43   2HD   PRO   7          3HD       PRO   7   3.976  -2.175  -9.981
   44    H    GLY   8           HN       GLY   8   2.549   3.152 -11.811
   45   1HA   GLY   8          1HA       GLY   8   1.458   2.649 -14.343
   46   2HA   GLY   8          2HA       GLY   8   0.155   2.593 -13.172
   47    H    GLN   9           HN       GLN   9   2.848   4.623 -14.433
   48    HA   GLN   9           HA       GLN   9   1.291   6.928 -13.557
   49   1HB   GLN   9          2HB       GLN   9   3.561   8.120 -13.361
   50   2HB   GLN   9          3HB       GLN   9   3.180   6.952 -12.112
   51   1HG   GLN   9          2HG       GLN   9   4.553   5.235 -13.229
   52   2HG   GLN   9          3HG       GLN   9   4.838   6.297 -14.593
   53   1HE2  GLN   9          1HE2      GLN   9   7.082   5.822 -14.054
   54   2HE2  GLN   9          2HE2      GLN   9   7.910   6.795 -12.885
   55    H    PHE  10           HN       PHE  10   1.216   5.429 -16.108
   56    HA   PHE  10           HA       PHE  10   2.769   6.756 -18.038
   57   1HB   PHE  10          2HB       PHE  10   1.102   5.630 -19.567
   58   2HB   PHE  10          3HB       PHE  10   1.666   4.528 -18.326
   59    HD1  PHE  10           HD1      PHE  10  -0.311   6.550 -16.472
   60    HD2  PHE  10           HD2      PHE  10  -0.688   3.718 -19.610
   61    HE1  PHE  10           HE1      PHE  10  -2.684   6.106 -15.787
   62    HE2  PHE  10           HE2      PHE  10  -3.061   3.275 -18.925
   63    HZ   PHE  10           HZ       PHE  10  -4.031   4.474 -17.021
   64    H    ARG  11           HN       ARG  11   0.565   7.280 -19.967
   65    HA   ARG  11           HA       ARG  11  -0.270   9.820 -18.819
   66   1HB   ARG  11          2HB       ARG  11   1.175   9.292 -21.179
   67   2HB   ARG  11          3HB       ARG  11  -0.450   9.591 -21.761
   68   1HG   ARG  11          2HG       ARG  11  -0.206  11.631 -19.932
   69   2HG   ARG  11          3HG       ARG  11   1.464  11.462 -20.433
   70   1HD   ARG  11          2HD       ARG  11  -0.891  11.812 -22.352
   71   2HD   ARG  11          3HD       ARG  11   0.175  13.106 -21.843
   72    HE   ARG  11           HE       ARG  11   1.843  11.047 -22.832
   73   1HH1  ARG  11          1HH1      ARG  11   1.948  11.944 -26.186
   74   1HH2  ARG  11          2HH2      ARG  11  -0.672  13.198 -24.096
   75   2HH2  ARG  11          1HH2      ARG  11  -0.030  13.208 -25.704
   76    H    CYS  12           HN       CYS  12  -1.529   6.949 -18.904
   77    HA   CYS  12           HA       CYS  12  -3.604   6.203 -18.879
   78   1HB   CYS  12          2HB       CYS  12  -4.236   8.573 -18.272
   79   2HB   CYS  12          3HB       CYS  12  -4.578   8.847 -19.968
   80    H    SER  13           HN       SER  13  -2.040   5.309 -20.840
   81    HA   SER  13           HA       SER  13  -3.836   5.258 -23.104
   82   1HB   SER  13          2HB       SER  13  -1.769   5.370 -24.640
   83   2HB   SER  13          3HB       SER  13  -2.303   6.876 -23.921
   84    HG   SER  13           HG       SER  13   0.089   5.497 -23.576
   85    H    GLU  14           HN       GLU  14  -2.593   3.584 -20.698
   86    HA   GLU  14           HA       GLU  14  -2.854   1.135 -21.862
   87   1HB   GLU  14          2HB       GLU  14  -0.398   0.364 -21.780
   88   2HB   GLU  14          3HB       GLU  14  -0.869   1.351 -23.149
   89   1HG   GLU  14          2HG       GLU  14  -0.034   3.394 -21.850
   90   2HG   GLU  14          3HG       GLU  14   0.602   2.292 -20.646
   91    HE2  GLU  14           HE2      GLU  14   2.689   2.059 -21.013
   92    HA   PRO  15           HA       PRO  15  -2.870   0.787 -17.481
   93   1HB   PRO  15          2HB       PRO  15  -4.349  -1.507 -17.331
   94   2HB   PRO  15          3HB       PRO  15  -5.064   0.090 -17.437
   95   1HG   PRO  15          2HG       PRO  15  -4.843  -1.984 -19.531
   96   2HG   PRO  15          3HG       PRO  15  -5.900  -0.588 -19.476
   97   1HD   PRO  15          2HD       PRO  15  -3.511  -0.871 -21.038
   98   2HD   PRO  15          3HD       PRO  15  -4.505   0.565 -20.893
   99    HA   PRO  16           HA       PRO  16   0.561  -1.832 -17.330
  100   1HB   PRO  16          2HB       PRO  16   1.738  -0.737 -15.121
  101   2HB   PRO  16          3HB       PRO  16   2.030  -0.158 -16.749
  102   1HG   PRO  16          2HG       PRO  16   0.387   1.061 -14.615
  103   2HG   PRO  16          3HG       PRO  16   1.031   1.806 -16.065
  104   1HD   PRO  16          2HD       PRO  16  -1.678   0.974 -15.621
  105   2HD   PRO  16          3HD       PRO  16  -1.008   1.611 -17.109
  106    H    GLY  17           HN       GLY  17  -0.918  -0.907 -14.251
  107   1HA   GLY  17          1HA       GLY  17  -1.178  -3.797 -13.690
  108   2HA   GLY  17          2HA       GLY  17  -0.537  -2.682 -12.500
  109    H    ALA  18           HN       ALA  18  -3.369  -2.844 -14.787
  110    HA   ALA  18           HA       ALA  18  -5.067  -1.161 -13.560
  111   1HB   ALA  18          1HB       ALA  18  -6.843  -2.966 -14.327
  112   2HB   ALA  18          2HB       ALA  18  -5.852  -2.109 -15.532
  113   3HB   ALA  18          3HB       ALA  18  -5.417  -3.762 -15.036
  114    H    HIS  19           HN       HIS  19  -5.681  -0.915 -11.475
  115    HA   HIS  19           HA       HIS  19  -6.956  -2.885 -10.045
  116   1HB   HIS  19          2HB       HIS  19  -4.161  -3.312 -10.036
  117   2HB   HIS  19          3HB       HIS  19  -4.551  -2.657  -8.458
  118    HD1  HIS  19           HD1      HIS  19  -4.763  -4.570  -6.874
  119    HD2  HIS  19           HD2      HIS  19  -6.520  -5.407 -10.590
  120    HE1  HIS  19           HE1      HIS  19  -5.813  -6.886  -6.663
  121    H    GLY  20           HN       GLY  20  -8.331  -1.095  -9.685
  122   1HA   GLY  20          1HA       GLY  20  -7.740   1.439  -8.952
  123   2HA   GLY  20          2HA       GLY  20  -9.134   0.554  -8.365
  124    H    GLU  21           HN       GLU  21  -7.133  -1.489  -7.087
  125    HA   GLU  21           HA       GLU  21  -7.326  -0.786  -4.551
  126   1HB   GLU  21          2HB       GLU  21  -6.054  -2.795  -5.894
  127   2HB   GLU  21          3HB       GLU  21  -4.661  -1.943  -5.258
  128   1HG   GLU  21          2HG       GLU  21  -5.140  -2.498  -3.072
  129   2HG   GLU  21          3HG       GLU  21  -6.870  -2.332  -3.295
  130    HE2  GLU  21           HE2      GLU  21  -5.874  -5.083  -2.173
  131    H    CYS  22           HN       CYS  22  -4.875   0.430  -6.870
  132    HA   CYS  22           HA       CYS  22  -4.059   2.332  -4.796
  133   1HB   CYS  22          2HB       CYS  22  -2.309   0.632  -5.302
  134   2HB   CYS  22          3HB       CYS  22  -2.286   1.189  -6.963
  135    H    TYR  23           HN       TYR  23  -3.388   1.925  -8.342
  136    HA   TYR  23           HA       TYR  23  -4.204   4.677  -8.757
  137   1HB   TYR  23          2HB       TYR  23  -2.443   2.613  -9.884
  138   2HB   TYR  23          3HB       TYR  23  -3.504   3.191 -11.153
  139    HD1  TYR  23           HD1      TYR  23  -3.145   5.301 -12.190
  140    HD2  TYR  23           HD2      TYR  23  -0.992   4.286  -8.635
  141    HE1  TYR  23           HE1      TYR  23  -1.642   7.326 -12.513
  142    HE2  TYR  23           HE2      TYR  23   0.503   6.314  -8.970
  143    HH   TYR  23           HH       TYR  23   1.068   7.735 -11.504
  144    HA   PRO  24           HA       PRO  24  -8.027   3.663 -10.512
  145   1HB   PRO  24          2HB       PRO  24  -8.478   5.836 -12.105
  146   2HB   PRO  24          3HB       PRO  24  -8.752   5.844 -10.374
  147   1HG   PRO  24          2HG       PRO  24  -6.542   7.072 -11.907
  148   2HG   PRO  24          3HG       PRO  24  -7.066   7.414 -10.270
  149   1HD   PRO  24          2HD       PRO  24  -4.771   5.881 -11.053
  150   2HD   PRO  24          3HD       PRO  24  -5.361   6.127  -9.421
  151    H    GLN  25           HN       GLN  25  -5.574   2.616 -11.782
  152    HA   GLN  25           HA       GLN  25  -5.747   2.856 -14.496
  153   1HB   GLN  25          2HB       GLN  25  -4.812   0.571 -12.721
  154   2HB   GLN  25          3HB       GLN  25  -4.663   0.501 -14.466
  155   1HG   GLN  25          2HG       GLN  25  -3.075   2.222 -14.550
  156   2HG   GLN  25          3HG       GLN  25  -3.658   2.983 -13.083
  157   1HE2  GLN  25          1HE2      GLN  25  -3.621   1.272 -11.154
  158   2HE2  GLN  25          2HE2      GLN  25  -2.075   0.540 -10.881
  159    H    ASP  26           HN       ASP  26  -7.880   1.220 -12.255
  160    HA   ASP  26           HA       ASP  26  -8.867  -0.815 -13.728
  161   1HB   ASP  26          2HB       ASP  26  -9.938  -0.789 -11.704
  162   2HB   ASP  26          3HB       ASP  26  -9.839   0.955 -11.570
  163    HD2  ASP  26           HD2      ASP  26 -12.485  -1.099 -13.521
  164    H    TRP  27           HN       TRP  27  -9.727   2.707 -13.782
  165    HA   TRP  27           HA       TRP  27 -11.897   2.753 -15.381
  166   1HB   TRP  27          2HB       TRP  27  -9.523   4.581 -15.181
  167   2HB   TRP  27          3HB       TRP  27 -10.813   4.915 -16.319
  168    HD1  TRP  27           HD1      TRP  27 -10.405   4.405 -12.471
  169    HE1  TRP  27           HE1      TRP  27 -12.216   5.801 -11.154
  170    HE3  TRP  27           HE3      TRP  27 -12.879   6.070 -16.590
  171    HZ2  TRP  27           HZ2      TRP  27 -14.430   7.409 -11.964
  172    HZ3  TRP  27           HZ3      TRP  27 -14.855   7.549 -16.239
  173    HH2  TRP  27           HH2      TRP  27 -15.639   8.221 -14.024
  174    H    LEU  28           HN       LEU  28  -8.510   1.998 -16.232
  175    HA   LEU  28           HA       LEU  28  -9.027   2.047 -19.048
  176   1HB   LEU  28          2HB       LEU  28  -6.683   1.026 -17.438
  177   2HB   LEU  28          3HB       LEU  28  -6.735   1.124 -19.187
  178    HG   LEU  28           HG       LEU  28  -7.370   3.700 -18.486
  179   1HD1  LEU  28          1HD1      LEU  28  -5.996   4.460 -16.710
  180   2HD1  LEU  28          2HD1      LEU  28  -6.916   3.071 -16.083
  181   3HD1  LEU  28          3HD1      LEU  28  -5.208   2.872 -16.541
  182   1HD2  LEU  28          1HD2      LEU  28  -5.851   3.381 -20.207
  183   2HD2  LEU  28          2HD2      LEU  28  -4.844   4.097 -18.926
  184   3HD2  LEU  28          3HD2      LEU  28  -4.790   2.343 -19.224
  185    H    CYS  29           HN       CYS  29  -9.041   0.192 -20.468
  186    HA   CYS  29           HA       CYS  29  -9.932  -1.733 -21.065
  187   1HB   CYS  29          2HB       CYS  29  -7.802  -2.604 -20.530
  188   2HB   CYS  29          3HB       CYS  29  -8.132  -2.599 -18.809
  189    H    ASP  30           HN       ASP  30 -12.103  -0.871 -20.385
  190    HA   ASP  30           HA       ASP  30 -13.135  -2.532 -18.237
  191   1HB   ASP  30          2HB       ASP  30 -14.743  -0.465 -17.843
  192   2HB   ASP  30          3HB       ASP  30 -13.164  -0.502 -17.086
  193    H    GLY  31           HN       GLY  31 -14.253   0.027 -20.594
  194   1HA   GLY  31          1HA       GLY  31 -15.487  -1.690 -22.413
  195   2HA   GLY  31          2HA       GLY  31 -16.687  -1.260 -21.211
  196    H    HIS  32           HN       HIS  32 -15.479   1.416 -20.622
  197    HA   HIS  32           HA       HIS  32 -16.225   2.721 -23.139
  198   1HB   HIS  32          2HB       HIS  32 -17.607   2.850 -20.796
  199   2HB   HIS  32          3HB       HIS  32 -16.533   4.222 -20.604
  200    HD1  HIS  32           HD1      HIS  32 -18.817   5.655 -20.771
  201    HD2  HIS  32           HD2      HIS  32 -17.593   3.708 -24.280
  202    HE1  HIS  32           HE1      HIS  32 -20.116   6.739 -22.681
  203    HA   PRO  33           HA       PRO  33 -12.140   4.234 -22.810
  204   1HB   PRO  33          2HB       PRO  33 -12.048   5.517 -25.222
  205   2HB   PRO  33          3HB       PRO  33 -11.707   3.808 -25.031
  206   1HG   PRO  33          2HG       PRO  33 -14.121   5.103 -26.141
  207   2HG   PRO  33          3HG       PRO  33 -13.581   3.447 -26.325
  208   1HD   PRO  33          2HD       PRO  33 -15.681   4.386 -24.612
  209   2HD   PRO  33          3HD       PRO  33 -15.063   2.750 -24.712
  210    H    ASP  34           HN       ASP  34 -11.391   5.836 -21.581
  211    HA   ASP  34           HA       ASP  34 -12.542   8.423 -22.150
  212   1HB   ASP  34          2HB       ASP  34 -12.214   8.077 -19.268
  213   2HB   ASP  34          3HB       ASP  34 -13.611   8.655 -20.155
  214    H    CYS  35           HN       CYS  35  -9.928   7.083 -22.638
  215    HA   CYS  35           HA       CYS  35  -8.209   8.369 -20.667
  216   1HB   CYS  35          2HB       CYS  35  -8.032   5.964 -22.286
  217   2HB   CYS  35          3HB       CYS  35  -6.618   6.977 -22.498
  218    H    ASP  36           HN       ASP  36  -5.926   8.759 -22.337
  219    HA   ASP  36           HA       ASP  36  -6.147  11.211 -23.220
  220   1HB   ASP  36          2HB       ASP  36  -4.237   9.270 -23.434
  221   2HB   ASP  36          3HB       ASP  36  -4.691   9.401 -25.121
  222    HD2  ASP  36           HD2      ASP  36  -1.936  11.267 -24.824
  223    H    ASP  37           HN       ASP  37  -6.678   8.261 -25.301
  224    HA   ASP  37           HA       ASP  37  -8.245   9.977 -27.064
  225   1HB   ASP  37          2HB       ASP  37  -5.993   8.568 -27.749
  226   2HB   ASP  37          3HB       ASP  37  -7.211   7.347 -28.061
  227    HD2  ASP  37           HD2      ASP  37  -8.726   7.827 -29.653
  228    H    GLY  38           HN       GLY  38  -7.713   6.511 -26.041
  229   1HA   GLY  38          1HA       GLY  38  -9.907   5.768 -24.841
  230   2HA   GLY  38          2HA       GLY  38 -10.563   5.956 -26.455
  231    H    ARG  39           HN       ARG  39  -7.294   4.785 -25.409
  232    HA   ARG  39           HA       ARG  39  -7.922   2.343 -26.860
  233   1HB   ARG  39          2HB       ARG  39  -5.210   2.242 -26.651
  234   2HB   ARG  39          3HB       ARG  39  -6.023   3.049 -27.977
  235   1HG   ARG  39          2HG       ARG  39  -5.909   5.216 -26.740
  236   2HG   ARG  39          3HG       ARG  39  -5.120   4.415 -25.396
  237   1HD   ARG  39          2HD       ARG  39  -4.013   4.596 -28.241
  238   2HD   ARG  39          3HD       ARG  39  -3.468   5.553 -26.877
  239    HE   ARG  39           HE       ARG  39  -3.337   2.736 -26.238
  240   1HH1  ARG  39          1HH1      ARG  39   0.061   2.360 -26.854
  241   1HH2  ARG  39          2HH2      ARG  39  -1.655   5.251 -28.082
  242   2HH2  ARG  39          1HH2      ARG  39  -0.119   4.456 -28.004
  243    H    ASP  40           HN       ASP  40  -7.594   3.673 -23.764
  244    HA   ASP  40           HA       ASP  40  -6.032   2.067 -22.321
  245   1HB   ASP  40          2HB       ASP  40  -7.597   2.441 -20.432
  246   2HB   ASP  40          3HB       ASP  40  -7.370   3.905 -21.369
  247    H    GLU  41           HN       GLU  41  -9.101   1.298 -23.942
  248    HA   GLU  41           HA       GLU  41  -8.891  -1.405 -22.866
  249   1HB   GLU  41          2HB       GLU  41 -11.364  -1.580 -23.041
  250   2HB   GLU  41          3HB       GLU  41 -10.879  -0.312 -21.933
  251   1HG   GLU  41          2HG       GLU  41 -11.000   1.102 -24.298
  252   2HG   GLU  41          3HG       GLU  41 -12.245  -0.099 -24.578
  253    H    TRP  42           HN       TRP  42  -7.651  -0.167 -25.286
  254    HA   TRP  42           HA       TRP  42  -9.007  -0.637 -27.616
  255   1HB   TRP  42          2HB       TRP  42  -6.901   0.487 -27.594
  256   2HB   TRP  42          3HB       TRP  42  -6.078  -0.917 -26.944
  257    HD1  TRP  42           HD1      TRP  42  -8.124  -0.158 -30.202
  258    HE1  TRP  42           HE1      TRP  42  -7.008  -1.340 -32.281
  259    HE3  TRP  42           HE3      TRP  42  -4.397  -2.415 -27.581
  260    HZ2  TRP  42           HZ2      TRP  42  -4.742  -3.048 -32.588
  261    HZ3  TRP  42           HZ3      TRP  42  -2.775  -3.823 -28.846
  262    HH2  TRP  42           HH2      TRP  42  -2.904  -4.156 -31.264
  263    H    GLY  43           HN       GLY  43  -6.320  -2.888 -26.920
  264   1HA   GLY  43          1HA       GLY  43  -7.831  -5.098 -27.955
  265   2HA   GLY  43          2HA       GLY  43  -6.183  -5.108 -27.360
  266    H    CYS  44           HN       CYS  44  -9.367  -4.231 -25.830
  267    HA   CYS  44           HA       CYS  44  -8.818  -6.320 -23.857
  268   1HB   CYS  44          2HB       CYS  44  -8.225  -4.338 -22.725
  269   2HB   CYS  44          3HB       CYS  44  -9.599  -3.455 -23.360
  270    H    GLY  45           HN       GLY  45 -11.178  -4.060 -25.419
  271   1HA   GLY  45          1HA       GLY  45 -13.558  -5.071 -24.518
  272   2HA   GLY  45          2HA       GLY  45 -13.296  -4.385 -26.110
  273    H    THR  46           HN       THR  46 -14.965  -6.755 -25.106
  274    HA   THR  46           HA       THR  46 -13.692  -8.892 -26.669
  275    HB   THR  46           HB       THR  46 -14.957 -10.391 -25.305
  276    HG1  THR  46           HG1      THR  46 -16.448  -7.965 -24.588
  277   1HG2  THR  46          1HG2      THR  46 -14.565  -7.943 -23.505
  278   2HG2  THR  46          2HG2      THR  46 -14.736  -9.630 -22.965
  279   3HG2  THR  46          3HG2      THR  46 -13.290  -9.129 -23.874
  280    H    SER  47           HN       SER  47 -14.207  -8.887 -28.766
  281    HA   SER  47           HA       SER  47 -16.884  -7.985 -29.434
  282   1HB   SER  47          2HB       SER  47 -14.248  -8.051 -30.866
  283   2HB   SER  47          3HB       SER  47 -15.682  -8.255 -31.852
  284    HG   SER  47           HG       SER  47 -15.072  -6.008 -31.648