*HEADER    TOXIN                                   19-JUL-01   1JMN              
*TITLE     SOLUTION STRUCTURE OF THE VISCOTOXIN A2                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VISCOTOXIN A2;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: VISCUM ALBUM;                                   
*SOURCE   3 ORGANISM_COMMON: EUROPEAN MISTLETOE;                                 
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    THIONIN, NMR, VISCOTOXIN,  VISCUM ALBUM                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.MOSBAH, A.COULON, C.BERNARD, K.URECH, P.ROUGE, H.DARBON             
*REVDAT   1   24-JUN-03 1JMN    0                                                

 assign (resid    1 and  name HN   )(resid    1 and  name HG1  ) 3.8 2.0 0.0
 assign (resid    1 and  name HN   )(resid    1 and  name HG2  ) 3.8 2.0 0.0
 assign (resid    1 and  name HN   )(resid    1 and  name HD*  ) 6.9 5.1 0.0
 assign (resid    1 and  name HN   )(resid    1 and  name HE*  ) 5.2 3.4 0.0
 assign (resid    1 and  name HA   )(resid    1 and  name HG*  ) 3.7 1.9 0.0
 assign (resid    1 and  name HA   )(resid    1 and  name HD*  ) 4.7 2.9 0.0
 assign (resid    1 and  name HA   )(resid    1 and  name HE*  ) 7.5 5.7 0.0
 assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 2.5 0.7 0.0
 assign (resid    1 and  name HA   )(resid   10 and  name HE   ) 6.5 4.7 0.0
 assign (resid    1 and  name HB1  )(resid    2 and  name HN   ) 4.2 2.4 0.0
 assign (resid    1 and  name HB2  )(resid    2 and  name HN   ) 4.2 2.4 0.0
 assign (resid    1 and  name HB*  )(resid    1 and  name HE*  ) 4.7 2.9 0.0
 assign (resid    1 and  name HB*  )(resid    2 and  name HN   ) 3.8 2.0 0.0
 assign (resid    1 and  name HB*  )(resid    2 and  name HA   ) 5.7 3.9 0.0
 assign (resid    1 and  name HB*  )(resid   35 and  name HN   ) 7.2 5.4 0.0
 assign (resid    1 and  name HG*  )(resid    2 and  name HN   ) 5.1 3.3 0.0
 assign (resid    1 and  name HG*  )(resid   35 and  name HN   ) 5.2 3.4 0.0
 assign (resid    1 and  name HG*  )(resid   35 and  name HD2  ) 4.4 2.6 0.0
 assign (resid    1 and  name HG*  )(resid   35 and  name HD3  ) 4.4 2.6 0.0
 assign (resid    1 and  name HG*  )(resid   40 and  name HN   ) 5.5 3.7 0.0
 assign (resid    1 and  name HD*  )(resid    2 and  name HN   ) 5.7 3.9 0.0
 assign (resid    1 and  name HD*  )(resid   39 and  name HA   ) 4.8 3.0 0.0
 assign (resid    1 and  name HE*  )(resid   39 and  name HA   ) 4.4 2.6 0.0
 assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 2.8 1.0 0.0
 assign (resid    2 and  name HN   )(resid    2 and  name HB1  ) 4.1 2.3 0.0
 assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 4.1 2.3 0.0
 assign (resid    2 and  name HN   )(resid    2 and  name HB*  ) 3.7 1.9 0.0
 assign (resid    2 and  name HN   )(resid   34 and  name HD*  ) 7.5 5.7 0.0
 assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 2.4 0.6 0.0
 assign (resid    2 and  name HA   )(resid   35 and  name HN   ) 2.8 1.0 0.0
 assign (resid    2 and  name HA   )(resid   35 and  name HD2  ) 3.4 1.6 0.0
 assign (resid    2 and  name HA   )(resid   35 and  name HD3  ) 3.4 1.6 0.0
 assign (resid    2 and  name HB1  )(resid    3 and  name HN   ) 5.2 3.4 0.0
 assign (resid    2 and  name HB1  )(resid   34 and  name HD*  ) 4.1 2.3 0.0
 assign (resid    2 and  name HB2  )(resid    3 and  name HN   ) 5.2 3.4 0.0
 assign (resid    2 and  name HB2  )(resid   34 and  name HD*  ) 4.1 2.3 0.0
 assign (resid    2 and  name HB*  )(resid    3 and  name HN   ) 4.4 2.6 0.0
 assign (resid    2 and  name HB*  )(resid   34 and  name HD*  ) 3.8 2.0 0.0
 assign (resid    3 and  name N    )(resid   33 and  name O    ) 3.0 1.2 0.0
 assign (resid    3 and  name HN   )(resid    3 and  name HB*  ) 3.7 1.9 0.0
 assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 5.2 3.4 0.0
 assign (resid    3 and  name HN   )(resid   32 and  name HB*  ) 7.4 5.6 0.0
 assign (resid    3 and  name HN   )(resid   33 and  name HN   ) 3.4 1.6 0.0
 assign (resid    3 and  name HN   )(resid   33 and  name HG*  ) 6.8 5.0 0.0
 assign (resid    3 and  name HN   )(resid   33 and  name HD*  ) 7.5 5.7 0.0
 assign (resid    3 and  name HN   )(resid   33 and  name O    ) 2.0 0.2 0.0
 assign (resid    3 and  name HN   )(resid   34 and  name HA   ) 4.1 2.3 0.0
 assign (resid    3 and  name HN   )(resid   34 and  name HG*  ) 7.5 5.7 0.0
 assign (resid    3 and  name HN   )(resid   35 and  name HN   ) 5.4 3.6 0.0
 assign (resid    3 and  name HN   )(resid   35 and  name HD*  ) 5.8 4.0 0.0
 assign (resid    3 and  name HA   )(resid   44 and  name CG   ) 6.4 4.6 0.0
 assign (resid    3 and  name HA   )(resid   44 and  name CZ   ) 8.5 6.7 0.0
 assign (resid    3 and  name CB   )(resid   40 and  name SG   ) 3.1 1.3 0.0
 assign (resid    3 and  name HB*  )(resid    4 and  name HA   ) 5.8 4.0 0.0
 assign (resid    3 and  name HB*  )(resid   33 and  name HN   ) 5.9 4.1 0.0
 assign (resid    3 and  name HB*  )(resid   35 and  name HD2  ) 7.4 5.6 0.0
 assign (resid    3 and  name HB*  )(resid   35 and  name HD3  ) 6.7 4.9 0.0
 assign (resid    3 and  name HB*  )(resid   41 and  name HD*  ) 8.2 6.4 0.0
 assign (resid    3 and  name HB*  )(resid   41 and  name HD*  ) 8.2 6.4 0.0
 assign (resid    3 and  name HB*  )(resid   44 and  name CG   ) 9.5 7.7 0.0
 assign (resid    3 and  name HB*  )(resid   44 and  name CZ   ) 9.5 7.7 0.0
 assign (resid    3 and  name SG   )(resid   40 and  name CB   ) 3.1 1.3 0.0
 assign (resid    3 and  name SG   )(resid   40 and  name SG   ) 2.1 0.3 0.0
 assign (resid    3 and  name O    )(resid   33 and  name N    ) 3.0 1.2 0.0
 assign (resid    3 and  name O    )(resid   33 and  name HN   ) 2.0 0.2 0.0
 assign (resid    4 and  name HN   )(resid    4 and  name HB*  ) 3.5 1.7 0.0
 assign (resid    4 and  name HN   )(resid   10 and  name HE   ) 6.5 4.7 0.0
 assign (resid    4 and  name HN   )(resid   32 and  name HB*  ) 7.4 5.6 0.0
 assign (resid    4 and  name HN   )(resid   44 and  name HA   ) 6.5 4.7 0.0
 assign (resid    4 and  name HN   )(resid   44 and  name HB*  ) 7.4 5.6 0.0
 assign (resid    4 and  name HN   )(resid   44 and  name CG   ) 8.5 6.7 0.0
 assign (resid    4 and  name HN   )(resid   46 and  name HN   ) 3.4 1.6 0.0
 assign (resid    4 and  name HN   )(resid   46 and  name HB*  ) 6.1 4.3 0.0
 assign (resid    4 and  name HA   )(resid    5 and  name HD1  ) 3.3 1.5 0.0
 assign (resid    4 and  name HA   )(resid    5 and  name HD2  ) 3.3 1.5 0.0
 assign (resid    4 and  name HA   )(resid   32 and  name HA   ) 3.6 1.8 0.0
 assign (resid    4 and  name HA   )(resid   32 and  name HB1  ) 6.5 4.7 0.0
 assign (resid    4 and  name HA   )(resid   32 and  name HB2  ) 6.5 4.7 0.0
 assign (resid    4 and  name HA   )(resid   32 and  name HB*  ) 5.9 4.1 0.0
 assign (resid    4 and  name HA   )(resid   33 and  name HN   ) 5.3 3.5 0.0
 assign (resid    4 and  name HA   )(resid   44 and  name CG   ) 6.8 5.0 0.0
 assign (resid    4 and  name HA   )(resid   44 and  name CZ   ) 8.5 6.7 0.0
 assign (resid    4 and  name CB   )(resid   32 and  name SG   ) 3.1 1.3 0.0
 assign (resid    4 and  name HB*  )(resid    5 and  name HD*  ) 5.4 3.6 0.0
 assign (resid    4 and  name HB*  )(resid    6 and  name HN   ) 5.2 3.4 0.0
 assign (resid    4 and  name HB*  )(resid   10 and  name HN   ) 6.1 4.3 0.0
 assign (resid    4 and  name HB*  )(resid   10 and  name HG*  ) 7.7 5.9 0.0
 assign (resid    4 and  name HB*  )(resid   10 and  name HE   ) 6.5 4.7 0.0
 assign (resid    4 and  name HB*  )(resid   46 and  name HN   ) 7.5 5.7 0.0
 assign (resid    4 and  name HB*  )(resid   46 and  name HB*  ) 5.3 3.5 0.0
 assign (resid    4 and  name SG   )(resid   32 and  name CB   ) 3.1 1.3 0.0
 assign (resid    4 and  name SG   )(resid   32 and  name SG   ) 2.1 0.3 0.0
 assign (resid    4 and  name O    )(resid   46 and  name N    ) 3.0 1.2 0.0
 assign (resid    4 and  name O    )(resid   46 and  name HN   ) 2.0 0.2 0.0
 assign (resid    5 and  name HA   )(resid   44 and  name HB1  ) 3.2 1.4 0.0
 assign (resid    5 and  name HA   )(resid   44 and  name HB2  ) 3.2 1.4 0.0
 assign (resid    5 and  name HA   )(resid   45 and  name HD*  ) 7.5 5.7 0.0
 assign (resid    5 and  name HB1  )(resid    6 and  name HN   ) 4.4 2.6 0.0
 assign (resid    5 and  name HB1  )(resid    6 and  name HD21 ) 6.2 4.4 0.0
 assign (resid    5 and  name HB1  )(resid    6 and  name HD22 ) 6.2 4.4 0.0
 assign (resid    5 and  name HB1  )(resid   44 and  name CG   ) 6.2 4.4 0.0
 assign (resid    5 and  name HB1  )(resid   44 and  name CZ   ) 6.8 5.0 0.0
 assign (resid    5 and  name HB2  )(resid    6 and  name HN   ) 4.4 2.6 0.0
 assign (resid    5 and  name HB2  )(resid    6 and  name HD21 ) 6.2 4.4 0.0
 assign (resid    5 and  name HB2  )(resid    6 and  name HD22 ) 6.2 4.4 0.0
 assign (resid    5 and  name HB2  )(resid   44 and  name CG   ) 6.2 4.4 0.0
 assign (resid    5 and  name HB2  )(resid   44 and  name CZ   ) 6.8 5.0 0.0
 assign (resid    5 and  name HB*  )(resid    6 and  name HN   ) 4.0 2.2 0.0
 assign (resid    5 and  name HB*  )(resid    6 and  name HD*  ) 5.2 3.4 0.0
 assign (resid    5 and  name HB*  )(resid   44 and  name CG   ) 6.0 4.2 0.0
 assign (resid    5 and  name HB*  )(resid   44 and  name CZ   ) 6.5 4.7 0.0
 assign (resid    5 and  name HG*  )(resid    6 and  name HD*  ) 7.0 5.2 0.0
 assign (resid    5 and  name HG*  )(resid   44 and  name CG   ) 7.0 5.2 0.0
 assign (resid    5 and  name HG*  )(resid   44 and  name CZ   ) 8.9 7.1 0.0
 assign (resid    5 and  name HD1  )(resid   44 and  name CG   ) 6.2 4.4 0.0
 assign (resid    5 and  name HD1  )(resid   44 and  name CZ   ) 6.9 5.1 0.0
 assign (resid    5 and  name HD2  )(resid   44 and  name CG   ) 6.2 4.4 0.0
 assign (resid    5 and  name HD2  )(resid   44 and  name CZ   ) 6.9 5.1 0.0
 assign (resid    5 and  name HD*  )(resid    6 and  name HN   ) 5.2 3.4 0.0
 assign (resid    5 and  name HD*  )(resid    6 and  name HD*  ) 7.4 5.6 0.0
 assign (resid    5 and  name HD*  )(resid   32 and  name HA   ) 4.1 2.3 0.0
 assign (resid    5 and  name HD*  )(resid   44 and  name CG   ) 5.7 3.9 0.0
 assign (resid    5 and  name HD*  )(resid   44 and  name CZ   ) 6.4 4.6 0.0
 assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 2.9 1.1 0.0
 assign (resid    6 and  name HN   )(resid    6 and  name HD*  ) 5.9 4.1 0.0
 assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 4.5 2.7 0.0
 assign (resid    6 and  name HN   )(resid    9 and  name HN   ) 3.7 1.9 0.0
 assign (resid    6 and  name HN   )(resid    9 and  name HA*  ) 4.9 3.1 0.0
 assign (resid    6 and  name HN   )(resid   46 and  name HB*  ) 4.4 2.6 0.0
 assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 2.8 1.0 0.0
 assign (resid    6 and  name HA   )(resid    9 and  name HN   ) 6.5 4.7 0.0
 assign (resid    6 and  name HB*  )(resid    7 and  name HN   ) 3.6 1.8 0.0
 assign (resid    6 and  name HD21 )(resid    8 and  name HA   ) 6.5 4.7 0.0
 assign (resid    6 and  name HD22 )(resid    8 and  name HA   ) 6.5 4.7 0.0
 assign (resid    6 and  name HD*  )(resid    7 and  name HN   ) 7.4 5.6 0.0
 assign (resid    6 and  name HD*  )(resid    8 and  name HA   ) 5.8 4.0 0.0
 assign (resid    6 and  name HD*  )(resid    8 and  name HG*  ) 8.4 6.6 0.0
 assign (resid    6 and  name O    )(resid    9 and  name N    ) 3.0 1.2 0.0
 assign (resid    6 and  name O    )(resid    9 and  name HN   ) 2.0 0.2 0.0
 assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 2.8 1.0 0.0
 assign (resid    7 and  name HN   )(resid    7 and  name HB   ) 3.0 1.2 0.0
 assign (resid    7 and  name HN   )(resid    7 and  name HG*  ) 4.1 2.3 0.0
 assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.9 1.1 0.0
 assign (resid    7 and  name HN   )(resid   46 and  name HB*  ) 4.2 2.4 0.0
 assign (resid    7 and  name HN   )(resid   46 and  name HG*  ) 7.5 5.7 0.0
 assign (resid    7 and  name HN   )(resid   46 and  name HD*  ) 7.5 5.7 0.0
 assign (resid    7 and  name HN   )(resid   46 and  name HE1  ) 6.5 4.7 0.0
 assign (resid    7 and  name HN   )(resid   46 and  name HE2  ) 6.5 4.7 0.0
 assign (resid    7 and  name HN   )(resid   46 and  name HE*  ) 6.2 4.4 0.0
 assign (resid    7 and  name HA   )(resid    7 and  name HG*  ) 3.8 2.0 0.0
 assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 3.4 1.6 0.0
 assign (resid    7 and  name HA   )(resid   10 and  name HN   ) 3.4 1.6 0.0
 assign (resid    7 and  name HA   )(resid   10 and  name HB*  ) 3.8 2.0 0.0
 assign (resid    7 and  name HA   )(resid   10 and  name HG*  ) 4.7 2.9 0.0
 assign (resid    7 and  name HB   )(resid    8 and  name HN   ) 3.6 1.8 0.0
 assign (resid    7 and  name HG*  )(resid   10 and  name HB*  ) 7.7 5.9 0.0
 assign (resid    7 and  name HG*  )(resid   11 and  name HD*  ) 4.8 3.0 0.0
 assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 2.8 1.0 0.0
 assign (resid    8 and  name HN   )(resid    8 and  name HB   ) 3.3 1.5 0.0
 assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.8 1.0 0.0
 assign (resid    8 and  name HN   )(resid   10 and  name HN   ) 4.1 2.3 0.0
 assign (resid    8 and  name HA   )(resid    8 and  name HG*  ) 3.6 1.8 0.0
 assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 3.5 1.7 0.0
 assign (resid    8 and  name HA   )(resid   10 and  name HN   ) 4.8 3.0 0.0
 assign (resid    8 and  name HA   )(resid   11 and  name HD*  ) 4.6 2.8 0.0
 assign (resid    8 and  name HA   )(resid   12 and  name HN   ) 4.9 3.1 0.0
 assign (resid    8 and  name HB   )(resid    9 and  name HN   ) 4.9 3.1 0.0
 assign (resid    8 and  name HG*  )(resid    9 and  name HN   ) 4.4 2.6 0.0
 assign (resid    8 and  name HG*  )(resid   10 and  name HN   ) 6.7 4.9 0.0
 assign (resid    8 and  name HG*  )(resid   11 and  name HD*  ) 5.5 3.7 0.0
 assign (resid    8 and  name O    )(resid   11 and  name N    ) 3.0 1.2 0.0
 assign (resid    8 and  name O    )(resid   11 and  name HN   ) 2.0 0.2 0.0
 assign (resid    9 and  name HN   )(resid    9 and  name HA1  ) 2.8 1.0 0.0
 assign (resid    9 and  name HN   )(resid    9 and  name HA2  ) 2.8 1.0 0.0
 assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.8 1.0 0.0
 assign (resid    9 and  name HA1  )(resid   11 and  name HN   ) 4.2 2.4 0.0
 assign (resid    9 and  name HA1  )(resid   12 and  name HB   ) 4.6 2.8 0.0
 assign (resid    9 and  name HA1  )(resid   12 and  name HD2  ) 4.1 2.3 0.0
 assign (resid    9 and  name HA2  )(resid   11 and  name HN   ) 4.2 2.4 0.0
 assign (resid    9 and  name HA2  )(resid   12 and  name HB   ) 4.6 2.8 0.0
 assign (resid    9 and  name HA2  )(resid   12 and  name HD2  ) 4.1 2.3 0.0
 assign (resid    9 and  name HA*  )(resid   11 and  name HN   ) 4.0 2.2 0.0
 assign (resid    9 and  name HA*  )(resid   12 and  name HN   ) 4.6 2.8 0.0
 assign (resid    9 and  name HA*  )(resid   12 and  name HB   ) 3.9 2.1 0.0
 assign (resid    9 and  name HA*  )(resid   12 and  name HD2  ) 3.8 2.0 0.0
 assign (resid    9 and  name HA*  )(resid   12 and  name HD3  ) 4.8 3.0 0.0
 assign (resid    9 and  name HA*  )(resid   13 and  name HN   ) 5.8 4.0 0.0
 assign (resid    9 and  name O    )(resid   13 and  name N    ) 3.0 1.2 0.0
 assign (resid    9 and  name O    )(resid   13 and  name HN   ) 2.0 0.2 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 3.5 1.7 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 3.5 1.7 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HB*  ) 3.0 1.2 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HG*  ) 4.4 2.6 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HD1  ) 6.5 4.7 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HD2  ) 6.5 4.7 0.0
 assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.8 1.0 0.0
 assign (resid   10 and  name HN   )(resid   46 and  name HB*  ) 6.4 4.6 0.0
 assign (resid   10 and  name HA   )(resid   10 and  name HD1  ) 4.4 2.6 0.0
 assign (resid   10 and  name HA   )(resid   10 and  name HD2  ) 4.4 2.6 0.0
 assign (resid   10 and  name HA   )(resid   10 and  name HD*  ) 3.7 1.9 0.0
 assign (resid   10 and  name HA   )(resid   10 and  name HE   ) 4.5 2.7 0.0
 assign (resid   10 and  name HA   )(resid   13 and  name HN   ) 3.6 1.8 0.0
 assign (resid   10 and  name HA   )(resid   13 and  name HB*  ) 4.1 2.3 0.0
 assign (resid   10 and  name HA   )(resid   13 and  name CG   ) 8.9 7.1 0.0
 assign (resid   10 and  name HA   )(resid   14 and  name HN   ) 4.3 2.5 0.0
 assign (resid   10 and  name HB1  )(resid   10 and  name HE   ) 4.0 2.2 0.0
 assign (resid   10 and  name HB1  )(resid   14 and  name HD21 ) 8.2 6.4 0.0
 assign (resid   10 and  name HB1  )(resid   14 and  name HD22 ) 8.2 6.4 0.0
 assign (resid   10 and  name HB2  )(resid   10 and  name HE   ) 4.0 2.2 0.0
 assign (resid   10 and  name HB2  )(resid   14 and  name HD21 ) 8.2 6.4 0.0
 assign (resid   10 and  name HB2  )(resid   14 and  name HD22 ) 8.2 6.4 0.0
 assign (resid   10 and  name HB*  )(resid   10 and  name HD*  ) 3.4 1.6 0.0
 assign (resid   10 and  name HB*  )(resid   10 and  name HE   ) 3.3 1.5 0.0
 assign (resid   10 and  name HB*  )(resid   11 and  name HN   ) 3.7 1.9 0.0
 assign (resid   10 and  name HB*  )(resid   14 and  name HD*  ) 6.9 5.1 0.0
 assign (resid   10 and  name HG*  )(resid   11 and  name HN   ) 4.8 3.0 0.0
 assign (resid   10 and  name HG*  )(resid   14 and  name HN   ) 7.5 5.7 0.0
 assign (resid   10 and  name HG*  )(resid   14 and  name HD21 ) 5.9 4.1 0.0
 assign (resid   10 and  name HG*  )(resid   14 and  name HD22 ) 5.9 4.1 0.0
 assign (resid   10 and  name HG*  )(resid   14 and  name HD*  ) 5.5 3.7 0.0
 assign (resid   10 and  name HD1  )(resid   13 and  name CG   ) 8.9 7.1 0.0
 assign (resid   10 and  name HD1  )(resid   14 and  name HN   ) 6.5 4.7 0.0
 assign (resid   10 and  name HD1  )(resid   14 and  name HD21 ) 5.3 3.5 0.0
 assign (resid   10 and  name HD1  )(resid   14 and  name HD22 ) 5.3 3.5 0.0
 assign (resid   10 and  name HD2  )(resid   13 and  name CG   ) 8.9 7.1 0.0
 assign (resid   10 and  name HD2  )(resid   14 and  name HN   ) 6.5 4.7 0.0
 assign (resid   10 and  name HD2  )(resid   14 and  name HD21 ) 5.3 3.5 0.0
 assign (resid   10 and  name HD2  )(resid   14 and  name HD22 ) 5.3 3.5 0.0
 assign (resid   10 and  name HD*  )(resid   13 and  name HN   ) 7.4 5.6 0.0
 assign (resid   10 and  name HD*  )(resid   14 and  name HN   ) 5.9 4.1 0.0
 assign (resid   10 and  name HD*  )(resid   14 and  name HD*  ) 3.9 2.1 0.0
 assign (resid   10 and  name HE   )(resid   14 and  name HD*  ) 7.4 5.6 0.0
 assign (resid   10 and  name HE   )(resid   46 and  name HA   ) 6.5 4.7 0.0
 assign (resid   10 and  name HE   )(resid   46 and  name HB*  ) 7.2 5.4 0.0
 assign (resid   10 and  name O    )(resid   14 and  name N    ) 3.0 1.2 0.0
 assign (resid   10 and  name O    )(resid   14 and  name HN   ) 2.0 0.2 0.0
 assign (resid   10 and  name O    )(resid   14 and  name HD*  ) 2.9 1.1 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 2.8 1.0 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HB1  ) 3.2 1.4 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 3.2 1.4 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HD21 ) 5.3 3.5 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HD22 ) 5.3 3.5 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HD*  ) 4.7 2.9 0.0
 assign (resid   11 and  name HA   )(resid   14 and  name HN   ) 3.5 1.7 0.0
 assign (resid   11 and  name HA   )(resid   14 and  name HD21 ) 6.5 4.7 0.0
 assign (resid   11 and  name HA   )(resid   14 and  name HD22 ) 6.5 4.7 0.0
 assign (resid   11 and  name HA   )(resid   14 and  name HD*  ) 5.8 4.0 0.0
 assign (resid   11 and  name HA   )(resid   15 and  name HN   ) 4.3 2.5 0.0
 assign (resid   11 and  name HB1  )(resid   12 and  name HN   ) 3.3 1.5 0.0
 assign (resid   11 and  name HB2  )(resid   12 and  name HN   ) 3.3 1.5 0.0
 assign (resid   11 and  name HB*  )(resid   11 and  name HD*  ) 3.3 1.5 0.0
 assign (resid   11 and  name O    )(resid   15 and  name N    ) 3.0 1.2 0.0
 assign (resid   11 and  name O    )(resid   15 and  name HN   ) 2.0 0.2 0.0
 assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 2.8 1.0 0.0
 assign (resid   12 and  name HN   )(resid   12 and  name HB   ) 3.3 1.5 0.0
 assign (resid   12 and  name HN   )(resid   12 and  name HG*  ) 4.3 2.5 0.0
 assign (resid   12 and  name HN   )(resid   12 and  name HG*  ) 4.3 2.5 0.0
 assign (resid   12 and  name HN   )(resid   12 and  name HD2  ) 4.3 2.5 0.0
 assign (resid   12 and  name HN   )(resid   12 and  name HD3  ) 4.1 2.3 0.0
 assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.8 1.0 0.0
 assign (resid   12 and  name HN   )(resid   14 and  name HD*  ) 6.7 4.9 0.0
 assign (resid   12 and  name HA   )(resid   12 and  name HG*  ) 3.6 1.8 0.0
 assign (resid   12 and  name HA   )(resid   12 and  name HG*  ) 3.6 1.8 0.0
 assign (resid   12 and  name HA   )(resid   12 and  name HD2  ) 4.5 2.7 0.0
 assign (resid   12 and  name HA   )(resid   12 and  name HD3  ) 4.5 2.7 0.0
 assign (resid   12 and  name HA   )(resid   15 and  name HN   ) 3.3 1.5 0.0
 assign (resid   12 and  name HA   )(resid   16 and  name HN   ) 4.1 2.3 0.0
 assign (resid   12 and  name HB   )(resid   12 and  name HD2  ) 4.2 2.4 0.0
 assign (resid   12 and  name HB   )(resid   12 and  name HD3  ) 3.8 2.0 0.0
 assign (resid   12 and  name HB   )(resid   13 and  name HN   ) 3.6 1.8 0.0
 assign (resid   12 and  name HB   )(resid   14 and  name HN   ) 4.8 3.0 0.0
 assign (resid   12 and  name HB   )(resid   30 and  name HA   ) 3.3 1.5 0.0
 assign (resid   12 and  name HB   )(resid   30 and  name HB1  ) 3.8 2.0 0.0
 assign (resid   12 and  name HB   )(resid   30 and  name HB2  ) 3.8 2.0 0.0
 assign (resid   12 and  name HB   )(resid   30 and  name HB*  ) 3.2 1.4 0.0
 assign (resid   12 and  name HG*  )(resid   12 and  name HD2  ) 4.9 3.1 0.0
 assign (resid   12 and  name HG*  )(resid   12 and  name HD3  ) 4.9 3.1 0.0
 assign (resid   12 and  name HG*  )(resid   13 and  name HN   ) 6.8 5.0 0.0
 assign (resid   12 and  name HG*  )(resid   13 and  name HN   ) 7.5 5.7 0.0
 assign (resid   12 and  name HD*  )(resid   30 and  name HB*  ) 4.3 2.5 0.0
 assign (resid   12 and  name HD2  )(resid   13 and  name HN   ) 5.4 3.6 0.0
 assign (resid   12 and  name HD2  )(resid   30 and  name HA   ) 3.4 1.6 0.0
 assign (resid   12 and  name HD3  )(resid   13 and  name HN   ) 4.4 2.6 0.0
 assign (resid   12 and  name HD3  )(resid   30 and  name HA   ) 3.4 1.6 0.0
 assign (resid   12 and  name HD3  )(resid   32 and  name HN   ) 6.5 4.7 0.0
 assign (resid   12 and  name O    )(resid   16 and  name N    ) 3.0 1.2 0.0
 assign (resid   12 and  name O    )(resid   16 and  name HN   ) 2.0 0.2 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 2.8 1.0 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HB1  ) 3.1 1.3 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 3.1 1.3 0.0
 assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.8 1.0 0.0
 assign (resid   13 and  name HN   )(resid   26 and  name HB*  ) 6.8 5.0 0.0
 assign (resid   13 and  name HN   )(resid   30 and  name HB*  ) 4.7 2.9 0.0
 assign (resid   13 and  name HB1  )(resid   14 and  name HN   ) 3.3 1.5 0.0
 assign (resid   13 and  name HB2  )(resid   14 and  name HN   ) 3.3 1.5 0.0
 assign (resid   13 and  name HB*  )(resid   14 and  name HN   ) 2.9 1.1 0.0
 assign (resid   13 and  name HB*  )(resid   17 and  name HN   ) 5.4 3.6 0.0
 assign (resid   13 and  name HB*  )(resid   30 and  name HG1  ) 5.2 3.4 0.0
 assign (resid   13 and  name HB*  )(resid   31 and  name HN   ) 7.4 5.6 0.0
 assign (resid   13 and  name CG   )(resid   14 and  name HN   ) 7.1 5.3 0.0
 assign (resid   13 and  name CG   )(resid   14 and  name HA   ) 6.8 5.0 0.0
 assign (resid   13 and  name CG   )(resid   15 and  name HN   ) 8.9 7.1 0.0
 assign (resid   13 and  name CG   )(resid   17 and  name HN   ) 8.9 7.1 0.0
 assign (resid   13 and  name CG   )(resid   17 and  name HB1  ) 8.9 7.1 0.0
 assign (resid   13 and  name CG   )(resid   17 and  name HB2  ) 8.9 7.1 0.0
 assign (resid   13 and  name CG   )(resid   17 and  name HB*  ) 8.8 7.0 0.0
 assign (resid   13 and  name CG   )(resid   17 and  name HG*  ) 5.7 3.9 0.0
 assign (resid   13 and  name CG   )(resid   23 and  name HA   ) 6.8 5.0 0.0
 assign (resid   13 and  name CG   )(resid   26 and  name HN   ) 8.9 7.1 0.0
 assign (resid   13 and  name CG   )(resid   26 and  name HA   ) 8.9 7.1 0.0
 assign (resid   13 and  name CG   )(resid   26 and  name HB1  ) 6.5 4.7 0.0
 assign (resid   13 and  name CG   )(resid   26 and  name HB2  ) 6.5 4.7 0.0
 assign (resid   13 and  name CG   )(resid   26 and  name HB*  ) 6.3 4.5 0.0
 assign (resid   13 and  name CG   )(resid   27 and  name HN   ) 6.8 5.0 0.0
 assign (resid   13 and  name CG   )(resid   27 and  name HA   ) 5.9 4.1 0.0
 assign (resid   13 and  name CG   )(resid   27 and  name HB*  ) 7.2 5.4 0.0
 assign (resid   13 and  name CG   )(resid   30 and  name HG1  ) 8.3 6.5 0.0
 assign (resid   13 and  name CG   )(resid   32 and  name HB*  ) 8.1 6.3 0.0
 assign (resid   13 and  name CG   )(resid   34 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   13 and  name CG   )(resid   30 and  name HA   ) 6.8 5.0 0.0
 assign (resid   13 and  name CG   )(resid   32 and  name HN   ) 7.7 5.9 0.0
 assign (resid   13 and  name O    )(resid   17 and  name N    ) 3.0 1.2 0.0
 assign (resid   13 and  name O    )(resid   17 and  name HN   ) 2.0 0.2 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 2.8 1.0 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HB1  ) 3.3 1.5 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HB2  ) 3.3 1.5 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HD21 ) 6.5 4.7 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HD22 ) 6.5 4.7 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HD*  ) 5.7 3.9 0.0
 assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.8 1.0 0.0
 assign (resid   14 and  name HN   )(resid   15 and  name HB   ) 5.4 3.6 0.0
 assign (resid   14 and  name HN   )(resid   16 and  name HN   ) 4.3 2.5 0.0
 assign (resid   14 and  name HN   )(resid   17 and  name HN   ) 4.7 2.9 0.0
 assign (resid   14 and  name HN   )(resid   29 and  name HD*  ) 8.2 6.4 0.0
 assign (resid   14 and  name HA   )(resid   14 and  name HB1  ) 3.0 1.2 0.0
 assign (resid   14 and  name HA   )(resid   14 and  name HB2  ) 3.0 1.2 0.0
 assign (resid   14 and  name HA   )(resid   14 and  name HD*  ) 3.7 1.9 0.0
 assign (resid   14 and  name HA   )(resid   17 and  name HN   ) 3.4 1.6 0.0
 assign (resid   14 and  name HB1  )(resid   14 and  name HD21 ) 4.0 2.2 0.0
 assign (resid   14 and  name HB1  )(resid   14 and  name HD22 ) 4.0 2.2 0.0
 assign (resid   14 and  name HB1  )(resid   15 and  name HN   ) 3.1 1.3 0.0
 assign (resid   14 and  name HB2  )(resid   14 and  name HD21 ) 4.0 2.2 0.0
 assign (resid   14 and  name HB2  )(resid   14 and  name HD22 ) 4.0 2.2 0.0
 assign (resid   14 and  name HB2  )(resid   15 and  name HN   ) 3.1 1.3 0.0
 assign (resid   14 and  name HB*  )(resid   14 and  name HD*  ) 3.2 1.4 0.0
 assign (resid   14 and  name HB*  )(resid   15 and  name HN   ) 2.8 1.0 0.0
 assign (resid   14 and  name HD*  )(resid   18 and  name HN   ) 7.4 5.6 0.0
 assign (resid   14 and  name O    )(resid   18 and  name N    ) 3.0 1.2 0.0
 assign (resid   14 and  name O    )(resid   18 and  name HN   ) 2.0 0.2 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 2.9 1.1 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name HB   ) 3.2 1.4 0.0
 assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 2.8 1.0 0.0
 assign (resid   15 and  name HN   )(resid   18 and  name HB*  ) 5.8 4.0 0.0
 assign (resid   15 and  name HA   )(resid   15 and  name HB   ) 2.9 1.1 0.0
 assign (resid   15 and  name HA   )(resid   15 and  name HG*  ) 3.4 1.6 0.0
 assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 3.6 1.8 0.0
 assign (resid   15 and  name HB   )(resid   16 and  name HN   ) 2.9 1.1 0.0
 assign (resid   15 and  name HG*  )(resid   16 and  name HN   ) 4.2 2.4 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 2.8 1.0 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HB1  ) 3.9 2.1 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HB2  ) 3.9 2.1 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HB*  ) 3.5 1.7 0.0
 assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 2.8 1.0 0.0
 assign (resid   16 and  name HN   )(resid   17 and  name HB*  ) 7.1 5.3 0.0
 assign (resid   16 and  name HN   )(resid   26 and  name HB*  ) 6.2 4.4 0.0
 assign (resid   16 and  name HN   )(resid   29 and  name HD*  ) 6.2 4.4 0.0
 assign (resid   16 and  name HN   )(resid   29 and  name HD*  ) 6.2 4.4 0.0
 assign (resid   16 and  name HN   )(resid   29 and  name HD*  ) 5.8 4.0 0.0
 assign (resid   16 and  name HA   )(resid   19 and  name HN   ) 3.3 1.5 0.0
 assign (resid   16 and  name HA   )(resid   21 and  name HN   ) 4.3 2.5 0.0
 assign (resid   16 and  name CB   )(resid   26 and  name SG   ) 3.1 1.3 0.0
 assign (resid   16 and  name HB1  )(resid   17 and  name HN   ) 3.8 2.0 0.0
 assign (resid   16 and  name HB1  )(resid   26 and  name HB1  ) 5.5 3.7 0.0
 assign (resid   16 and  name HB1  )(resid   26 and  name HB2  ) 5.5 3.7 0.0
 assign (resid   16 and  name HB1  )(resid   29 and  name HD*  ) 5.6 3.8 0.0
 assign (resid   16 and  name HB1  )(resid   29 and  name HD*  ) 5.6 3.8 0.0
 assign (resid   16 and  name HB2  )(resid   17 and  name HN   ) 3.8 2.0 0.0
 assign (resid   16 and  name HB2  )(resid   26 and  name HB1  ) 5.5 3.7 0.0
 assign (resid   16 and  name HB2  )(resid   26 and  name HB2  ) 5.5 3.7 0.0
 assign (resid   16 and  name HB2  )(resid   29 and  name HD*  ) 5.6 3.8 0.0
 assign (resid   16 and  name HB2  )(resid   29 and  name HD*  ) 5.6 3.8 0.0
 assign (resid   16 and  name HB*  )(resid   17 and  name HN   ) 3.6 1.8 0.0
 assign (resid   16 and  name HB*  )(resid   26 and  name HB*  ) 4.4 2.6 0.0
 assign (resid   16 and  name HB*  )(resid   29 and  name HD*  ) 4.3 2.5 0.0
 assign (resid   16 and  name SG   )(resid   26 and  name CB   ) 3.1 1.3 0.0
 assign (resid   16 and  name SG   )(resid   26 and  name SG   ) 2.1 0.3 0.0
 assign (resid   16 and  name O    )(resid   19 and  name N    ) 3.0 1.2 0.0
 assign (resid   16 and  name O    )(resid   19 and  name HN   ) 2.0 0.2 0.0
 assign (resid   16 and  name O    )(resid   20 and  name N    ) 3.0 1.2 0.0
 assign (resid   16 and  name O    )(resid   20 and  name HN   ) 2.0 0.2 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 2.9 1.1 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HB1  ) 3.4 1.6 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HB2  ) 3.4 1.6 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HG1  ) 3.6 1.8 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HG2  ) 3.6 1.8 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HD1  ) 5.7 3.9 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HD2  ) 5.7 3.9 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HD*  ) 5.3 3.5 0.0
 assign (resid   17 and  name HN   )(resid   19 and  name HN   ) 4.5 2.7 0.0
 assign (resid   17 and  name HN   )(resid   26 and  name HB*  ) 6.0 4.2 0.0
 assign (resid   17 and  name HA   )(resid   17 and  name HB1  ) 2.8 1.0 0.0
 assign (resid   17 and  name HA   )(resid   17 and  name HB2  ) 2.8 1.0 0.0
 assign (resid   17 and  name HA   )(resid   17 and  name HG1  ) 4.2 2.4 0.0
 assign (resid   17 and  name HA   )(resid   17 and  name HG2  ) 4.2 2.4 0.0
 assign (resid   17 and  name HA   )(resid   17 and  name HG*  ) 3.9 2.1 0.0
 assign (resid   17 and  name HA   )(resid   17 and  name NE   ) 5.2 3.4 0.0
 assign (resid   17 and  name HA   )(resid   20 and  name HN   ) 3.6 1.8 0.0
 assign (resid   17 and  name HA   )(resid   21 and  name HN   ) 2.8 1.0 0.0
 assign (resid   17 and  name HA   )(resid   23 and  name HH2* ) 7.4 5.6 0.0
 assign (resid   17 and  name HA   )(resid   29 and  name HD*  ) 8.8 7.0 0.0
 assign (resid   17 and  name HB1  )(resid   17 and  name HG1  ) 3.0 1.2 0.0
 assign (resid   17 and  name HB1  )(resid   17 and  name HG2  ) 3.0 1.2 0.0
 assign (resid   17 and  name HB1  )(resid   17 and  name HE   ) 3.9 2.1 0.0
 assign (resid   17 and  name HB1  )(resid   18 and  name HN   ) 2.8 1.0 0.0
 assign (resid   17 and  name HB2  )(resid   17 and  name HG1  ) 3.0 1.2 0.0
 assign (resid   17 and  name HB2  )(resid   17 and  name HG2  ) 3.0 1.2 0.0
 assign (resid   17 and  name HB2  )(resid   17 and  name HE   ) 3.9 2.1 0.0
 assign (resid   17 and  name HB2  )(resid   18 and  name HN   ) 2.8 1.0 0.0
 assign (resid   17 and  name HB*  )(resid   17 and  name HD*  ) 3.6 1.8 0.0
 assign (resid   17 and  name HB*  )(resid   17 and  name HE   ) 3.4 1.6 0.0
 assign (resid   17 and  name HG1  )(resid   17 and  name HE   ) 3.6 1.8 0.0
 assign (resid   17 and  name HG1  )(resid   18 and  name HN   ) 5.2 3.4 0.0
 assign (resid   17 and  name HG2  )(resid   17 and  name HE   ) 3.6 1.8 0.0
 assign (resid   17 and  name HG2  )(resid   18 and  name HN   ) 5.2 3.4 0.0
 assign (resid   17 and  name HG*  )(resid   17 and  name HE   ) 3.1 1.3 0.0
 assign (resid   17 and  name HG*  )(resid   18 and  name HN   ) 4.7 2.9 0.0
 assign (resid   17 and  name HD1  )(resid   17 and  name HE   ) 3.0 1.2 0.0
 assign (resid   17 and  name HD1  )(resid   23 and  name HH21 ) 4.8 3.0 0.0
 assign (resid   17 and  name HD1  )(resid   23 and  name HH22 ) 4.8 3.0 0.0
 assign (resid   17 and  name HD2  )(resid   17 and  name HE   ) 3.0 1.2 0.0
 assign (resid   17 and  name HD2  )(resid   23 and  name HH21 ) 4.8 3.0 0.0
 assign (resid   17 and  name HD2  )(resid   23 and  name HH22 ) 4.8 3.0 0.0
 assign (resid   17 and  name HD*  )(resid   21 and  name HN   ) 7.4 5.6 0.0
 assign (resid   17 and  name HD*  )(resid   23 and  name HN   ) 6.7 4.9 0.0
 assign (resid   17 and  name HD*  )(resid   23 and  name HH2* ) 3.7 1.9 0.0
 assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 2.8 1.0 0.0
 assign (resid   18 and  name HN   )(resid   18 and  name HB*  ) 3.0 1.2 0.0
 assign (resid   18 and  name HN   )(resid   18 and  name CD1  ) 4.6 2.8 0.0
 assign (resid   18 and  name HN   )(resid   18 and  name CE1  ) 4.0 2.2 0.0
 assign (resid   18 and  name HN   )(resid   19 and  name HA1  ) 4.9 3.1 0.0
 assign (resid   18 and  name HN   )(resid   19 and  name HA2  ) 4.9 3.1 0.0
 assign (resid   18 and  name HN   )(resid   19 and  name HA*  ) 4.7 2.9 0.0
 assign (resid   18 and  name HA   )(resid   18 and  name CD1  ) 3.5 1.7 0.0
 assign (resid   18 and  name HA   )(resid   18 and  name CE1  ) 4.5 2.7 0.0
 assign (resid   18 and  name HA   )(resid   18 and  name HZ   ) 6.8 5.0 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HA1  ) 2.9 1.1 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HA2  ) 2.9 1.1 0.0
 assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 2.8 1.0 0.0
 assign (resid   19 and  name HN   )(resid   21 and  name HN   ) 4.0 2.2 0.0
 assign (resid   19 and  name HA1  )(resid   20 and  name HN   ) 3.5 1.7 0.0
 assign (resid   19 and  name HA2  )(resid   20 and  name HN   ) 3.5 1.7 0.0
 assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.8 1.0 0.0
 assign (resid   20 and  name HN   )(resid   25 and  name HG*  ) 9.1 7.3 0.0
 assign (resid   21 and  name HN   )(resid   21 and  name HA1  ) 2.9 1.1 0.0
 assign (resid   21 and  name HN   )(resid   21 and  name HA2  ) 2.9 1.1 0.0
 assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 4.1 2.3 0.0
 assign (resid   21 and  name HN   )(resid   25 and  name HG*  ) 8.5 6.7 0.0
 assign (resid   21 and  name HA1  )(resid   22 and  name HN   ) 3.3 1.5 0.0
 assign (resid   21 and  name HA2  )(resid   22 and  name HN   ) 3.3 1.5 0.0
 assign (resid   21 and  name HA*  )(resid   29 and  name HD*  ) 9.4 7.6 0.0
 assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 2.9 1.1 0.0
 assign (resid   22 and  name HN   )(resid   22 and  name HB1  ) 3.5 1.7 0.0
 assign (resid   22 and  name HN   )(resid   22 and  name HB2  ) 3.5 1.7 0.0
 assign (resid   22 and  name HN   )(resid   22 and  name HB*  ) 3.0 1.2 0.0
 assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 4.2 2.4 0.0
 assign (resid   22 and  name HN   )(resid   23 and  name HE   ) 5.0 3.2 0.0
 assign (resid   22 and  name HN   )(resid   25 and  name HB   ) 2.8 1.0 0.0
 assign (resid   22 and  name HN   )(resid   25 and  name HG*  ) 4.8 3.0 0.0
 assign (resid   22 and  name HN   )(resid   25 and  name HG*  ) 4.8 3.0 0.0
 assign (resid   22 and  name HN   )(resid   25 and  name HG*  ) 4.1 2.3 0.0
 assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 3.0 1.2 0.0
 assign (resid   22 and  name HA   )(resid   23 and  name HH21 ) 4.4 2.6 0.0
 assign (resid   22 and  name HA   )(resid   23 and  name HH22 ) 4.4 2.6 0.0
 assign (resid   22 and  name HA   )(resid   23 and  name HH2* ) 4.2 2.4 0.0
 assign (resid   22 and  name HB1  )(resid   23 and  name HN   ) 3.6 1.8 0.0
 assign (resid   22 and  name HB1  )(resid   25 and  name HG*  ) 6.8 5.0 0.0
 assign (resid   22 and  name HB1  )(resid   25 and  name HG*  ) 6.8 5.0 0.0
 assign (resid   22 and  name HB2  )(resid   23 and  name HN   ) 3.6 1.8 0.0
 assign (resid   22 and  name HB2  )(resid   25 and  name HG*  ) 6.8 5.0 0.0
 assign (resid   22 and  name HB2  )(resid   25 and  name HG*  ) 6.8 5.0 0.0
 assign (resid   22 and  name HB*  )(resid   23 and  name HN   ) 3.3 1.5 0.0
 assign (resid   22 and  name HB*  )(resid   23 and  name HE   ) 7.4 5.6 0.0
 assign (resid   22 and  name HB*  )(resid   25 and  name HB   ) 5.4 3.6 0.0
 assign (resid   22 and  name HB*  )(resid   25 and  name HG*  ) 5.6 3.8 0.0
 assign (resid   22 and  name HB*  )(resid   26 and  name HN   ) 7.4 5.6 0.0
 assign (resid   22 and  name O    )(resid   23 and  name HE   ) 2.0 0.2 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 2.8 1.0 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HB1  ) 3.6 1.8 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HB2  ) 3.6 1.8 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HB*  ) 3.3 1.5 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HG*  ) 4.9 3.1 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HD1  ) 5.1 3.3 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HD2  ) 5.1 3.3 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HE   ) 6.0 4.2 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HH2* ) 6.6 4.8 0.0
 assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 2.9 1.1 0.0
 assign (resid   23 and  name HA   )(resid   23 and  name HG*  ) 3.7 1.9 0.0
 assign (resid   23 and  name HA   )(resid   23 and  name HD*  ) 4.1 2.3 0.0
 assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 3.5 1.7 0.0
 assign (resid   23 and  name HA   )(resid   25 and  name HN   ) 5.3 3.5 0.0
 assign (resid   23 and  name HA   )(resid   26 and  name HN   ) 3.5 1.7 0.0
 assign (resid   23 and  name HA   )(resid   27 and  name HN   ) 3.8 2.0 0.0
 assign (resid   23 and  name HA   )(resid   34 and  name HG*  ) 5.2 3.4 0.0
 assign (resid   23 and  name HA   )(resid   34 and  name HD*  ) 5.5 3.7 0.0
 assign (resid   23 and  name HB1  )(resid   23 and  name HD1  ) 4.1 2.3 0.0
 assign (resid   23 and  name HB1  )(resid   23 and  name HD2  ) 4.1 2.3 0.0
 assign (resid   23 and  name HB1  )(resid   23 and  name HE   ) 4.6 2.8 0.0
 assign (resid   23 and  name HB1  )(resid   24 and  name HN   ) 4.0 2.2 0.0
 assign (resid   23 and  name HB2  )(resid   23 and  name HD1  ) 4.1 2.3 0.0
 assign (resid   23 and  name HB2  )(resid   23 and  name HD2  ) 4.1 2.3 0.0
 assign (resid   23 and  name HB2  )(resid   23 and  name HE   ) 4.6 2.8 0.0
 assign (resid   23 and  name HB2  )(resid   24 and  name HN   ) 4.0 2.2 0.0
 assign (resid   23 and  name HB*  )(resid   23 and  name HD*  ) 3.7 1.9 0.0
 assign (resid   23 and  name HB*  )(resid   23 and  name HE   ) 4.4 2.6 0.0
 assign (resid   23 and  name HB*  )(resid   23 and  name HH2* ) 6.0 4.2 0.0
 assign (resid   23 and  name HB*  )(resid   24 and  name HN   ) 3.3 1.5 0.0
 assign (resid   23 and  name HB*  )(resid   27 and  name HN   ) 5.8 4.0 0.0
 assign (resid   23 and  name HB*  )(resid   34 and  name HG*  ) 6.2 4.4 0.0
 assign (resid   23 and  name HB*  )(resid   34 and  name HD*  ) 4.3 2.5 0.0
 assign (resid   23 and  name HG*  )(resid   23 and  name HH2* ) 8.1 6.3 0.0
 assign (resid   23 and  name HG*  )(resid   34 and  name HD*  ) 8.2 6.4 0.0
 assign (resid   23 and  name HD1  )(resid   34 and  name HG*  ) 5.3 3.5 0.0
 assign (resid   23 and  name HD1  )(resid   34 and  name HD*  ) 5.7 3.9 0.0
 assign (resid   23 and  name HD2  )(resid   34 and  name HG*  ) 5.3 3.5 0.0
 assign (resid   23 and  name HD2  )(resid   34 and  name HD*  ) 5.7 3.9 0.0
 assign (resid   23 and  name HD*  )(resid   34 and  name HG*  ) 5.0 3.2 0.0
 assign (resid   23 and  name HD*  )(resid   34 and  name HD*  ) 5.2 3.4 0.0
 assign (resid   23 and  name HE   )(resid   27 and  name HN   ) 5.3 3.5 0.0
 assign (resid   23 and  name HE   )(resid   34 and  name HG*  ) 7.5 5.7 0.0
 assign (resid   23 and  name HE   )(resid   34 and  name HD*  ) 7.5 5.7 0.0
 assign (resid   23 and  name O    )(resid   27 and  name N    ) 3.0 1.2 0.0
 assign (resid   23 and  name O    )(resid   27 and  name HN   ) 2.0 0.2 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HB1  ) 3.5 1.7 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HB2  ) 3.5 1.7 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HB*  ) 3.2 1.4 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HG1  ) 4.0 2.2 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HG2  ) 4.0 2.2 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HG*  ) 3.7 1.9 0.0
 assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 3.2 1.4 0.0
 assign (resid   24 and  name HN   )(resid   25 and  name HG*  ) 9.1 7.3 0.0
 assign (resid   24 and  name HA   )(resid   24 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   24 and  name HA   )(resid   24 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   24 and  name HA   )(resid   24 and  name HG1  ) 3.0 1.2 0.0
 assign (resid   24 and  name HA   )(resid   24 and  name HG2  ) 3.0 1.2 0.0
 assign (resid   24 and  name HA   )(resid   24 and  name HG*  ) 2.8 1.0 0.0
 assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 3.5 1.7 0.0
 assign (resid   24 and  name HA   )(resid   26 and  name HN   ) 4.5 2.7 0.0
 assign (resid   24 and  name HA   )(resid   27 and  name HN   ) 3.3 1.5 0.0
 assign (resid   24 and  name HA   )(resid   34 and  name HD*  ) 6.1 4.3 0.0
 assign (resid   24 and  name HG1  )(resid   25 and  name HN   ) 6.5 4.7 0.0
 assign (resid   24 and  name HG2  )(resid   25 and  name HN   ) 6.5 4.7 0.0
 assign (resid   24 and  name HG*  )(resid   25 and  name HN   ) 5.8 4.0 0.0
 assign (resid   24 and  name HE21 )(resid   34 and  name HG*  ) 7.5 5.7 0.0
 assign (resid   24 and  name HE22 )(resid   34 and  name HG*  ) 7.5 5.7 0.0
 assign (resid   24 and  name HE*  )(resid   34 and  name HB   ) 7.4 5.6 0.0
 assign (resid   24 and  name O    )(resid   28 and  name N    ) 3.0 1.2 0.0
 assign (resid   24 and  name O    )(resid   28 and  name HN   ) 2.0 0.2 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 2.7 0.9 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HB   ) 2.8 1.0 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HG*  ) 4.4 2.6 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HG*  ) 4.4 2.6 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HG*  ) 3.6 1.8 0.0
 assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 2.8 1.0 0.0
 assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 3.5 1.7 0.0
 assign (resid   25 and  name HA   )(resid   27 and  name HN   ) 4.3 2.5 0.0
 assign (resid   25 and  name HA   )(resid   28 and  name HN   ) 3.4 1.6 0.0
 assign (resid   25 and  name HA   )(resid   29 and  name HN   ) 4.7 2.9 0.0
 assign (resid   25 and  name HB   )(resid   26 and  name HN   ) 2.8 1.0 0.0
 assign (resid   25 and  name HB   )(resid   27 and  name HN   ) 4.9 3.1 0.0
 assign (resid   25 and  name HG*  )(resid   26 and  name HN   ) 5.0 3.2 0.0
 assign (resid   25 and  name HG*  )(resid   28 and  name HN   ) 7.5 5.7 0.0
 assign (resid   25 and  name HG*  )(resid   26 and  name HN   ) 5.0 3.2 0.0
 assign (resid   25 and  name HG*  )(resid   28 and  name HN   ) 7.5 5.7 0.0
 assign (resid   25 and  name HG*  )(resid   26 and  name HN   ) 4.2 2.4 0.0
 assign (resid   25 and  name HG*  )(resid   28 and  name HN   ) 7.0 5.2 0.0
 assign (resid   26 and  name HN   )(resid   26 and  name HB1  ) 3.3 1.5 0.0
 assign (resid   26 and  name HN   )(resid   26 and  name HB2  ) 3.3 1.5 0.0
 assign (resid   26 and  name HN   )(resid   26 and  name HB*  ) 3.0 1.2 0.0
 assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 2.8 1.0 0.0
 assign (resid   26 and  name HN   )(resid   27 and  name HB*  ) 6.5 4.7 0.0
 assign (resid   26 and  name HN   )(resid   28 and  name HN   ) 4.1 2.3 0.0
 assign (resid   26 and  name HA   )(resid   26 and  name HB1  ) 3.0 1.2 0.0
 assign (resid   26 and  name HA   )(resid   26 and  name HB2  ) 3.0 1.2 0.0
 assign (resid   26 and  name HA   )(resid   29 and  name HN   ) 3.8 2.0 0.0
 assign (resid   26 and  name HA   )(resid   29 and  name HD*  ) 5.6 3.8 0.0
 assign (resid   26 and  name HA   )(resid   29 and  name HD*  ) 5.6 3.8 0.0
 assign (resid   26 and  name HA   )(resid   29 and  name HD*  ) 5.0 3.2 0.0
 assign (resid   26 and  name HB1  )(resid   27 and  name HN   ) 3.2 1.4 0.0
 assign (resid   26 and  name HB1  )(resid   29 and  name HD*  ) 6.8 5.0 0.0
 assign (resid   26 and  name HB1  )(resid   29 and  name HD*  ) 6.8 5.0 0.0
 assign (resid   26 and  name HB2  )(resid   27 and  name HN   ) 3.2 1.4 0.0
 assign (resid   26 and  name HB2  )(resid   29 and  name HD*  ) 6.8 5.0 0.0
 assign (resid   26 and  name HB2  )(resid   29 and  name HD*  ) 6.8 5.0 0.0
 assign (resid   26 and  name HB*  )(resid   27 and  name HN   ) 3.0 1.2 0.0
 assign (resid   26 and  name HB*  )(resid   29 and  name HN   ) 7.4 5.6 0.0
 assign (resid   26 and  name HB*  )(resid   29 and  name HD*  ) 6.3 4.5 0.0
 assign (resid   26 and  name O    )(resid   29 and  name N    ) 3.0 1.2 0.0
 assign (resid   26 and  name O    )(resid   29 and  name HN   ) 2.0 0.2 0.0
 assign (resid   26 and  name O    )(resid   30 and  name N    ) 3.0 1.2 0.0
 assign (resid   26 and  name O    )(resid   30 and  name HN   ) 2.0 0.2 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 2.9 1.1 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name HB*  ) 3.4 1.6 0.0
 assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 2.8 1.0 0.0
 assign (resid   27 and  name HN   )(resid   29 and  name HN   ) 4.7 2.9 0.0
 assign (resid   27 and  name HN   )(resid   29 and  name HD*  ) 9.1 7.3 0.0
 assign (resid   27 and  name HN   )(resid   30 and  name HG1  ) 6.5 4.7 0.0
 assign (resid   27 and  name HN   )(resid   34 and  name HD*  ) 7.1 5.3 0.0
 assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 3.5 1.7 0.0
 assign (resid   27 and  name HA   )(resid   29 and  name HN   ) 4.5 2.7 0.0
 assign (resid   27 and  name HA   )(resid   30 and  name HN   ) 3.4 1.6 0.0
 assign (resid   27 and  name HA   )(resid   30 and  name HG1  ) 3.2 1.4 0.0
 assign (resid   27 and  name HA   )(resid   34 and  name HD*  ) 7.4 5.6 0.0
 assign (resid   27 and  name HB*  )(resid   28 and  name HN   ) 3.8 2.0 0.0
 assign (resid   27 and  name HB*  )(resid   29 and  name HN   ) 7.2 5.4 0.0
 assign (resid   27 and  name HB*  )(resid   30 and  name HG1  ) 5.7 3.9 0.0
 assign (resid   27 and  name HB*  )(resid   31 and  name HN   ) 5.4 3.6 0.0
 assign (resid   27 and  name HB*  )(resid   32 and  name HN   ) 3.9 2.1 0.0
 assign (resid   27 and  name HB*  )(resid   34 and  name HN   ) 5.2 3.4 0.0
 assign (resid   27 and  name HB*  )(resid   34 and  name HD*  ) 4.6 2.8 0.0
 assign (resid   27 and  name O    )(resid   31 and  name N    ) 3.0 1.2 0.0
 assign (resid   27 and  name O    )(resid   31 and  name HN   ) 2.0 0.2 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 2.8 1.0 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HB*  ) 3.5 1.7 0.0
 assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 2.7 0.9 0.0
 assign (resid   28 and  name HN   )(resid   29 and  name HB*  ) 4.9 3.1 0.0
 assign (resid   28 and  name HA   )(resid   31 and  name HN   ) 3.4 1.6 0.0
 assign (resid   28 and  name HB*  )(resid   29 and  name HN   ) 3.9 2.1 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 2.8 1.0 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HB1  ) 3.3 1.5 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HB2  ) 3.3 1.5 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HB*  ) 3.1 1.3 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HD*  ) 5.1 3.3 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HD*  ) 5.1 3.3 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HD*  ) 4.7 2.9 0.0
 assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 2.7 0.9 0.0
 assign (resid   29 and  name HA   )(resid   29 and  name HB1  ) 3.0 1.2 0.0
 assign (resid   29 and  name HA   )(resid   29 and  name HB2  ) 3.0 1.2 0.0
 assign (resid   29 and  name HA   )(resid   29 and  name HD*  ) 4.2 2.4 0.0
 assign (resid   29 and  name HA   )(resid   29 and  name HD*  ) 4.2 2.4 0.0
 assign (resid   29 and  name HB1  )(resid   30 and  name HN   ) 3.2 1.4 0.0
 assign (resid   29 and  name HB2  )(resid   30 and  name HN   ) 3.2 1.4 0.0
 assign (resid   29 and  name HD*  )(resid   30 and  name HN   ) 5.8 4.0 0.0
 assign (resid   29 and  name HD*  )(resid   30 and  name HN   ) 5.8 4.0 0.0
 assign (resid   29 and  name HD*  )(resid   30 and  name HN   ) 5.3 3.5 0.0
 assign (resid   29 and  name HD*  )(resid   30 and  name HG1  ) 7.4 5.6 0.0
 assign (resid   29 and  name HD*  )(resid   31 and  name HN   ) 8.9 7.1 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HB*  ) 3.6 1.8 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HG1  ) 3.1 1.3 0.0
 assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 2.8 1.0 0.0
 assign (resid   30 and  name HN   )(resid   32 and  name HN   ) 3.6 1.8 0.0
 assign (resid   30 and  name HA   )(resid   31 and  name HN   ) 3.4 1.6 0.0
 assign (resid   30 and  name HB*  )(resid   31 and  name HN   ) 3.7 1.9 0.0
 assign (resid   30 and  name HG1  )(resid   32 and  name HN   ) 4.1 2.3 0.0
 assign (resid   30 and  name HG1  )(resid   32 and  name HB*  ) 6.3 4.5 0.0
 assign (resid   31 and  name HA*  )(resid   32 and  name HN   ) 3.0 1.2 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HA   ) 2.9 1.1 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HB1  ) 3.6 1.8 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HB2  ) 3.6 1.8 0.0
 assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 4.9 3.1 0.0
 assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 2.4 0.6 0.0
 assign (resid   32 and  name HA   )(resid   44 and  name CG   ) 8.5 6.7 0.0
 assign (resid   32 and  name HA   )(resid   44 and  name CZ   ) 8.5 6.7 0.0
 assign (resid   32 and  name HB1  )(resid   33 and  name HN   ) 3.2 1.4 0.0
 assign (resid   32 and  name HB2  )(resid   33 and  name HN   ) 3.2 1.4 0.0
 assign (resid   32 and  name HB*  )(resid   33 and  name HN   ) 2.9 1.1 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HB1  ) 3.2 1.4 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HB2  ) 3.2 1.4 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HB*  ) 2.9 1.1 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HG*  ) 4.6 2.8 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HD*  ) 4.8 3.0 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HE*  ) 3.9 2.1 0.0
 assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 4.8 3.0 0.0
 assign (resid   33 and  name HN   )(resid   35 and  name HD2  ) 6.8 5.0 0.0
 assign (resid   33 and  name HN   )(resid   35 and  name HD3  ) 6.9 5.1 0.0
 assign (resid   33 and  name HN   )(resid   44 and  name CG   ) 7.2 5.4 0.0
 assign (resid   33 and  name HN   )(resid   44 and  name CZ   ) 6.4 4.6 0.0
 assign (resid   33 and  name HA   )(resid   33 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   33 and  name HA   )(resid   33 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   33 and  name HA   )(resid   33 and  name HD*  ) 5.2 3.4 0.0
 assign (resid   33 and  name HA   )(resid   33 and  name HE*  ) 5.3 3.5 0.0
 assign (resid   33 and  name HA   )(resid   34 and  name HN   ) 2.4 0.6 0.0
 assign (resid   33 and  name HB1  )(resid   33 and  name HE1  ) 5.8 4.0 0.0
 assign (resid   33 and  name HB1  )(resid   33 and  name HE2  ) 5.8 4.0 0.0
 assign (resid   33 and  name HB1  )(resid   33 and  name NZ   ) 6.5 4.7 0.0
 assign (resid   33 and  name HB2  )(resid   33 and  name HE1  ) 5.8 4.0 0.0
 assign (resid   33 and  name HB2  )(resid   33 and  name HE2  ) 5.8 4.0 0.0
 assign (resid   33 and  name HB2  )(resid   33 and  name NZ   ) 6.5 4.7 0.0
 assign (resid   33 and  name HB*  )(resid   33 and  name HE*  ) 4.6 2.8 0.0
 assign (resid   33 and  name HB*  )(resid   33 and  name NZ   ) 5.7 3.9 0.0
 assign (resid   33 and  name HB*  )(resid   34 and  name HN   ) 4.3 2.5 0.0
 assign (resid   33 and  name HB*  )(resid   44 and  name CG   ) 6.8 5.0 0.0
 assign (resid   33 and  name HB*  )(resid   44 and  name CZ   ) 7.7 5.9 0.0
 assign (resid   33 and  name HG*  )(resid   44 and  name CG   ) 9.2 7.4 0.0
 assign (resid   33 and  name HG*  )(resid   44 and  name CZ   ) 9.5 7.7 0.0
 assign (resid   33 and  name HD*  )(resid   34 and  name HN   ) 7.1 5.3 0.0
 assign (resid   33 and  name HD*  )(resid   44 and  name CG   ) 7.8 6.0 0.0
 assign (resid   33 and  name HD*  )(resid   44 and  name CZ   ) 7.6 5.8 0.0
 assign (resid   33 and  name HE*  )(resid   44 and  name CG   ) 9.4 7.6 0.0
 assign (resid   33 and  name HE*  )(resid   44 and  name CZ   ) 8.4 6.6 0.0
 assign (resid   34 and  name HN   )(resid   34 and  name HB   ) 2.8 1.0 0.0
 assign (resid   34 and  name HN   )(resid   34 and  name HG11 ) 3.7 1.9 0.0
 assign (resid   34 and  name HN   )(resid   34 and  name HG12 ) 3.7 1.9 0.0
 assign (resid   34 and  name HN   )(resid   34 and  name HG*  ) 3.2 1.4 0.0
 assign (resid   34 and  name HN   )(resid   34 and  name HD*  ) 5.2 3.4 0.0
 assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 5.2 3.4 0.0
 assign (resid   34 and  name HA   )(resid   34 and  name HG*  ) 3.4 1.6 0.0
 assign (resid   34 and  name HA   )(resid   34 and  name HD*  ) 3.4 1.6 0.0
 assign (resid   34 and  name HA   )(resid   35 and  name HN   ) 2.4 0.6 0.0
 assign (resid   34 and  name HB   )(resid   34 and  name HG11 ) 2.8 1.0 0.0
 assign (resid   34 and  name HB   )(resid   34 and  name HG12 ) 2.8 1.0 0.0
 assign (resid   34 and  name HG*  )(resid   34 and  name HD*  ) 4.4 2.6 0.0
 assign (resid   34 and  name HG*  )(resid   36 and  name HN   ) 5.5 3.7 0.0
 assign (resid   34 and  name HD*  )(resid   35 and  name HN   ) 4.9 3.1 0.0
 assign (resid   35 and  name HN   )(resid   35 and  name HB   ) 3.8 2.0 0.0
 assign (resid   35 and  name HN   )(resid   35 and  name HG*  ) 4.3 2.5 0.0
 assign (resid   35 and  name HN   )(resid   35 and  name HG*  ) 5.5 3.7 0.0
 assign (resid   35 and  name HN   )(resid   35 and  name HD2  ) 4.7 2.9 0.0
 assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 4.8 3.0 0.0
 assign (resid   35 and  name HA   )(resid   35 and  name HD2  ) 4.4 2.6 0.0
 assign (resid   35 and  name HA   )(resid   35 and  name HD3  ) 4.1 2.3 0.0
 assign (resid   35 and  name HA   )(resid   36 and  name HN   ) 2.5 0.7 0.0
 assign (resid   35 and  name HA   )(resid   37 and  name HN   ) 4.6 2.8 0.0
 assign (resid   35 and  name HB   )(resid   35 and  name HD2  ) 3.8 2.0 0.0
 assign (resid   35 and  name HB   )(resid   35 and  name HD3  ) 3.8 2.0 0.0
 assign (resid   35 and  name HB   )(resid   36 and  name HN   ) 4.9 3.1 0.0
 assign (resid   35 and  name HB   )(resid   37 and  name HN   ) 4.5 2.7 0.0
 assign (resid   35 and  name HG*  )(resid   35 and  name HD2  ) 4.6 2.8 0.0
 assign (resid   35 and  name HG*  )(resid   35 and  name HD3  ) 4.6 2.8 0.0
 assign (resid   35 and  name HG*  )(resid   36 and  name HN   ) 4.8 3.0 0.0
 assign (resid   35 and  name HG*  )(resid   37 and  name HN   ) 6.9 5.1 0.0
 assign (resid   35 and  name HG*  )(resid   36 and  name HN   ) 5.7 3.9 0.0
 assign (resid   35 and  name HG*  )(resid   37 and  name HN   ) 5.0 3.2 0.0
 assign (resid   35 and  name HD2  )(resid   36 and  name HN   ) 3.9 2.1 0.0
 assign (resid   35 and  name HD2  )(resid   37 and  name HN   ) 4.4 2.6 0.0
 assign (resid   35 and  name HD2  )(resid   38 and  name HN   ) 7.5 5.7 0.0
 assign (resid   35 and  name HD2  )(resid   40 and  name HA   ) 3.3 1.5 0.0
 assign (resid   35 and  name HD2  )(resid   41 and  name HB1  ) 6.5 4.7 0.0
 assign (resid   35 and  name HD2  )(resid   41 and  name HB2  ) 6.5 4.7 0.0
 assign (resid   35 and  name HD2  )(resid   41 and  name HB*  ) 6.2 4.4 0.0
 assign (resid   35 and  name HD2  )(resid   41 and  name HD1  ) 5.5 3.7 0.0
 assign (resid   35 and  name HD2  )(resid   41 and  name HD2  ) 5.5 3.7 0.0
 assign (resid   35 and  name HD3  )(resid   37 and  name HN   ) 5.5 3.7 0.0
 assign (resid   35 and  name HD3  )(resid   38 and  name HN   ) 7.5 5.7 0.0
 assign (resid   35 and  name HD3  )(resid   40 and  name HA   ) 3.2 1.4 0.0
 assign (resid   35 and  name HD3  )(resid   41 and  name HB1  ) 6.5 4.7 0.0
 assign (resid   35 and  name HD3  )(resid   41 and  name HB2  ) 6.5 4.7 0.0
 assign (resid   35 and  name HD3  )(resid   41 and  name HD1  ) 3.4 1.6 0.0
 assign (resid   35 and  name HD3  )(resid   41 and  name HD2  ) 3.4 1.6 0.0
 assign (resid   36 and  name HN   )(resid   36 and  name HB*  ) 3.4 1.6 0.0
 assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 2.9 1.1 0.0
 assign (resid   36 and  name HA   )(resid   37 and  name HN   ) 3.4 1.6 0.0
 assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 2.8 1.0 0.0
 assign (resid   37 and  name HN   )(resid   37 and  name HB*  ) 3.4 1.6 0.0
 assign (resid   37 and  name HN   )(resid   38 and  name HN   ) 4.4 2.6 0.0
 assign (resid   37 and  name HA   )(resid   38 and  name HN   ) 2.9 1.1 0.0
 assign (resid   37 and  name HB*  )(resid   38 and  name HN   ) 4.2 2.4 0.0
 assign (resid   37 and  name HB*  )(resid   39 and  name HN   ) 3.7 1.9 0.0
 assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 2.8 1.0 0.0
 assign (resid   38 and  name HN   )(resid   38 and  name HB1  ) 3.7 1.9 0.0
 assign (resid   38 and  name HN   )(resid   38 and  name HB2  ) 3.7 1.9 0.0
 assign (resid   38 and  name HA   )(resid   39 and  name HN   ) 3.1 1.3 0.0
 assign (resid   38 and  name HB*  )(resid   39 and  name HA   ) 4.7 2.9 0.0
 assign (resid   39 and  name HN   )(resid   39 and  name HB   ) 2.9 1.1 0.0
 assign (resid   39 and  name HN   )(resid   39 and  name HG*  ) 4.5 2.7 0.0
 assign (resid   39 and  name HA   )(resid   39 and  name HG*  ) 3.4 1.6 0.0
 assign (resid   39 and  name HA   )(resid   40 and  name HN   ) 3.3 1.5 0.0
 assign (resid   39 and  name HB   )(resid   40 and  name HN   ) 3.2 1.4 0.0
 assign (resid   39 and  name HG*  )(resid   40 and  name HN   ) 4.8 3.0 0.0
 assign (resid   40 and  name HN   )(resid   40 and  name HA   ) 2.8 1.0 0.0
 assign (resid   40 and  name HN   )(resid   40 and  name HB1  ) 3.4 1.6 0.0
 assign (resid   40 and  name HN   )(resid   40 and  name HB2  ) 3.4 1.6 0.0
 assign (resid   40 and  name HN   )(resid   40 and  name HB*  ) 3.2 1.4 0.0
 assign (resid   40 and  name HA   )(resid   41 and  name HB1  ) 5.7 3.9 0.0
 assign (resid   40 and  name HA   )(resid   41 and  name HB2  ) 5.7 3.9 0.0
 assign (resid   40 and  name HA   )(resid   41 and  name HD*  ) 3.4 1.6 0.0
 assign (resid   40 and  name HB1  )(resid   45 and  name HA   ) 4.3 2.5 0.0
 assign (resid   40 and  name HB2  )(resid   45 and  name HA   ) 4.3 2.5 0.0
 assign (resid   40 and  name HB*  )(resid   41 and  name HD*  ) 7.7 5.9 0.0
 assign (resid   40 and  name HB*  )(resid   45 and  name HA   ) 6.3 4.5 0.0
 assign (resid   41 and  name HA   )(resid   42 and  name HN   ) 2.8 1.0 0.0
 assign (resid   41 and  name HB*  )(resid   42 and  name HN   ) 4.0 2.2 0.0
 assign (resid   41 and  name HG*  )(resid   42 and  name HN   ) 4.7 2.9 0.0
 assign (resid   41 and  name HG*  )(resid   43 and  name HN   ) 4.1 2.3 0.0
 assign (resid   41 and  name HG*  )(resid   44 and  name HN   ) 8.4 6.6 0.0
 assign (resid   41 and  name HD*  )(resid   44 and  name CG   ) 9.3 7.5 0.0
 assign (resid   41 and  name O    )(resid   43 and  name N    ) 3.0 1.2 0.0
 assign (resid   41 and  name O    )(resid   43 and  name HN   ) 2.0 0.2 0.0
 assign (resid   42 and  name HN   )(resid   42 and  name HB1  ) 3.1 1.3 0.0
 assign (resid   42 and  name HN   )(resid   42 and  name HB2  ) 3.1 1.3 0.0
 assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 3.2 1.4 0.0
 assign (resid   42 and  name HB1  )(resid   43 and  name HN   ) 4.8 3.0 0.0
 assign (resid   42 and  name HB2  )(resid   43 and  name HN   ) 4.8 3.0 0.0
 assign (resid   42 and  name HB*  )(resid   43 and  name HN   ) 4.2 2.4 0.0
 assign (resid   43 and  name HN   )(resid   43 and  name HA   ) 2.8 1.0 0.0
 assign (resid   43 and  name HN   )(resid   43 and  name HB*  ) 3.6 1.8 0.0
 assign (resid   43 and  name HN   )(resid   44 and  name HN   ) 3.0 1.2 0.0
 assign (resid   43 and  name HN   )(resid   44 and  name CG   ) 8.3 6.5 0.0
 assign (resid   43 and  name HN   )(resid   44 and  name CZ   ) 8.5 6.7 0.0
 assign (resid   43 and  name HN   )(resid   45 and  name HD*  ) 7.5 5.7 0.0
 assign (resid   43 and  name HA   )(resid   44 and  name HN   ) 3.5 1.7 0.0
 assign (resid   43 and  name HB*  )(resid   44 and  name HN   ) 4.5 2.7 0.0
 assign (resid   43 and  name HB*  )(resid   44 and  name CG   ) 8.2 6.4 0.0
 assign (resid   43 and  name HB*  )(resid   44 and  name CZ   ) 8.8 7.0 0.0
 assign (resid   44 and  name HN   )(resid   44 and  name HA   ) 2.8 1.0 0.0
 assign (resid   44 and  name HN   )(resid   44 and  name HB*  ) 3.8 2.0 0.0
 assign (resid   44 and  name HN   )(resid   45 and  name HD*  ) 4.6 2.8 0.0
 assign (resid   44 and  name HA   )(resid   44 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   44 and  name HA   )(resid   44 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   44 and  name CG   )(resid   45 and  name HD*  ) 9.5 7.7 0.0
 assign (resid   44 and  name O    )(resid   46 and  name N    ) 3.0 1.2 0.0
 assign (resid   44 and  name O    )(resid   46 and  name HN   ) 2.0 0.2 0.0
 assign (resid   45 and  name HA   )(resid   46 and  name HN   ) 3.4 1.6 0.0
 assign (resid   45 and  name HG*  )(resid   46 and  name HN   ) 5.5 3.7 0.0
 assign (resid   45 and  name HD*  )(resid   46 and  name HN   ) 4.6 2.8 0.0
 assign (resid   45 and  name HD*  )(resid   46 and  name HB*  ) 5.8 4.0 0.0
 assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 2.9 1.1 0.0
 assign (resid   46 and  name HN   )(resid   46 and  name HB1  ) 3.4 1.6 0.0
 assign (resid   46 and  name HN   )(resid   46 and  name HB2  ) 3.4 1.6 0.0
 assign (resid   46 and  name HN   )(resid   46 and  name HB*  ) 3.1 1.3 0.0
 assign (resid   46 and  name HN   )(resid   46 and  name HG*  ) 6.9 5.1 0.0
 assign (resid   46 and  name HN   )(resid   46 and  name HD*  ) 7.5 5.7 0.0
 assign (resid   46 and  name HN   )(resid   46 and  name HE1  ) 6.5 4.7 0.0
 assign (resid   46 and  name HN   )(resid   46 and  name HE2  ) 6.5 4.7 0.0
 assign (resid   46 and  name HA   )(resid   46 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   46 and  name HA   )(resid   46 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   46 and  name HA   )(resid   46 and  name HG*  ) 4.0 2.2 0.0
 assign (resid   46 and  name HA   )(resid   46 and  name HD*  ) 4.4 2.6 0.0
 assign (resid   46 and  name HA   )(resid   46 and  name HE1  ) 6.5 4.7 0.0
 assign (resid   46 and  name HA   )(resid   46 and  name HE2  ) 6.5 4.7 0.0
 assign (resid   46 and  name HB1  )(resid   46 and  name HE1  ) 4.8 3.0 0.0
 assign (resid   46 and  name HB1  )(resid   46 and  name HE2  ) 4.8 3.0 0.0
 assign (resid   46 and  name HB1  )(resid   46 and  name NZ   ) 5.6 3.8 0.0
 assign (resid   46 and  name HB2  )(resid   46 and  name HE1  ) 4.8 3.0 0.0
 assign (resid   46 and  name HB2  )(resid   46 and  name HE2  ) 4.8 3.0 0.0
 assign (resid   46 and  name HB2  )(resid   46 and  name NZ   ) 5.6 3.8 0.0
 assign (resid   46 and  name HB*  )(resid   46 and  name HD*  ) 3.6 1.8 0.0
 assign (resid   46 and  name HB*  )(resid   46 and  name HE*  ) 3.7 1.9 0.0
 assign (resid   46 and  name HB*  )(resid   46 and  name NZ   ) 5.1 3.3 0.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          HT1       LYS   1   2.272   2.485   7.171
    2   2H    LYS   1          HT2       LYS   1   3.613   3.452   7.635
    3   3H    LYS   1          HT3       LYS   1   3.733   1.741   7.664
    4    HA   LYS   1           HA       LYS   1   3.242   3.327   5.239
    5   1HB   LYS   1          HB2       LYS   1   5.605   3.008   4.748
    6   2HB   LYS   1          HB1       LYS   1   5.415   3.854   6.282
    7   1HG   LYS   1          HG2       LYS   1   5.906   1.846   7.504
    8   2HG   LYS   1          HG1       LYS   1   5.948   0.907   6.008
    9   1HD   LYS   1          HD2       LYS   1   8.203   1.425   6.781
   10   2HD   LYS   1          HD1       LYS   1   7.869   2.214   5.242
   11   1HE   LYS   1          HE2       LYS   1   7.371   4.295   6.444
   12   2HE   LYS   1          HE1       LYS   1   7.745   3.502   7.964
   13   1HZ   LYS   1          HZ1       LYS   1   9.984   3.007   6.751
   14   2HZ   LYS   1          HZ2       LYS   1   9.727   4.501   7.491
   15   3HZ   LYS   1          HZ3       LYS   1   9.559   4.353   5.820
   16    H    SER   2           HN       SER   2   4.200   1.942   3.369
   17    HA   SER   2           HA       SER   2   3.766  -0.850   3.753
   18   1HB   SER   2          HB2       SER   2   1.643   0.583   2.912
   19   2HB   SER   2          HB1       SER   2   2.389   0.175   1.364
   20    HG   SER   2           HG       SER   2   1.767  -1.738   1.616
   21    H    CYS   3           HN       CYS   3   4.374  -2.084   1.799
   22    HA   CYS   3           HA       CYS   3   6.638  -0.811   0.467
   23   1HB   CYS   3          HB2       CYS   3   6.115  -3.494   1.465
   24   2HB   CYS   3          HB1       CYS   3   6.883  -3.437  -0.099
   25    H    CYS   4           HN       CYS   4   5.627   0.165  -1.158
   26    HA   CYS   4           HA       CYS   4   4.143  -1.476  -3.031
   27   1HB   CYS   4          HB2       CYS   4   4.239   1.439  -2.666
   28   2HB   CYS   4          HB1       CYS   4   3.515   0.691  -4.086
   29    HA   PRO   5           HA       PRO   5   7.388  -1.470  -6.000
   30   1HB   PRO   5          HB2       PRO   5   6.015  -1.173  -8.339
   31   2HB   PRO   5          HB1       PRO   5   6.078  -2.683  -7.428
   32   1HG   PRO   5          HG2       PRO   5   3.948  -0.579  -7.480
   33   2HG   PRO   5          HG1       PRO   5   3.777  -2.344  -7.497
   34   1HD   PRO   5          HD2       PRO   5   3.403  -0.904  -5.257
   35   2HD   PRO   5          HD1       PRO   5   4.125  -2.529  -5.220
   36    H    ASN   6           HN       ASN   6   5.028   1.065  -6.269
   37    HA   ASN   6           HA       ASN   6   7.013   3.063  -6.399
   38   1HB   ASN   6          HB2       ASN   6   6.791   3.836  -8.683
   39   2HB   ASN   6          HB1       ASN   6   7.302   2.153  -8.686
   40   1HD2  ASN   6          HD21      ASN   6   5.395   0.571  -8.744
   41   2HD2  ASN   6          HD22      ASN   6   4.148   0.942  -9.879
   42    H    THR   7           HN       THR   7   5.921   5.217  -7.304
   43    HA   THR   7           HA       THR   7   3.888   5.905  -5.566
   44    HB   THR   7           HB       THR   7   4.489   7.168  -8.244
   45    HG1  THR   7           HG1      THR   7   5.520   7.791  -5.675
   46   1HG2  THR   7          HG21      THR   7   2.600   8.303  -7.638
   47   2HG2  THR   7          HG22      THR   7   3.832   9.257  -6.807
   48   3HG2  THR   7          HG23      THR   7   2.883   8.070  -5.910
   49    H    THR   8           HN       THR   8   3.665   4.283  -8.597
   50    HA   THR   8           HA       THR   8   0.988   4.885  -9.239
   51    HB   THR   8           HB       THR   8   2.659   2.459  -9.934
   52    HG1  THR   8           HG1      THR   8   3.227   3.573 -11.707
   53   1HG2  THR   8          HG21      THR   8   1.169   1.985 -11.700
   54   2HG2  THR   8          HG22      THR   8   0.244   3.453 -11.415
   55   3HG2  THR   8          HG23      THR   8   0.189   2.140 -10.246
   56    H    GLY   9           HN       GLY   9   2.502   2.356  -7.305
   57   1HA   GLY   9          HA2       GLY   9   0.247   0.756  -6.841
   58   2HA   GLY   9          HA1       GLY   9   1.618   0.922  -5.751
   59    H    ARG  10           HN       ARG  10   1.399   3.662  -5.187
   60    HA   ARG  10           HA       ARG  10  -0.325   3.634  -3.048
   61   1HB   ARG  10          HB2       ARG  10   1.531   5.157  -3.170
   62   2HB   ARG  10          HB1       ARG  10   0.763   6.025  -4.490
   63   1HG   ARG  10          HG2       ARG  10   0.251   7.383  -2.771
   64   2HG   ARG  10          HG1       ARG  10  -1.101   6.286  -2.730
   65   1HD   ARG  10          HD2       ARG  10  -0.099   6.733  -0.496
   66   2HD   ARG  10          HD1       ARG  10  -0.137   5.028  -0.934
   67    HE   ARG  10           HE       ARG  10   2.072   5.011  -0.842
   68   1HH1  ARG  10          HH11      ARG  10   1.009   8.317  -1.171
   69   2HH1  ARG  10          HH12      ARG  10   2.599   8.977  -0.978
   70   1HH2  ARG  10          HH21      ARG  10   4.163   5.877  -0.596
   71   2HH2  ARG  10          HH22      ARG  10   4.385   7.595  -0.656
   72    H    ASN  11           HN       ASN  11  -0.715   4.377  -6.396
   73    HA   ASN  11           HA       ASN  11  -3.088   5.902  -6.235
   74   1HB   ASN  11          HB2       ASN  11  -1.393   5.267  -8.260
   75   2HB   ASN  11          HB1       ASN  11  -2.729   4.173  -8.604
   76   1HD2  ASN  11          HD21      ASN  11  -1.794   7.511  -8.234
   77   2HD2  ASN  11          HD22      ASN  11  -3.133   8.186  -9.087
   78    H    ILE  12           HN       ILE  12  -2.503   2.468  -6.900
   79    HA   ILE  12           HA       ILE  12  -5.181   1.657  -7.017
   80    HB   ILE  12           HB       ILE  12  -2.822   0.085  -6.039
   81   1HG1  ILE  12          HG12      ILE  12  -3.882  -0.035  -8.834
   82   2HG1  ILE  12          HG11      ILE  12  -2.822   1.222  -8.410
   83   1HG2  ILE  12          HG21      ILE  12  -4.505  -1.584  -7.358
   84   2HG2  ILE  12          HG22      ILE  12  -5.639  -0.502  -6.534
   85   3HG2  ILE  12          HG23      ILE  12  -4.417  -1.386  -5.609
   86   1HD1  ILE  12          HD11      ILE  12  -2.098  -1.567  -7.939
   87   2HD1  ILE  12          HD12      ILE  12  -1.042  -0.162  -7.880
   88   3HD1  ILE  12          HD13      ILE  12  -1.709  -0.697  -9.425
   89    H    TYR  13           HN       TYR  13  -2.898   1.704  -4.309
   90    HA   TYR  13           HA       TYR  13  -4.542   0.656  -2.331
   91   1HB   TYR  13          HB2       TYR  13  -2.002   1.720  -2.431
   92   2HB   TYR  13          HB1       TYR  13  -2.855   2.882  -1.437
   93    HD1  TYR  13           HD1      TYR  13  -1.491  -0.392  -1.621
   94    HD2  TYR  13           HD2      TYR  13  -3.874   2.172   0.632
   95    HE1  TYR  13           HE1      TYR  13  -1.237  -1.883   0.233
   96    HE2  TYR  13           HE2      TYR  13  -3.629   0.688   2.567
   97    HH   TYR  13           HH       TYR  13  -2.131  -0.945   3.402
   98    H    ASN  14           HN       ASN  14  -4.238   3.932  -3.571
   99    HA   ASN  14           HA       ASN  14  -6.001   5.122  -1.693
  100   1HB   ASN  14          HB2       ASN  14  -4.406   5.974  -3.939
  101   2HB   ASN  14          HB1       ASN  14  -6.017   6.679  -4.039
  102   1HD2  ASN  14          HD21      ASN  14  -3.050   6.575  -2.291
  103   2HD2  ASN  14          HD22      ASN  14  -3.385   7.900  -1.252
  104    H    THR  15           HN       THR  15  -6.434   3.999  -5.049
  105    HA   THR  15           HA       THR  15  -9.101   4.767  -5.363
  106    HB   THR  15           HB       THR  15  -8.393   2.151  -6.525
  107    HG1  THR  15           HG1      THR  15  -6.841   3.094  -7.919
  108   1HG2  THR  15          HG21      THR  15  -8.737   3.852  -8.596
  109   2HG2  THR  15          HG22      THR  15  -9.724   4.618  -7.354
  110   3HG2  THR  15          HG23      THR  15 -10.028   2.944  -7.812
  111    H    CYS  16           HN       CYS  16  -7.678   2.009  -3.767
  112    HA   CYS  16           HA       CYS  16 -10.163   0.702  -3.287
  113   1HB   CYS  16          HB2       CYS  16  -8.607  -0.872  -3.169
  114   2HB   CYS  16          HB1       CYS  16  -7.316   0.220  -2.828
  115    H    ARG  17           HN       ARG  17  -7.790   2.203  -1.115
  116    HA   ARG  17           HA       ARG  17  -9.266   2.155   1.128
  117   1HB   ARG  17          HB2       ARG  17  -7.005   3.640   0.160
  118   2HB   ARG  17          HB1       ARG  17  -7.963   4.601   1.237
  119   1HG   ARG  17          HG2       ARG  17  -7.491   1.902   2.194
  120   2HG   ARG  17          HG1       ARG  17  -5.999   2.774   1.875
  121   1HD   ARG  17          HD2       ARG  17  -8.109   4.252   3.317
  122   2HD   ARG  17          HD1       ARG  17  -7.329   2.934   4.192
  123    HE   ARG  17           HE       ARG  17  -5.390   4.591   2.975
  124   1HH1  ARG  17          HH11      ARG  17  -7.647   4.533   5.641
  125   2HH1  ARG  17          HH12      ARG  17  -6.714   5.621   6.609
  126   1HH2  ARG  17          HH21      ARG  17  -4.169   6.020   4.252
  127   2HH2  ARG  17          HH22      ARG  17  -4.741   6.464   5.828
  128    H    PHE  18           HN       PHE  18  -9.207   4.768  -1.180
  129    HA   PHE  18           HA       PHE  18 -11.285   6.227   0.088
  130   1HB   PHE  18          HB2       PHE  18  -9.945   6.482  -2.581
  131   2HB   PHE  18          HB1       PHE  18 -11.265   7.535  -2.081
  132    HD1  PHE  18           HD1      PHE  18  -8.160   6.214  -0.472
  133    HD2  PHE  18           HD2      PHE  18 -10.546   9.611  -1.438
  134    HE1  PHE  18           HE1      PHE  18  -6.557   7.673   0.638
  135    HE2  PHE  18           HE2      PHE  18  -8.940  11.071  -0.297
  136    HZ   PHE  18           HZ       PHE  18  -6.939  10.100   0.735
  137    H    GLY  19           HN       GLY  19 -11.167   3.535  -1.954
  138   1HA   GLY  19          HA2       GLY  19 -13.729   3.991  -3.181
  139   2HA   GLY  19          HA1       GLY  19 -12.752   2.542  -3.320
  140    H    GLY  20           HN       GLY  20 -12.512   2.497  -0.314
  141   1HA   GLY  20          HA2       GLY  20 -14.181   2.222   1.397
  142   2HA   GLY  20          HA1       GLY  20 -15.234   1.502   0.242
  143    H    GLY  21           HN       GLY  21 -11.769   0.889   0.662
  144   1HA   GLY  21          HA2       GLY  21 -12.464  -1.840   1.103
  145   2HA   GLY  21          HA1       GLY  21 -10.951  -1.278   0.432
  146    H    SER  22           HN       SER  22  -9.659  -2.341   1.855
  147    HA   SER  22           HA       SER  22  -9.517  -1.137   4.509
  148   1HB   SER  22          HB2       SER  22 -10.628  -3.580   4.262
  149   2HB   SER  22          HB1       SER  22  -8.930  -4.045   4.368
  150    HG   SER  22           HG       SER  22  -8.935  -2.578   6.286
  151    H    ARG  23           HN       ARG  23  -7.370  -3.137   5.189
  152    HA   ARG  23           HA       ARG  23  -5.250  -1.817   3.715
  153   1HB   ARG  23          HB2       ARG  23  -5.191  -3.420   6.265
  154   2HB   ARG  23          HB1       ARG  23  -3.774  -2.713   5.512
  155   1HG   ARG  23          HG2       ARG  23  -6.095  -1.334   6.793
  156   2HG   ARG  23          HG1       ARG  23  -4.384  -1.250   7.228
  157   1HD   ARG  23          HD2       ARG  23  -4.738   0.667   6.128
  158   2HD   ARG  23          HD1       ARG  23  -4.082  -0.302   4.852
  159    HE   ARG  23           HE       ARG  23  -6.071  -0.132   3.751
  160   1HH1  ARG  23          HH11      ARG  23  -6.550   0.790   7.072
  161   2HH1  ARG  23          HH12      ARG  23  -8.175   1.317   6.808
  162   1HH2  ARG  23          HH21      ARG  23  -8.218   0.516   3.414
  163   2HH2  ARG  23          HH22      ARG  23  -9.124   1.164   4.735
  164    H    GLN  24           HN       GLN  24  -6.234  -5.063   4.715
  165    HA   GLN  24           HA       GLN  24  -4.218  -6.411   3.269
  166   1HB   GLN  24          HB2       GLN  24  -6.566  -7.128   4.818
  167   2HB   GLN  24          HB1       GLN  24  -6.398  -8.153   3.398
  168   1HG   GLN  24          HG2       GLN  24  -3.888  -8.264   4.260
  169   2HG   GLN  24          HG1       GLN  24  -4.683  -7.925   5.796
  170   1HE2  GLN  24          HE21      GLN  24  -3.969 -10.022   6.466
  171   2HE2  GLN  24          HE22      GLN  24  -4.846 -11.430   5.997
  172    H    VAL  25           HN       VAL  25  -7.566  -5.574   2.510
  173    HA   VAL  25           HA       VAL  25  -7.656  -6.762   0.015
  174    HB   VAL  25           HB       VAL  25  -9.173  -4.288   0.810
  175   1HG1  VAL  25          HG11      VAL  25  -9.528  -6.373  -1.223
  176   2HG1  VAL  25          HG12      VAL  25  -9.570  -4.618  -1.372
  177   3HG1  VAL  25          HG13      VAL  25 -10.912  -5.470  -0.607
  178   1HG2  VAL  25          HG21      VAL  25 -10.959  -5.999   1.453
  179   2HG2  VAL  25          HG22      VAL  25  -9.602  -5.799   2.559
  180   3HG2  VAL  25          HG23      VAL  25  -9.651  -7.178   1.470
  181    H    CYS  26           HN       CYS  26  -6.762  -3.535   1.058
  182    HA   CYS  26           HA       CYS  26  -6.320  -2.406  -1.405
  183   1HB   CYS  26          HB2       CYS  26  -5.855  -1.690   1.283
  184   2HB   CYS  26          HB1       CYS  26  -4.493  -1.219   0.295
  185    H    ALA  27           HN       ALA  27  -4.268  -4.141   0.808
  186    HA   ALA  27           HA       ALA  27  -1.824  -3.884  -0.472
  187   1HB   ALA  27          HB1       ALA  27  -2.203  -6.454   0.793
  188   2HB   ALA  27          HB2       ALA  27  -2.624  -5.054   1.784
  189   3HB   ALA  27          HB3       ALA  27  -1.011  -5.180   1.079
  190    H    SER  28           HN       SER  28  -4.385  -6.282  -0.773
  191    HA   SER  28           HA       SER  28  -2.989  -7.815  -2.737
  192   1HB   SER  28          HB2       SER  28  -5.674  -7.891  -1.468
  193   2HB   SER  28          HB1       SER  28  -5.513  -8.664  -3.045
  194    HG   SER  28           HG       SER  28  -4.037  -9.230  -0.692
  195    H    LEU  29           HN       LEU  29  -4.594  -4.870  -2.830
  196    HA   LEU  29           HA       LEU  29  -5.509  -5.159  -5.556
  197   1HB   LEU  29          HB2       LEU  29  -6.158  -3.453  -3.337
  198   2HB   LEU  29          HB1       LEU  29  -5.787  -2.487  -4.751
  199    HG   LEU  29           HG       LEU  29  -7.456  -4.314  -5.843
  200   1HD1  LEU  29          HD11      LEU  29  -9.399  -4.426  -4.233
  201   2HD1  LEU  29          HD12      LEU  29  -8.262  -3.980  -2.965
  202   3HD1  LEU  29          HD13      LEU  29  -8.030  -5.478  -3.868
  203   1HD2  LEU  29          HD21      LEU  29  -9.228  -2.417  -5.071
  204   2HD2  LEU  29          HD22      LEU  29  -8.082  -2.224  -6.400
  205   3HD2  LEU  29          HD23      LEU  29  -7.701  -1.572  -4.800
  206    H    SER  30           HN       SER  30  -2.984  -3.620  -3.691
  207    HA   SER  30           HA       SER  30  -1.882  -2.444  -6.156
  208   1HB   SER  30          HB2       SER  30  -0.961  -1.852  -3.348
  209   2HB   SER  30          HB1       SER  30  -0.691  -0.898  -4.806
  210    HG   SER  30           HG       SER  30  -3.197  -1.346  -3.557
  211    H    GLY  31           HN       GLY  31  -1.457  -5.013  -3.960
  212   1HA   GLY  31          HA2       GLY  31   0.000  -6.742  -4.033
  213   2HA   GLY  31          HA1       GLY  31   0.776  -5.934  -5.377
  214    H    CYS  32           HN       CYS  32   0.342  -3.997  -2.595
  215    HA   CYS  32           HA       CYS  32   3.205  -3.949  -2.156
  216   1HB   CYS  32          HB2       CYS  32   1.136  -2.432  -0.576
  217   2HB   CYS  32          HB1       CYS  32   2.829  -2.030  -0.818
  218    H    LYS  33           HN       LYS  33   3.944  -3.823   0.095
  219    HA   LYS  33           HA       LYS  33   2.867  -6.156   1.502
  220   1HB   LYS  33          HB2       LYS  33   5.472  -5.456   0.811
  221   2HB   LYS  33          HB1       LYS  33   5.378  -5.116   2.533
  222   1HG   LYS  33          HG2       LYS  33   6.123  -7.312   2.429
  223   2HG   LYS  33          HG1       LYS  33   4.391  -7.460   2.761
  224   1HD   LYS  33          HD2       LYS  33   5.257  -7.435  -0.061
  225   2HD   LYS  33          HD1       LYS  33   5.584  -8.886   0.867
  226   1HE   LYS  33          HE2       LYS  33   3.094  -8.675   1.573
  227   2HE   LYS  33          HE1       LYS  33   2.958  -7.648   0.154
  228   1HZ   LYS  33          HZ1       LYS  33   3.394 -10.521   0.337
  229   2HZ   LYS  33          HZ2       LYS  33   4.211  -9.717  -0.855
  230   3HZ   LYS  33          HZ3       LYS  33   2.525  -9.629  -0.761
  231    H    ILE  34           HN       ILE  34   1.877  -5.944   3.403
  232    HA   ILE  34           HA       ILE  34   1.590  -3.292   4.550
  233    HB   ILE  34           HB       ILE  34   0.394  -5.858   5.556
  234   1HG1  ILE  34          HG12      ILE  34  -0.192  -5.649   3.249
  235   2HG1  ILE  34          HG11      ILE  34  -1.559  -5.175   4.259
  236   1HG2  ILE  34          HG21      ILE  34   0.176  -3.011   6.226
  237   2HG2  ILE  34          HG22      ILE  34  -0.060  -4.446   7.222
  238   3HG2  ILE  34          HG23      ILE  34  -1.308  -3.905   6.105
  239   1HD1  ILE  34          HD11      ILE  34   0.197  -3.453   2.606
  240   2HD1  ILE  34          HD12      ILE  34  -0.722  -2.782   3.914
  241   3HD1  ILE  34          HD13      ILE  34  -1.511  -3.582   2.560
  242    H    ILE  35           HN       ILE  35   3.181  -2.611   5.832
  243    HA   ILE  35           HA       ILE  35   4.552  -4.506   7.582
  244    HB   ILE  35           HB       ILE  35   5.919  -2.966   6.232
  245   1HG1  ILE  35          HG12      ILE  35   6.861  -1.803   8.586
  246   2HG1  ILE  35          HG11      ILE  35   6.057  -3.281   9.117
  247   1HG2  ILE  35          HG21      ILE  35   5.239  -0.905   5.943
  248   2HG2  ILE  35          HG22      ILE  35   5.735  -0.585   7.598
  249   3HG2  ILE  35          HG23      ILE  35   4.065  -1.053   7.258
  250   1HD1  ILE  35          HD11      ILE  35   7.740  -3.710   6.799
  251   2HD1  ILE  35          HD12      ILE  35   7.694  -4.558   8.341
  252   3HD1  ILE  35          HD13      ILE  35   8.631  -3.072   8.178
  253    H    SER  36           HN       SER  36   4.552  -4.365   9.802
  254    HA   SER  36           HA       SER  36   2.417  -2.743  10.958
  255   1HB   SER  36          HB2       SER  36   2.857  -5.339  11.315
  256   2HB   SER  36          HB1       SER  36   3.931  -4.750  12.571
  257    HG   SER  36           HG       SER  36   1.749  -5.140  13.284
  258    H    ALA  37           HN       ALA  37   4.889  -1.534  10.184
  259    HA   ALA  37           HA       ALA  37   5.418  -0.117  12.570
  260   1HB   ALA  37          HB1       ALA  37   7.932  -1.311  11.614
  261   2HB   ALA  37          HB2       ALA  37   6.855  -2.307  12.555
  262   3HB   ALA  37          HB3       ALA  37   7.446  -0.839  13.240
  263    H    SER  38           HN       SER  38   7.827   1.043  11.974
  264    HA   SER  38           HA       SER  38   7.129   2.539   9.596
  265   1HB   SER  38          HB2       SER  38   9.423   3.208  11.413
  266   2HB   SER  38          HB1       SER  38   8.423   4.292  10.442
  267    HG   SER  38           HG       SER  38   7.843   3.043  12.898
  268    H    THR  39           HN       THR  39   8.454  -0.176   9.608
  269    HA   THR  39           HA       THR  39  10.791   0.540   7.969
  270    HB   THR  39           HB       THR  39  10.577  -2.094   9.246
  271    HG1  THR  39           HG1      THR  39  10.252  -0.876  11.015
  272   1HG2  THR  39          HG21      THR  39  12.567  -2.197   8.271
  273   2HG2  THR  39          HG22      THR  39  13.123  -1.196   9.578
  274   3HG2  THR  39          HG23      THR  39  12.657  -0.500   8.025
  275    H    CYS  40           HN       CYS  40  11.360  -1.472   6.536
  276    HA   CYS  40           HA       CYS  40   9.121  -2.928   5.579
  277   1HB   CYS  40          HB2       CYS  40   9.343  -0.443   4.526
  278   2HB   CYS  40          HB1       CYS  40  10.179  -1.395   3.334
  279    HA   PRO  41           HA       PRO  41  12.544  -5.509   4.458
  280   1HB   PRO  41          HB2       PRO  41  11.245  -7.350   2.961
  281   2HB   PRO  41          HB1       PRO  41  11.075  -7.267   4.716
  282   1HG   PRO  41          HG2       PRO  41   9.254  -6.218   2.591
  283   2HG   PRO  41          HG1       PRO  41   8.847  -7.079   4.084
  284   1HD   PRO  41          HD2       PRO  41   8.651  -4.384   3.839
  285   2HD   PRO  41          HD1       PRO  41   9.022  -5.190   5.375
  286    H    SER  42           HN       SER  42  12.956  -6.878   2.165
  287    HA   SER  42           HA       SER  42  13.654  -4.780   0.313
  288   1HB   SER  42          HB2       SER  42  14.993  -6.978   1.026
  289   2HB   SER  42          HB1       SER  42  14.117  -7.652  -0.329
  290    HG   SER  42           HG       SER  42  16.134  -5.751  -0.259
  291    H    ASP  43           HN       ASP  43  10.934  -4.972   0.468
  292    HA   ASP  43           HA       ASP  43  10.171  -6.261  -1.960
  293   1HB   ASP  43          HB2       ASP  43   9.068  -6.993   0.185
  294   2HB   ASP  43          HB1       ASP  43   8.211  -5.461   0.097
  295    H    TYR  44           HN       TYR  44  11.391  -3.905  -2.246
  296    HA   TYR  44           HA       TYR  44  11.228  -1.748  -2.970
  297   1HB   TYR  44          HB2       TYR  44   8.894  -1.486  -4.329
  298   2HB   TYR  44          HB1       TYR  44  10.331  -2.256  -4.984
  299    HD1  TYR  44           HD1      TYR  44  10.498  -4.765  -4.931
  300    HD2  TYR  44           HD2      TYR  44   6.900  -2.709  -3.975
  301    HE1  TYR  44           HE1      TYR  44   9.227  -6.839  -5.283
  302    HE2  TYR  44           HE2      TYR  44   5.614  -4.783  -4.324
  303    HH   TYR  44           HH       TYR  44   6.740  -7.392  -5.933
  304    HA   PRO  45           HA       PRO  45   8.542  -0.254   0.313
  305   1HB   PRO  45          HB2       PRO  45  10.321   1.395   1.393
  306   2HB   PRO  45          HB1       PRO  45  10.392  -0.312   1.707
  307   1HG   PRO  45          HG2       PRO  45  12.010   1.300  -0.158
  308   2HG   PRO  45          HG1       PRO  45  12.531   0.011   0.890
  309   1HD   PRO  45          HD2       PRO  45  12.047  -0.305  -1.711
  310   2HD   PRO  45          HD1       PRO  45  11.913  -1.561  -0.545
  311    H    LYS  46           HN       LYS  46   7.922   0.555  -2.063
  312    HA   LYS  46           HA       LYS  46   8.269   3.466  -2.038
  313   1HB   LYS  46          HB2       LYS  46   8.379   1.525  -4.136
  314   2HB   LYS  46          HB1       LYS  46   7.045   2.624  -4.456
  315   1HG   LYS  46          HG2       LYS  46   9.915   3.404  -3.961
  316   2HG   LYS  46          HG1       LYS  46   9.094   3.392  -5.514
  317   1HD   LYS  46          HD2       LYS  46   7.884   4.968  -3.305
  318   2HD   LYS  46          HD1       LYS  46   9.328   5.607  -4.082
  319   1HE   LYS  46          HE2       LYS  46   7.845   4.875  -6.238
  320   2HE   LYS  46          HE1       LYS  46   6.581   5.355  -5.097
  321   1HZ   LYS  46          HZ1       LYS  46   7.413   7.508  -4.977
  322   2HZ   LYS  46          HZ2       LYS  46   7.571   7.132  -6.616
  323   3HZ   LYS  46          HZ3       LYS  46   8.929   7.081  -5.604
  Start of MODEL    2
    1   1H    LYS   1          HT1       LYS   1  -1.555   1.280   6.025
    2   2H    LYS   1          HT2       LYS   1  -0.868   2.713   6.670
    3   3H    LYS   1          HT3       LYS   1  -0.103   1.203   6.935
    4    HA   LYS   1           HA       LYS   1  -0.540   2.322   4.262
    5   1HB   LYS   1          HB2       LYS   1   1.636   3.203   4.364
    6   2HB   LYS   1          HB1       LYS   1   0.730   3.870   5.683
    7   1HG   LYS   1          HG2       LYS   1   1.701   2.161   7.186
    8   2HG   LYS   1          HG1       LYS   1   2.740   1.679   5.844
    9   1HD   LYS   1          HD2       LYS   1   2.612   4.473   6.969
   10   2HD   LYS   1          HD1       LYS   1   3.813   3.272   7.435
   11   1HE   LYS   1          HE2       LYS   1   3.427   4.595   4.770
   12   2HE   LYS   1          HE1       LYS   1   4.855   4.597   5.800
   13   1HZ   LYS   1          HZ1       LYS   1   3.808   2.409   4.118
   14   2HZ   LYS   1          HZ2       LYS   1   4.863   2.092   5.405
   15   3HZ   LYS   1          HZ3       LYS   1   5.359   3.085   4.127
   16    H    SER   2           HN       SER   2   1.379   1.517   2.945
   17    HA   SER   2           HA       SER   2   2.277  -1.060   3.676
   18   1HB   SER   2          HB2       SER   2   0.078  -0.673   1.873
   19   2HB   SER   2          HB1       SER   2   1.355  -1.490   1.085
   20    HG   SER   2           HG       SER   2   0.327  -2.230   3.618
   21    H    CYS   3           HN       CYS   3   3.821  -1.921   2.053
   22    HA   CYS   3           HA       CYS   3   5.261   0.215   0.747
   23   1HB   CYS   3          HB2       CYS   3   6.428  -2.368   1.572
   24   2HB   CYS   3          HB1       CYS   3   7.291  -0.948   1.084
   25    H    CYS   4           HN       CYS   4   4.988   0.281  -1.280
   26    HA   CYS   4           HA       CYS   4   4.694  -2.158  -2.775
   27   1HB   CYS   4          HB2       CYS   4   3.091   0.074  -2.776
   28   2HB   CYS   4          HB1       CYS   4   3.987   0.126  -4.299
   29    HA   PRO   5           HA       PRO   5   8.551  -1.387  -4.755
   30   1HB   PRO   5          HB2       PRO   5   8.152  -2.538  -7.176
   31   2HB   PRO   5          HB1       PRO   5   8.391  -3.464  -5.692
   32   1HG   PRO   5          HG2       PRO   5   5.843  -2.790  -7.104
   33   2HG   PRO   5          HG1       PRO   5   6.341  -4.320  -6.361
   34   1HD   PRO   5          HD2       PRO   5   4.661  -2.594  -5.141
   35   2HD   PRO   5          HD1       PRO   5   5.794  -3.618  -4.238
   36    H    ASN   6           HN       ASN   6   5.614  -0.198  -6.192
   37    HA   ASN   6           HA       ASN   6   7.210   1.819  -7.514
   38   1HB   ASN   6          HB2       ASN   6   5.258   1.649  -9.340
   39   2HB   ASN   6          HB1       ASN   6   6.752   0.728  -9.471
   40   1HD2  ASN   6          HD21      ASN   6   3.994   0.186  -7.325
   41   2HD2  ASN   6          HD22      ASN   6   3.598  -1.293  -7.945
   42    H    THR   7           HN       THR   7   6.332   3.845  -7.524
   43    HA   THR   7           HA       THR   7   4.543   4.561  -5.532
   44    HB   THR   7           HB       THR   7   5.131   6.077  -8.082
   45    HG1  THR   7           HG1      THR   7   6.409   6.277  -5.561
   46   1HG2  THR   7          HG21      THR   7   3.257   7.065  -6.896
   47   2HG2  THR   7          HG22      THR   7   4.691   8.089  -6.774
   48   3HG2  THR   7          HG23      THR   7   4.199   7.090  -5.406
   49    H    THR   8           HN       THR   8   3.928   3.347  -8.682
   50    HA   THR   8           HA       THR   8   1.346   4.358  -9.125
   51    HB   THR   8           HB       THR   8   2.458   1.693 -10.027
   52    HG1  THR   8           HG1      THR   8   2.636   4.254 -11.221
   53   1HG2  THR   8          HG21      THR   8   0.979   1.891 -11.913
   54   2HG2  THR   8          HG22      THR   8   0.358   3.426 -11.306
   55   3HG2  THR   8          HG23      THR   8   0.048   1.938 -10.415
   56    H    GLY   9           HN       GLY   9   2.521   1.504  -7.414
   57   1HA   GLY   9          HA2       GLY   9   0.056   0.272  -6.927
   58   2HA   GLY   9          HA1       GLY   9   1.477   0.126  -5.906
   59    H    ARG  10           HN       ARG  10   1.725   2.845  -5.201
   60    HA   ARG  10           HA       ARG  10   0.096   2.952  -2.956
   61   1HB   ARG  10          HB2       ARG  10   2.189   4.161  -3.092
   62   2HB   ARG  10          HB1       ARG  10   1.526   5.207  -4.337
   63   1HG   ARG  10          HG2       ARG  10   1.165   6.587  -2.601
   64   2HG   ARG  10          HG1       ARG  10  -0.205   5.600  -2.397
   65   1HD   ARG  10          HD2       ARG  10   2.295   4.843  -1.076
   66   2HD   ARG  10          HD1       ARG  10   1.224   6.040  -0.350
   67    HE   ARG  10           HE       ARG  10  -0.006   3.572  -1.064
   68   1HH1  ARG  10          HH11      ARG  10   1.715   5.261   1.331
   69   2HH1  ARG  10          HH12      ARG  10   1.106   4.280   2.614
   70   1HH2  ARG  10          HH21      ARG  10  -0.809   2.277   0.565
   71   2HH2  ARG  10          HH22      ARG  10  -0.294   2.585   2.168
   72    H    ASN  11           HN       ASN  11  -0.303   3.964  -6.231
   73    HA   ASN  11           HA       ASN  11  -2.400   5.826  -5.825
   74   1HB   ASN  11          HB2       ASN  11  -0.925   5.087  -7.979
   75   2HB   ASN  11          HB1       ASN  11  -2.434   4.246  -8.321
   76   1HD2  ASN  11          HD21      ASN  11  -0.817   7.260  -8.200
   77   2HD2  ASN  11          HD22      ASN  11  -2.121   8.238  -8.758
   78    H    ILE  12           HN       ILE  12  -2.380   2.399  -6.738
   79    HA   ILE  12           HA       ILE  12  -5.163   2.029  -6.743
   80    HB   ILE  12           HB       ILE  12  -3.047   0.032  -6.061
   81   1HG1  ILE  12          HG12      ILE  12  -4.183   0.174  -8.793
   82   2HG1  ILE  12          HG11      ILE  12  -3.079   1.423  -8.347
   83   1HG2  ILE  12          HG21      ILE  12  -4.867  -1.196  -5.678
   84   2HG2  ILE  12          HG22      ILE  12  -5.033  -1.222  -7.434
   85   3HG2  ILE  12          HG23      ILE  12  -5.944  -0.056  -6.477
   86   1HD1  ILE  12          HD11      ILE  12  -1.753  -0.740  -7.505
   87   2HD1  ILE  12          HD12      ILE  12  -1.472   0.083  -9.020
   88   3HD1  ILE  12          HD13      ILE  12  -2.545  -1.276  -8.981
   89    H    TYR  13           HN       TYR  13  -2.725   1.549  -4.217
   90    HA   TYR  13           HA       TYR  13  -4.373   0.545  -2.201
   91   1HB   TYR  13          HB2       TYR  13  -1.715   1.261  -2.420
   92   2HB   TYR  13          HB1       TYR  13  -2.335   2.435  -1.259
   93    HD1  TYR  13           HD1      TYR  13  -1.275  -0.881  -1.766
   94    HD2  TYR  13           HD2      TYR  13  -3.486   1.584   0.739
   95    HE1  TYR  13           HE1      TYR  13  -1.101  -2.553  -0.015
   96    HE2  TYR  13           HE2      TYR  13  -3.324  -0.051   2.536
   97    HH   TYR  13           HH       TYR  13  -1.212  -2.687   2.360
   98    H    ASN  14           HN       ASN  14  -3.679   3.838  -3.222
   99    HA   ASN  14           HA       ASN  14  -5.129   5.104  -1.132
  100   1HB   ASN  14          HB2       ASN  14  -3.582   5.914  -3.418
  101   2HB   ASN  14          HB1       ASN  14  -5.090   6.826  -3.374
  102   1HD2  ASN  14          HD21      ASN  14  -1.976   6.505  -2.119
  103   2HD2  ASN  14          HD22      ASN  14  -2.102   7.672  -0.851
  104    H    THR  15           HN       THR  15  -5.936   4.410  -4.539
  105    HA   THR  15           HA       THR  15  -8.511   5.494  -4.517
  106    HB   THR  15           HB       THR  15  -8.074   3.009  -6.067
  107    HG1  THR  15           HG1      THR  15  -6.075   3.743  -6.408
  108   1HG2  THR  15          HG21      THR  15  -8.624   4.983  -7.844
  109   2HG2  THR  15          HG22      THR  15  -9.465   5.555  -6.400
  110   3HG2  THR  15          HG23      THR  15  -9.831   3.961  -7.059
  111    H    CYS  16           HN       CYS  16  -7.284   2.471  -3.330
  112    HA   CYS  16           HA       CYS  16  -9.834   1.269  -2.907
  113   1HB   CYS  16          HB2       CYS  16  -8.371  -0.369  -3.040
  114   2HB   CYS  16          HB1       CYS  16  -7.010   0.575  -2.576
  115    H    ARG  17           HN       ARG  17  -7.306   2.463  -0.718
  116    HA   ARG  17           HA       ARG  17  -8.665   2.247   1.587
  117   1HB   ARG  17          HB2       ARG  17  -6.384   3.712   0.632
  118   2HB   ARG  17          HB1       ARG  17  -7.229   4.610   1.849
  119   1HG   ARG  17          HG2       ARG  17  -6.881   1.817   2.554
  120   2HG   ARG  17          HG1       ARG  17  -5.342   2.615   2.212
  121   1HD   ARG  17          HD2       ARG  17  -7.434   3.420   4.222
  122   2HD   ARG  17          HD1       ARG  17  -5.787   2.878   4.541
  123    HE   ARG  17           HE       ARG  17  -5.519   5.122   2.987
  124   1HH1  ARG  17          HH11      ARG  17  -7.027   4.381   6.048
  125   2HH1  ARG  17          HH12      ARG  17  -6.788   5.967   6.695
  126   1HH2  ARG  17          HH21      ARG  17  -5.198   7.206   3.833
  127   2HH2  ARG  17          HH22      ARG  17  -5.750   7.578   5.438
  128    H    PHE  18           HN       PHE  18  -8.591   5.068  -0.478
  129    HA   PHE  18           HA       PHE  18 -10.568   6.451   1.022
  130   1HB   PHE  18          HB2       PHE  18  -9.260   7.057  -1.587
  131   2HB   PHE  18          HB1       PHE  18 -10.452   8.111  -0.830
  132    HD1  PHE  18           HD1      PHE  18  -7.206   6.436  -0.094
  133    HD2  PHE  18           HD2      PHE  18  -9.731   9.800   0.523
  134    HE1  PHE  18           HE1      PHE  18  -5.425   7.519   1.145
  135    HE2  PHE  18           HE2      PHE  18  -7.952  10.893   1.795
  136    HZ   PHE  18           HZ       PHE  18  -5.796   9.755   2.101
  137    H    GLY  19           HN       GLY  19 -10.658   3.992  -1.200
  138   1HA   GLY  19          HA2       GLY  19 -13.224   4.819  -2.309
  139   2HA   GLY  19          HA1       GLY  19 -12.245   3.470  -2.870
  140    H    GLY  20           HN       GLY  20 -11.916   2.709   0.052
  141   1HA   GLY  20          HA2       GLY  20 -13.603   1.968   1.664
  142   2HA   GLY  20          HA1       GLY  20 -14.576   1.457   0.338
  143    H    GLY  21           HN       GLY  21 -11.140   1.007   1.137
  144   1HA   GLY  21          HA2       GLY  21 -11.597  -1.798   1.191
  145   2HA   GLY  21          HA1       GLY  21 -10.366  -1.152   0.163
  146    H    SER  22           HN       SER  22 -10.680  -2.700   2.867
  147    HA   SER  22           HA       SER  22  -9.170  -1.293   4.758
  148   1HB   SER  22          HB2       SER  22 -10.614  -3.506   4.935
  149   2HB   SER  22          HB1       SER  22  -9.063  -4.286   4.642
  150    HG   SER  22           HG       SER  22  -9.432  -3.997   6.868
  151    H    ARG  23           HN       ARG  23  -7.218  -3.508   5.249
  152    HA   ARG  23           HA       ARG  23  -5.164  -2.484   3.501
  153   1HB   ARG  23          HB2       ARG  23  -5.002  -4.211   5.959
  154   2HB   ARG  23          HB1       ARG  23  -3.608  -3.660   5.042
  155   1HG   ARG  23          HG2       ARG  23  -5.511  -2.088   6.728
  156   2HG   ARG  23          HG1       ARG  23  -3.750  -2.172   6.819
  157   1HD   ARG  23          HD2       ARG  23  -4.087  -0.158   5.842
  158   2HD   ARG  23          HD1       ARG  23  -3.834  -1.144   4.441
  159    HE   ARG  23           HE       ARG  23  -6.041  -0.819   3.834
  160   1HH1  ARG  23          HH11      ARG  23  -5.511   0.359   7.046
  161   2HH1  ARG  23          HH12      ARG  23  -7.031   1.190   7.109
  162   1HH2  ARG  23          HH21      ARG  23  -8.038   0.197   3.917
  163   2HH2  ARG  23          HH22      ARG  23  -8.461   1.094   5.331
  164    H    GLN  24           HN       GLN  24  -6.652  -5.565   4.338
  165    HA   GLN  24           HA       GLN  24  -4.959  -7.161   2.730
  166   1HB   GLN  24          HB2       GLN  24  -7.384  -7.526   4.279
  167   2HB   GLN  24          HB1       GLN  24  -7.441  -8.443   2.778
  168   1HG   GLN  24          HG2       GLN  24  -5.002  -9.129   3.551
  169   2HG   GLN  24          HG1       GLN  24  -5.675  -8.757   5.139
  170   1HE2  GLN  24          HE21      GLN  24  -4.980 -11.214   5.003
  171   2HE2  GLN  24          HE22      GLN  24  -6.295 -12.292   4.701
  172    H    VAL  25           HN       VAL  25  -8.139  -5.723   2.146
  173    HA   VAL  25           HA       VAL  25  -8.454  -6.615  -0.387
  174    HB   VAL  25           HB       VAL  25  -9.508  -4.026   0.683
  175   1HG1  VAL  25          HG11      VAL  25 -10.056  -5.582  -1.704
  176   2HG1  VAL  25          HG12      VAL  25 -10.072  -3.841  -1.431
  177   3HG1  VAL  25          HG13      VAL  25 -11.427  -4.838  -0.890
  178   1HG2  VAL  25          HG21      VAL  25 -11.595  -5.567   0.995
  179   2HG2  VAL  25          HG22      VAL  25 -10.312  -5.562   2.198
  180   3HG2  VAL  25          HG23      VAL  25 -10.396  -6.857   1.004
  181    H    CYS  26           HN       CYS  26  -6.979  -3.708   0.859
  182    HA   CYS  26           HA       CYS  26  -6.392  -2.442  -1.501
  183   1HB   CYS  26          HB2       CYS  26  -5.778  -2.066   1.225
  184   2HB   CYS  26          HB1       CYS  26  -4.369  -1.745   0.235
  185    H    ALA  27           HN       ALA  27  -4.644  -4.719   0.459
  186    HA   ALA  27           HA       ALA  27  -2.214  -4.730  -0.866
  187   1HB   ALA  27          HB1       ALA  27  -2.942  -7.327   0.149
  188   2HB   ALA  27          HB2       ALA  27  -3.186  -6.007   1.279
  189   3HB   ALA  27          HB3       ALA  27  -1.601  -6.259   0.558
  190    H    SER  28           HN       SER  28  -5.176  -6.587  -1.345
  191    HA   SER  28           HA       SER  28  -4.035  -8.088  -3.508
  192   1HB   SER  28          HB2       SER  28  -6.082  -8.619  -1.815
  193   2HB   SER  28          HB1       SER  28  -6.982  -8.017  -3.208
  194    HG   SER  28           HG       SER  28  -6.669 -10.243  -3.396
  195    H    LEU  29           HN       LEU  29  -5.139  -4.979  -3.222
  196    HA   LEU  29           HA       LEU  29  -6.178  -4.853  -5.932
  197   1HB   LEU  29          HB2       LEU  29  -6.707  -3.424  -3.504
  198   2HB   LEU  29          HB1       LEU  29  -6.236  -2.302  -4.762
  199    HG   LEU  29           HG       LEU  29  -8.056  -3.855  -6.082
  200   1HD1  LEU  29          HD11      LEU  29 -10.024  -3.965  -4.537
  201   2HD1  LEU  29          HD12      LEU  29  -8.909  -3.668  -3.202
  202   3HD1  LEU  29          HD13      LEU  29  -8.739  -5.118  -4.186
  203   1HD2  LEU  29          HD21      LEU  29  -9.633  -1.863  -5.137
  204   2HD2  LEU  29          HD22      LEU  29  -8.466  -1.679  -6.449
  205   3HD2  LEU  29          HD23      LEU  29  -8.021  -1.212  -4.807
  206    H    SER  30           HN       SER  30  -3.550  -3.828  -3.894
  207    HA   SER  30           HA       SER  30  -2.293  -2.484  -6.202
  208   1HB   SER  30          HB2       SER  30  -1.578  -2.104  -3.296
  209   2HB   SER  30          HB1       SER  30  -1.068  -1.117  -4.664
  210    HG   SER  30           HG       SER  30  -3.602  -1.292  -3.436
  211    H    GLY  31           HN       GLY  31  -2.202  -5.291  -4.366
  212   1HA   GLY  31          HA2       GLY  31  -0.705  -6.993  -4.184
  213   2HA   GLY  31          HA1       GLY  31  -0.015  -6.334  -5.644
  214    H    CYS  32           HN       CYS  32  -0.184  -4.343  -2.804
  215    HA   CYS  32           HA       CYS  32   2.661  -4.215  -2.695
  216   1HB   CYS  32          HB2       CYS  32   0.711  -2.848  -0.853
  217   2HB   CYS  32          HB1       CYS  32   2.380  -2.402  -1.180
  218    H    LYS  33           HN       LYS  33   3.645  -4.125  -0.470
  219    HA   LYS  33           HA       LYS  33   2.919  -6.607   0.840
  220   1HB   LYS  33          HB2       LYS  33   5.368  -5.549   0.054
  221   2HB   LYS  33          HB1       LYS  33   5.343  -5.318   1.782
  222   1HG   LYS  33          HG2       LYS  33   6.296  -7.393   1.609
  223   2HG   LYS  33          HG1       LYS  33   4.596  -7.809   1.832
  224   1HD   LYS  33          HD2       LYS  33   5.685  -7.455  -0.864
  225   2HD   LYS  33          HD1       LYS  33   5.982  -8.960  -0.023
  226   1HE   LYS  33          HE2       LYS  33   3.334  -8.656   0.374
  227   2HE   LYS  33          HE1       LYS  33   3.488  -7.881  -1.128
  228   1HZ   LYS  33          HZ1       LYS  33   3.800 -10.673  -0.436
  229   2HZ   LYS  33          HZ2       LYS  33   4.898 -10.092  -1.538
  230   3HZ   LYS  33          HZ3       LYS  33   3.238  -9.988  -1.834
  231    H    ILE  34           HN       ILE  34   1.862  -6.549   2.707
  232    HA   ILE  34           HA       ILE  34   0.991  -4.236   3.954
  233    HB   ILE  34           HB       ILE  34   1.368  -6.918   5.290
  234   1HG1  ILE  34          HG12      ILE  34   0.091  -7.224   3.263
  235   2HG1  ILE  34          HG11      ILE  34  -0.926  -7.310   4.638
  236   1HG2  ILE  34          HG21      ILE  34   0.837  -5.525   7.029
  237   2HG2  ILE  34          HG22      ILE  34  -0.686  -5.996   6.482
  238   3HG2  ILE  34          HG23      ILE  34  -0.030  -4.435   6.009
  239   1HD1  ILE  34          HD11      ILE  34  -0.516  -4.870   2.923
  240   2HD1  ILE  34          HD12      ILE  34  -1.709  -5.086   4.208
  241   3HD1  ILE  34          HD13      ILE  34  -1.830  -6.034   2.730
  242    H    ILE  35           HN       ILE  35   1.698  -2.988   5.617
  243    HA   ILE  35           HA       ILE  35   4.517  -3.256   6.311
  244    HB   ILE  35           HB       ILE  35   3.530  -1.103   5.522
  245   1HG1  ILE  35          HG12      ILE  35   4.745   0.194   7.249
  246   2HG1  ILE  35          HG11      ILE  35   4.895  -1.229   8.212
  247   1HG2  ILE  35          HG21      ILE  35   2.051   0.074   6.764
  248   2HG2  ILE  35          HG22      ILE  35   2.496  -0.681   8.278
  249   3HG2  ILE  35          HG23      ILE  35   1.481  -1.508   7.116
  250   1HD1  ILE  35          HD11      ILE  35   5.862  -1.950   5.743
  251   2HD1  ILE  35          HD12      ILE  35   6.820  -1.548   7.163
  252   3HD1  ILE  35          HD13      ILE  35   6.453  -0.330   5.960
  253    H    SER  36           HN       SER  36   5.297  -3.149   8.440
  254    HA   SER  36           HA       SER  36   3.349  -3.833  10.543
  255   1HB   SER  36          HB2       SER  36   5.854  -5.250   9.732
  256   2HB   SER  36          HB1       SER  36   5.459  -5.176  11.455
  257    HG   SER  36           HG       SER  36   3.477  -6.153  10.991
  258    H    ALA  37           HN       ALA  37   4.275  -1.307   9.970
  259    HA   ALA  37           HA       ALA  37   5.126  -0.405  12.470
  260   1HB   ALA  37          HB1       ALA  37   7.370   0.103  10.627
  261   2HB   ALA  37          HB2       ALA  37   7.255  -1.502  11.249
  262   3HB   ALA  37          HB3       ALA  37   7.374  -0.150  12.368
  263    H    SER  38           HN       SER  38   6.621   1.868  11.515
  264    HA   SER  38           HA       SER  38   4.668   3.134   9.760
  265   1HB   SER  38          HB2       SER  38   5.545   4.020  12.478
  266   2HB   SER  38          HB1       SER  38   5.100   5.231  11.272
  267    HG   SER  38           HG       SER  38   3.406   4.258  12.762
  268    H    THR  39           HN       THR  39   7.515   2.119   9.495
  269    HA   THR  39           HA       THR  39   8.585   4.581   8.325
  270    HB   THR  39           HB       THR  39  10.265   2.573   9.822
  271    HG1  THR  39           HG1      THR  39  10.086   3.814  11.524
  272   1HG2  THR  39          HG21      THR  39  11.578   3.697   8.163
  273   2HG2  THR  39          HG22      THR  39  11.979   4.357   9.750
  274   3HG2  THR  39          HG23      THR  39  10.942   5.264   8.655
  275    H    CYS  40           HN       CYS  40   7.947   1.272   8.027
  276    HA   CYS  40           HA       CYS  40   8.329  -0.253   6.434
  277   1HB   CYS  40          HB2       CYS  40   7.022   1.302   5.133
  278   2HB   CYS  40          HB1       CYS  40   8.489   2.183   4.723
  279    HA   PRO  41           HA       PRO  41  12.852  -0.413   6.624
  280   1HB   PRO  41          HB2       PRO  41  12.944  -2.996   5.685
  281   2HB   PRO  41          HB1       PRO  41  12.797  -2.539   7.382
  282   1HG   PRO  41          HG2       PRO  41  10.690  -3.359   5.449
  283   2HG   PRO  41          HG1       PRO  41  10.857  -3.753   7.168
  284   1HD   PRO  41          HD2       PRO  41   9.097  -1.945   6.321
  285   2HD   PRO  41          HD1       PRO  41   9.976  -1.758   7.852
  286    H    SER  42           HN       SER  42  14.191  -2.030   4.771
  287    HA   SER  42           HA       SER  42  14.084  -0.352   2.443
  288   1HB   SER  42          HB2       SER  42  16.185  -1.366   3.601
  289   2HB   SER  42          HB1       SER  42  15.806  -2.787   2.665
  290    HG   SER  42           HG       SER  42  16.366  -1.792   0.876
  291    H    ASP  43           HN       ASP  43  11.716  -1.725   2.693
  292    HA   ASP  43           HA       ASP  43  11.844  -3.753   0.640
  293   1HB   ASP  43          HB2       ASP  43   9.555  -4.381   1.430
  294   2HB   ASP  43          HB1       ASP  43  10.808  -4.564   2.655
  295    H    TYR  44           HN       TYR  44  12.142  -1.259  -0.231
  296    HA   TYR  44           HA       TYR  44  11.310   0.323  -1.545
  297   1HB   TYR  44          HB2       TYR  44   9.472  -0.645  -3.171
  298   2HB   TYR  44          HB1       TYR  44  11.169  -1.072  -3.308
  299    HD1  TYR  44           HD1      TYR  44  11.938  -3.250  -2.506
  300    HD2  TYR  44           HD2      TYR  44   7.818  -2.200  -2.501
  301    HE1  TYR  44           HE1      TYR  44  11.342  -5.622  -2.264
  302    HE2  TYR  44           HE2      TYR  44   7.204  -4.570  -2.257
  303    HH   TYR  44           HH       TYR  44   8.543  -6.894  -2.941
  304    HA   PRO  45           HA       PRO  45   7.620   1.373   0.877
  305   1HB   PRO  45          HB2       PRO  45   8.374   3.872   1.503
  306   2HB   PRO  45          HB1       PRO  45   9.029   2.463   2.352
  307   1HG   PRO  45          HG2       PRO  45  10.253   4.088   0.191
  308   2HG   PRO  45          HG1       PRO  45  10.998   3.463   1.639
  309   1HD   PRO  45          HD2       PRO  45  11.237   2.269  -0.738
  310   2HD   PRO  45          HD1       PRO  45  11.354   1.393   0.712
  311    H    LYS  46           HN       LYS  46   7.226   1.223  -1.691
  312    HA   LYS  46           HA       LYS  46   6.267   3.901  -2.435
  313   1HB   LYS  46          HB2       LYS  46   7.945   2.080  -3.874
  314   2HB   LYS  46          HB1       LYS  46   6.435   2.270  -4.751
  315   1HG   LYS  46          HG2       LYS  46   6.926   4.353  -5.382
  316   2HG   LYS  46          HG1       LYS  46   7.553   4.788  -3.796
  317   1HD   LYS  46          HD2       LYS  46   9.537   4.839  -4.864
  318   2HD   LYS  46          HD1       LYS  46   9.477   3.087  -4.663
  319   1HE   LYS  46          HE2       LYS  46   8.860   2.728  -6.862
  320   2HE   LYS  46          HE1       LYS  46   8.207   4.353  -7.046
  321   1HZ   LYS  46          HZ1       LYS  46  10.151   4.517  -8.210
  322   2HZ   LYS  46          HZ2       LYS  46  10.988   3.445  -7.207
  323   3HZ   LYS  46          HZ3       LYS  46  10.686   5.022  -6.689
  Start of MODEL    3
    1   1H    LYS   1          HT1       LYS   1   1.482   3.204   6.757
    2   2H    LYS   1          HT2       LYS   1   2.758   4.253   7.217
    3   3H    LYS   1          HT3       LYS   1   2.883   2.566   7.511
    4    HA   LYS   1           HA       LYS   1   2.628   3.751   4.831
    5   1HB   LYS   1          HB2       LYS   1   5.044   3.495   4.650
    6   2HB   LYS   1          HB1       LYS   1   4.648   4.571   5.982
    7   1HG   LYS   1          HG2       LYS   1   5.019   1.690   6.596
    8   2HG   LYS   1          HG1       LYS   1   6.451   2.650   6.212
    9   1HD   LYS   1          HD2       LYS   1   4.469   3.684   8.191
   10   2HD   LYS   1          HD1       LYS   1   5.630   2.452   8.685
   11   1HE   LYS   1          HE2       LYS   1   7.462   3.841   8.252
   12   2HE   LYS   1          HE1       LYS   1   6.496   4.957   7.285
   13   1HZ   LYS   1          HZ1       LYS   1   5.761   6.029   9.102
   14   2HZ   LYS   1          HZ2       LYS   1   7.163   5.412   9.815
   15   3HZ   LYS   1          HZ3       LYS   1   5.681   4.635  10.054
   16    H    SER   2           HN       SER   2   3.853   2.150   3.329
   17    HA   SER   2           HA       SER   2   3.701  -0.555   4.076
   18   1HB   SER   2          HB2       SER   2   2.041  -1.174   2.405
   19   2HB   SER   2          HB1       SER   2   1.335  -0.088   3.543
   20    HG   SER   2           HG       SER   2   0.793   0.479   1.438
   21    H    CYS   3           HN       CYS   3   4.750  -1.901   2.603
   22    HA   CYS   3           HA       CYS   3   6.687  -0.598   0.942
   23   1HB   CYS   3          HB2       CYS   3   6.280  -3.289   2.019
   24   2HB   CYS   3          HB1       CYS   3   7.056  -3.224   0.442
   25    H    CYS   4           HN       CYS   4   5.652   0.246  -0.717
   26    HA   CYS   4           HA       CYS   4   4.178  -1.506  -2.491
   27   1HB   CYS   4          HB2       CYS   4   4.118   1.404  -2.156
   28   2HB   CYS   4          HB1       CYS   4   3.487   0.641  -3.608
   29    HA   PRO   5           HA       PRO   5   7.340  -1.528  -5.548
   30   1HB   PRO   5          HB2       PRO   5   5.877  -1.165  -7.851
   31   2HB   PRO   5          HB1       PRO   5   6.040  -2.705  -7.002
   32   1HG   PRO   5          HG2       PRO   5   3.817  -0.704  -6.898
   33   2HG   PRO   5          HG1       PRO   5   3.728  -2.477  -6.945
   34   1HD   PRO   5          HD2       PRO   5   3.385  -1.109  -4.659
   35   2HD   PRO   5          HD1       PRO   5   4.217  -2.681  -4.689
   36    H    ASN   6           HN       ASN   6   4.902   0.834  -6.498
   37    HA   ASN   6           HA       ASN   6   6.916   2.906  -6.394
   38   1HB   ASN   6          HB2       ASN   6   6.726   3.604  -8.690
   39   2HB   ASN   6          HB1       ASN   6   7.170   1.905  -8.666
   40   1HD2  ASN   6          HD21      ASN   6   5.176   0.414  -8.646
   41   2HD2  ASN   6          HD22      ASN   6   3.950   0.806  -9.798
   42    H    THR   7           HN       THR   7   5.851   5.052  -7.283
   43    HA   THR   7           HA       THR   7   3.807   5.754  -5.578
   44    HB   THR   7           HB       THR   7   4.065   7.160  -8.203
   45    HG1  THR   7           HG1      THR   7   6.043   6.978  -6.199
   46   1HG2  THR   7          HG21      THR   7   2.849   8.594  -7.002
   47   2HG2  THR   7          HG22      THR   7   4.392   9.016  -6.264
   48   3HG2  THR   7          HG23      THR   7   3.319   7.861  -5.465
   49    H    THR   8           HN       THR   8   3.608   4.160  -8.618
   50    HA   THR   8           HA       THR   8   0.959   4.807  -9.327
   51    HB   THR   8           HB       THR   8   2.589   2.331  -9.939
   52    HG1  THR   8           HG1      THR   8   2.056   4.624 -11.523
   53   1HG2  THR   8          HG21      THR   8   1.116   1.847 -11.726
   54   2HG2  THR   8          HG22      THR   8   0.194   3.321 -11.453
   55   3HG2  THR   8          HG23      THR   8   0.143   2.014 -10.271
   56    H    GLY   9           HN       GLY   9   2.346   2.274  -7.309
   57   1HA   GLY   9          HA2       GLY   9   0.056   0.761  -6.868
   58   2HA   GLY   9          HA1       GLY   9   1.382   0.891  -5.749
   59    H    ARG  10           HN       ARG  10   1.235   3.662  -5.263
   60    HA   ARG  10           HA       ARG  10  -0.509   3.747  -3.140
   61   1HB   ARG  10          HB2       ARG  10   1.398   5.216  -3.334
   62   2HB   ARG  10          HB1       ARG  10   0.610   6.091  -4.645
   63   1HG   ARG  10          HG2       ARG  10   0.470   7.301  -2.550
   64   2HG   ARG  10          HG1       ARG  10  -1.067   6.797  -3.115
   65   1HD   ARG  10          HD2       ARG  10  -0.889   6.425  -0.735
   66   2HD   ARG  10          HD1       ARG  10  -0.977   4.874  -1.572
   67    HE   ARG  10           HE       ARG  10   1.600   5.285  -1.316
   68   1HH1  ARG  10          HH11      ARG  10  -0.968   5.362   0.871
   69   2HH1  ARG  10          HH12      ARG  10  -0.005   4.847   2.209
   70   1HH2  ARG  10          HH21      ARG  10   2.879   4.615   0.393
   71   2HH2  ARG  10          HH22      ARG  10   2.151   4.422   1.924
   72    H    ASN  11           HN       ASN  11  -0.848   4.407  -6.517
   73    HA   ASN  11           HA       ASN  11  -3.206   5.976  -6.408
   74   1HB   ASN  11          HB2       ASN  11  -1.505   5.307  -8.401
   75   2HB   ASN  11          HB1       ASN  11  -2.815   4.182  -8.737
   76   1HD2  ASN  11          HD21      ASN  11  -1.898   7.535  -8.512
   77   2HD2  ASN  11          HD22      ASN  11  -3.253   8.166  -9.365
   78    H    ILE  12           HN       ILE  12  -2.670   2.527  -7.062
   79    HA   ILE  12           HA       ILE  12  -5.366   1.760  -7.147
   80    HB   ILE  12           HB       ILE  12  -3.063   0.115  -6.160
   81   1HG1  ILE  12          HG12      ILE  12  -3.905  -0.119  -8.967
   82   2HG1  ILE  12          HG11      ILE  12  -3.148   1.341  -8.588
   83   1HG2  ILE  12          HG21      ILE  12  -5.373  -0.895  -7.707
   84   2HG2  ILE  12          HG22      ILE  12  -5.592  -0.537  -5.998
   85   3HG2  ILE  12          HG23      ILE  12  -4.361  -1.696  -6.509
   86   1HD1  ILE  12          HD11      ILE  12  -1.724  -0.881  -7.509
   87   2HD1  ILE  12          HD12      ILE  12  -1.127   0.459  -8.418
   88   3HD1  ILE  12          HD13      ILE  12  -1.840  -0.861  -9.269
   89    H    TYR  13           HN       TYR  13  -3.045   1.828  -4.475
   90    HA   TYR  13           HA       TYR  13  -4.640   0.769  -2.459
   91   1HB   TYR  13          HB2       TYR  13  -2.107   1.856  -2.622
   92   2HB   TYR  13          HB1       TYR  13  -2.950   3.018  -1.609
   93    HD1  TYR  13           HD1      TYR  13  -1.265  -0.055  -1.701
   94    HD2  TYR  13           HD2      TYR  13  -4.202   2.091   0.400
   95    HE1  TYR  13           HE1      TYR  13  -0.953  -1.509   0.162
   96    HE2  TYR  13           HE2      TYR  13  -3.896   0.627   2.310
   97    HH   TYR  13           HH       TYR  13  -1.561  -0.940   3.024
   98    H    ASN  14           HN       ASN  14  -4.377   4.039  -3.723
   99    HA   ASN  14           HA       ASN  14  -6.112   5.228  -1.820
  100   1HB   ASN  14          HB2       ASN  14  -4.562   6.084  -4.091
  101   2HB   ASN  14          HB1       ASN  14  -6.176   6.775  -4.178
  102   1HD2  ASN  14          HD21      ASN  14  -3.163   6.762  -2.538
  103   2HD2  ASN  14          HD22      ASN  14  -3.498   8.073  -1.466
  104    H    THR  15           HN       THR  15  -6.590   4.121  -5.170
  105    HA   THR  15           HA       THR  15  -9.268   4.850  -5.442
  106    HB   THR  15           HB       THR  15  -8.550   2.261  -6.642
  107    HG1  THR  15           HG1      THR  15  -6.877   2.970  -7.821
  108   1HG2  THR  15          HG21      THR  15  -8.925   3.907  -8.712
  109   2HG2  THR  15          HG22      THR  15  -9.832   4.777  -7.470
  110   3HG2  THR  15          HG23      THR  15 -10.241   3.103  -7.857
  111    H    CYS  16           HN       CYS  16  -7.778   2.138  -3.848
  112    HA   CYS  16           HA       CYS  16 -10.230   0.731  -3.372
  113   1HB   CYS  16          HB2       CYS  16  -8.671  -0.799  -3.240
  114   2HB   CYS  16          HB1       CYS  16  -7.377   0.319  -2.995
  115    H    ARG  17           HN       ARG  17  -7.881   2.306  -1.207
  116    HA   ARG  17           HA       ARG  17  -9.350   2.205   1.041
  117   1HB   ARG  17          HB2       ARG  17  -7.099   3.713   0.099
  118   2HB   ARG  17          HB1       ARG  17  -8.065   4.670   1.158
  119   1HG   ARG  17          HG2       ARG  17  -7.748   2.097   2.289
  120   2HG   ARG  17          HG1       ARG  17  -6.162   2.619   1.719
  121   1HD   ARG  17          HD2       ARG  17  -6.754   3.260   4.089
  122   2HD   ARG  17          HD1       ARG  17  -6.225   4.579   3.039
  123    HE   ARG  17           HE       ARG  17  -9.043   4.330   3.001
  124   1HH1  ARG  17          HH11      ARG  17  -6.405   5.485   4.966
  125   2HH1  ARG  17          HH12      ARG  17  -7.367   6.671   5.783
  126   1HH2  ARG  17          HH21      ARG  17 -10.314   5.892   4.074
  127   2HH2  ARG  17          HH22      ARG  17  -9.588   6.899   5.275
  128    H    PHE  18           HN       PHE  18  -9.304   4.830  -1.264
  129    HA   PHE  18           HA       PHE  18 -11.393   6.277   0.015
  130   1HB   PHE  18          HB2       PHE  18 -10.042   6.552  -2.650
  131   2HB   PHE  18          HB1       PHE  18 -11.366   7.602  -2.143
  132    HD1  PHE  18           HD1      PHE  18  -8.251   6.285  -0.561
  133    HD2  PHE  18           HD2      PHE  18 -10.667   9.668  -1.455
  134    HE1  PHE  18           HE1      PHE  18  -6.646   7.729   0.566
  135    HE2  PHE  18           HE2      PHE  18  -9.067  11.127  -0.293
  136    HZ   PHE  18           HZ       PHE  18  -7.055  10.158   0.701
  137    H    GLY  19           HN       GLY  19 -11.265   3.587  -2.019
  138   1HA   GLY  19          HA2       GLY  19 -13.823   4.038  -3.258
  139   2HA   GLY  19          HA1       GLY  19 -12.833   2.597  -3.415
  140    H    GLY  20           HN       GLY  20 -12.601   2.535  -0.401
  141   1HA   GLY  20          HA2       GLY  20 -14.254   2.205   1.304
  142   2HA   GLY  20          HA1       GLY  20 -15.309   1.500   0.144
  143    H    GLY  21           HN       GLY  21 -11.836   0.906   0.581
  144   1HA   GLY  21          HA2       GLY  21 -12.519  -1.837   0.941
  145   2HA   GLY  21          HA1       GLY  21 -11.006  -1.257   0.305
  146    H    SER  22           HN       SER  22  -9.720  -2.342   1.693
  147    HA   SER  22           HA       SER  22  -9.582  -1.180   4.371
  148   1HB   SER  22          HB2       SER  22 -10.719  -3.609   4.091
  149   2HB   SER  22          HB1       SER  22  -9.033  -4.095   4.216
  150    HG   SER  22           HG       SER  22  -9.037  -2.641   6.144
  151    H    ARG  23           HN       ARG  23  -7.462  -3.203   5.050
  152    HA   ARG  23           HA       ARG  23  -5.318  -1.908   3.584
  153   1HB   ARG  23          HB2       ARG  23  -5.280  -3.510   6.130
  154   2HB   ARG  23          HB1       ARG  23  -3.860  -2.805   5.385
  155   1HG   ARG  23          HG2       ARG  23  -6.185  -1.422   6.660
  156   2HG   ARG  23          HG1       ARG  23  -4.485  -1.346   7.115
  157   1HD   ARG  23          HD2       ARG  23  -4.800   0.571   6.020
  158   2HD   ARG  23          HD1       ARG  23  -4.149  -0.371   4.745
  159    HE   ARG  23           HE       ARG  23  -6.138  -0.181   3.628
  160   1HH1  ARG  23          HH11      ARG  23  -6.614   0.716   6.946
  161   2HH1  ARG  23          HH12      ARG  23  -8.239   1.272   6.677
  162   1HH2  ARG  23          HH21      ARG  23  -8.270   0.466   3.280
  163   2HH2  ARG  23          HH22      ARG  23  -9.175   1.125   4.596
  164    H    GLN  24           HN       GLN  24  -6.474  -5.116   4.473
  165    HA   GLN  24           HA       GLN  24  -4.434  -6.524   3.109
  166   1HB   GLN  24          HB2       GLN  24  -6.859  -7.177   4.563
  167   2HB   GLN  24          HB1       GLN  24  -6.672  -8.188   3.143
  168   1HG   GLN  24          HG2       GLN  24  -4.200  -8.382   4.100
  169   2HG   GLN  24          HG1       GLN  24  -5.055  -8.058   5.611
  170   1HE2  GLN  24          HE21      GLN  24  -3.859 -10.383   5.525
  171   2HE2  GLN  24          HE22      GLN  24  -4.966 -11.681   5.265
  172    H    VAL  25           HN       VAL  25  -7.724  -5.570   2.244
  173    HA   VAL  25           HA       VAL  25  -7.760  -6.721  -0.211
  174    HB   VAL  25           HB       VAL  25  -9.223  -4.211   0.505
  175   1HG1  VAL  25          HG11      VAL  25  -9.549  -6.243  -1.581
  176   2HG1  VAL  25          HG12      VAL  25  -9.572  -4.483  -1.684
  177   3HG1  VAL  25          HG13      VAL  25 -10.946  -5.353  -0.989
  178   1HG2  VAL  25          HG21      VAL  25 -11.094  -5.848   1.078
  179   2HG2  VAL  25          HG22      VAL  25  -9.746  -5.744   2.217
  180   3HG2  VAL  25          HG23      VAL  25  -9.845  -7.099   1.092
  181    H    CYS  26           HN       CYS  26  -6.788  -3.540   0.841
  182    HA   CYS  26           HA       CYS  26  -6.214  -2.435  -1.613
  183   1HB   CYS  26          HB2       CYS  26  -5.914  -1.678   1.076
  184   2HB   CYS  26          HB1       CYS  26  -4.448  -1.295   0.224
  185    H    ALA  27           HN       ALA  27  -4.324  -4.224   0.687
  186    HA   ALA  27           HA       ALA  27  -1.813  -4.015  -0.461
  187   1HB   ALA  27          HB1       ALA  27  -1.624  -6.414   0.657
  188   2HB   ALA  27          HB2       ALA  27  -3.044  -5.779   1.480
  189   3HB   ALA  27          HB3       ALA  27  -1.527  -4.887   1.526
  190    H    SER  28           HN       SER  28  -4.462  -6.280  -0.952
  191    HA   SER  28           HA       SER  28  -3.003  -7.889  -2.804
  192   1HB   SER  28          HB2       SER  28  -4.789  -8.905  -1.510
  193   2HB   SER  28          HB1       SER  28  -5.958  -7.768  -2.181
  194    HG   SER  28           HG       SER  28  -6.148  -9.021  -3.833
  195    H    LEU  29           HN       LEU  29  -4.503  -4.880  -2.993
  196    HA   LEU  29           HA       LEU  29  -5.211  -5.117  -5.785
  197   1HB   LEU  29          HB2       LEU  29  -5.939  -3.396  -3.607
  198   2HB   LEU  29          HB1       LEU  29  -5.391  -2.430  -4.960
  199    HG   LEU  29           HG       LEU  29  -7.788  -2.698  -5.064
  200   1HD1  LEU  29          HD11      LEU  29  -6.181  -2.942  -7.138
  201   2HD1  LEU  29          HD12      LEU  29  -7.926  -3.125  -7.294
  202   3HD1  LEU  29          HD13      LEU  29  -6.899  -4.550  -7.200
  203   1HD2  LEU  29          HD21      LEU  29  -8.153  -4.690  -3.829
  204   2HD2  LEU  29          HD22      LEU  29  -7.174  -5.635  -4.949
  205   3HD2  LEU  29          HD23      LEU  29  -8.733  -4.991  -5.466
  206    H    SER  30           HN       SER  30  -2.751  -3.677  -3.744
  207    HA   SER  30           HA       SER  30  -1.419  -2.602  -6.135
  208   1HB   SER  30          HB2       SER  30  -0.026  -1.340  -4.421
  209   2HB   SER  30          HB1       SER  30  -1.718  -0.867  -4.552
  210    HG   SER  30           HG       SER  30  -0.835  -2.781  -2.658
  211    H    GLY  31           HN       GLY  31  -1.272  -5.127  -3.850
  212   1HA   GLY  31          HA2       GLY  31   0.125  -6.891  -3.714
  213   2HA   GLY  31          HA1       GLY  31   1.011  -6.189  -5.053
  214    H    CYS  32           HN       CYS  32   0.438  -4.176  -2.320
  215    HA   CYS  32           HA       CYS  32   3.278  -4.071  -1.782
  216   1HB   CYS  32          HB2       CYS  32   1.112  -2.627  -0.260
  217   2HB   CYS  32          HB1       CYS  32   2.802  -2.178  -0.428
  218    H    LYS  33           HN       LYS  33   3.939  -3.934   0.483
  219    HA   LYS  33           HA       LYS  33   2.765  -6.213   1.928
  220   1HB   LYS  33          HB2       LYS  33   5.092  -6.518   1.122
  221   2HB   LYS  33          HB1       LYS  33   5.568  -5.161   2.112
  222   1HG   LYS  33          HG2       LYS  33   4.275  -6.758   3.921
  223   2HG   LYS  33          HG1       LYS  33   5.065  -7.929   2.860
  224   1HD   LYS  33          HD2       LYS  33   6.560  -7.384   4.668
  225   2HD   LYS  33          HD1       LYS  33   7.200  -6.702   3.175
  226   1HE   LYS  33          HE2       LYS  33   7.430  -4.854   4.459
  227   2HE   LYS  33          HE1       LYS  33   5.741  -4.621   4.017
  228   1HZ   LYS  33          HZ1       LYS  33   6.438  -6.167   6.429
  229   2HZ   LYS  33          HZ2       LYS  33   5.015  -5.329   6.080
  230   3HZ   LYS  33          HZ3       LYS  33   6.422  -4.480   6.479
  231    H    ILE  34           HN       ILE  34   1.608  -5.646   3.638
  232    HA   ILE  34           HA       ILE  34   1.729  -3.049   4.792
  233    HB   ILE  34           HB       ILE  34   0.416  -5.481   5.989
  234   1HG1  ILE  34          HG12      ILE  34  -0.265  -5.267   3.694
  235   2HG1  ILE  34          HG11      ILE  34  -1.543  -4.729   4.785
  236   1HG2  ILE  34          HG21      ILE  34   0.314  -2.551   6.466
  237   2HG2  ILE  34          HG22      ILE  34   0.283  -3.888   7.615
  238   3HG2  ILE  34          HG23      ILE  34  -1.110  -3.504   6.665
  239   1HD1  ILE  34          HD11      ILE  34   0.284  -2.834   3.442
  240   2HD1  ILE  34          HD12      ILE  34  -1.152  -2.462   4.265
  241   3HD1  ILE  34          HD13      ILE  34  -1.180  -3.326   2.733
  242    H    ILE  35           HN       ILE  35   3.210  -2.331   6.170
  243    HA   ILE  35           HA       ILE  35   4.762  -4.244   7.744
  244    HB   ILE  35           HB       ILE  35   5.978  -2.538   6.438
  245   1HG1  ILE  35          HG12      ILE  35   6.928  -1.491   8.862
  246   2HG1  ILE  35          HG11      ILE  35   6.271  -3.068   9.269
  247   1HG2  ILE  35          HG21      ILE  35   5.590  -0.383   6.537
  248   2HG2  ILE  35          HG22      ILE  35   5.319  -0.401   8.278
  249   3HG2  ILE  35          HG23      ILE  35   4.025  -0.844   7.178
  250   1HD1  ILE  35          HD11      ILE  35   7.872  -3.153   6.875
  251   2HD1  ILE  35          HD12      ILE  35   7.983  -4.116   8.343
  252   3HD1  ILE  35          HD13      ILE  35   8.777  -2.541   8.257
  253    H    SER  36           HN       SER  36   4.846  -4.238   9.959
  254    HA   SER  36           HA       SER  36   2.672  -2.809  11.302
  255   1HB   SER  36          HB2       SER  36   4.361  -4.826  12.721
  256   2HB   SER  36          HB1       SER  36   2.628  -4.501  12.866
  257    HG   SER  36           HG       SER  36   2.412  -5.457  10.752
  258    H    ALA  37           HN       ALA  37   5.049  -1.390  10.517
  259    HA   ALA  37           HA       ALA  37   5.637  -0.185  13.012
  260   1HB   ALA  37          HB1       ALA  37   7.980  -1.381  11.579
  261   2HB   ALA  37          HB2       ALA  37   7.202  -2.089  12.978
  262   3HB   ALA  37          HB3       ALA  37   7.978  -0.568  13.128
  263    H    SER  38           HN       SER  38   7.734   1.348  12.443
  264    HA   SER  38           HA       SER  38   6.739   2.951  10.251
  265   1HB   SER  38          HB2       SER  38   8.688   3.489  12.482
  266   2HB   SER  38          HB1       SER  38   8.432   4.627  11.158
  267    HG   SER  38           HG       SER  38   6.515   3.692  13.020
  268    H    THR  39           HN       THR  39   8.526   0.429  10.058
  269    HA   THR  39           HA       THR  39  10.499   1.629   8.238
  270    HB   THR  39           HB       THR  39  11.038  -0.953   9.542
  271    HG1  THR  39           HG1      THR  39  10.515   0.313  11.288
  272   1HG2  THR  39          HG21      THR  39  12.996  -0.696   8.562
  273   2HG2  THR  39          HG22      THR  39  13.277   0.686   9.588
  274   3HG2  THR  39          HG23      THR  39  12.526   0.883   8.000
  275    H    CYS  40           HN       CYS  40  11.420  -0.347   6.822
  276    HA   CYS  40           HA       CYS  40   9.412  -2.183   6.071
  277   1HB   CYS  40          HB2       CYS  40   9.232   0.225   4.859
  278   2HB   CYS  40          HB1       CYS  40  10.145  -0.682   3.690
  279    HA   PRO  41           HA       PRO  41  13.151  -4.288   4.971
  280   1HB   PRO  41          HB2       PRO  41  12.102  -6.406   3.659
  281   2HB   PRO  41          HB1       PRO  41  11.976  -6.222   5.415
  282   1HG   PRO  41          HG2       PRO  41   9.952  -5.616   3.295
  283   2HG   PRO  41          HG1       PRO  41   9.725  -6.421   4.853
  284   1HD   PRO  41          HD2       PRO  41   9.117  -3.805   4.437
  285   2HD   PRO  41          HD1       PRO  41   9.647  -4.430   6.010
  286    H    SER  42           HN       SER  42  13.668  -5.756   2.737
  287    HA   SER  42           HA       SER  42  14.074  -3.746   0.761
  288   1HB   SER  42          HB2       SER  42  14.876  -6.258  -0.179
  289   2HB   SER  42          HB1       SER  42  15.897  -5.030   0.540
  290    HG   SER  42           HG       SER  42  15.707  -6.032   2.467
  291    H    ASP  43           HN       ASP  43  11.338  -4.240   1.066
  292    HA   ASP  43           HA       ASP  43  10.646  -5.693  -1.292
  293   1HB   ASP  43          HB2       ASP  43   9.022  -5.134   1.109
  294   2HB   ASP  43          HB1       ASP  43   8.327  -5.781  -0.337
  295    H    TYR  44           HN       TYR  44  11.635  -3.232  -1.690
  296    HA   TYR  44           HA       TYR  44  11.239  -1.137  -2.514
  297   1HB   TYR  44          HB2       TYR  44   8.844  -1.188  -3.814
  298   2HB   TYR  44          HB1       TYR  44  10.352  -1.798  -4.481
  299    HD1  TYR  44           HD1      TYR  44  10.839  -4.273  -4.324
  300    HD2  TYR  44           HD2      TYR  44   7.022  -2.628  -3.411
  301    HE1  TYR  44           HE1      TYR  44   9.820  -6.496  -4.584
  302    HE2  TYR  44           HE2      TYR  44   5.992  -4.847  -3.670
  303    HH   TYR  44           HH       TYR  44   6.976  -7.166  -5.196
  304    HA   PRO  45           HA       PRO  45   8.464   0.231   0.737
  305   1HB   PRO  45          HB2       PRO  45  10.091   2.116   1.706
  306   2HB   PRO  45          HB1       PRO  45  10.341   0.413   2.085
  307   1HG   PRO  45          HG2       PRO  45  11.749   2.138   0.112
  308   2HG   PRO  45          HG1       PRO  45  12.424   0.938   1.199
  309   1HD   PRO  45          HD2       PRO  45  11.902   0.470  -1.380
  310   2HD   PRO  45          HD1       PRO  45  11.965  -0.745  -0.182
  311    H    LYS  46           HN       LYS  46   7.786   0.896  -1.711
  312    HA   LYS  46           HA       LYS  46   7.902   3.812  -1.878
  313   1HB   LYS  46          HB2       LYS  46   8.143   1.841  -3.818
  314   2HB   LYS  46          HB1       LYS  46   6.523   2.461  -4.051
  315   1HG   LYS  46          HG2       LYS  46   7.283   4.310  -5.016
  316   2HG   LYS  46          HG1       LYS  46   8.387   4.622  -3.680
  317   1HD   LYS  46          HD2       LYS  46   8.900   2.753  -5.994
  318   2HD   LYS  46          HD1       LYS  46   9.579   4.369  -5.810
  319   1HE   LYS  46          HE2       LYS  46  11.104   3.700  -4.288
  320   2HE   LYS  46          HE1       LYS  46   9.989   2.568  -3.524
  321   1HZ   LYS  46          HZ1       LYS  46  10.608   0.888  -4.881
  322   2HZ   LYS  46          HZ2       LYS  46  12.052   1.765  -4.927
  323   3HZ   LYS  46          HZ3       LYS  46  10.945   1.892  -6.198
  Start of MODEL    4
    1   1H    LYS   1          HT1       LYS   1  -0.438   2.728   6.259
    2   2H    LYS   1          HT2       LYS   1   0.517   3.925   6.949
    3   3H    LYS   1          HT3       LYS   1   0.825   2.261   7.209
    4    HA   LYS   1           HA       LYS   1   0.783   3.457   4.537
    5   1HB   LYS   1          HB2       LYS   1   3.192   3.737   4.727
    6   2HB   LYS   1          HB1       LYS   1   2.386   4.668   5.974
    7   1HG   LYS   1          HG2       LYS   1   3.144   1.961   6.783
    8   2HG   LYS   1          HG1       LYS   1   4.492   3.018   6.386
    9   1HD   LYS   1          HD2       LYS   1   4.063   4.446   8.122
   10   2HD   LYS   1          HD1       LYS   1   2.331   4.102   8.123
   11   1HE   LYS   1          HE2       LYS   1   4.121   1.864   8.839
   12   2HE   LYS   1          HE1       LYS   1   4.029   3.195   9.994
   13   1HZ   LYS   1          HZ1       LYS   1   1.697   1.695   8.919
   14   2HZ   LYS   1          HZ2       LYS   1   1.644   2.930  10.074
   15   3HZ   LYS   1          HZ3       LYS   1   2.392   1.461  10.444
   16    H    SER   2           HN       SER   2   2.537   2.178   3.260
   17    HA   SER   2           HA       SER   2   2.849  -0.497   4.033
   18   1HB   SER   2          HB2       SER   2   0.622   0.218   2.389
   19   2HB   SER   2          HB1       SER   2   1.721  -0.725   1.458
   20    HG   SER   2           HG       SER   2   0.187  -1.324   3.696
   21    H    CYS   3           HN       CYS   3   4.095  -1.724   2.394
   22    HA   CYS   3           HA       CYS   3   5.970   0.000   1.024
   23   1HB   CYS   3          HB2       CYS   3   6.297  -2.303   2.632
   24   2HB   CYS   3          HB1       CYS   3   7.058  -2.509   1.056
   25    H    CYS   4           HN       CYS   4   5.325   0.283  -0.934
   26    HA   CYS   4           HA       CYS   4   4.628  -2.032  -2.506
   27   1HB   CYS   4          HB2       CYS   4   3.076   0.110  -2.120
   28   2HB   CYS   4          HB1       CYS   4   3.878   0.496  -3.638
   29    HA   PRO   5           HA       PRO   5   8.313  -1.676  -4.916
   30   1HB   PRO   5          HB2       PRO   5   7.032  -1.967  -7.434
   31   2HB   PRO   5          HB1       PRO   5   7.792  -3.236  -6.467
   32   1HG   PRO   5          HG2       PRO   5   4.932  -2.469  -6.679
   33   2HG   PRO   5          HG1       PRO   5   5.656  -4.061  -6.383
   34   1HD   PRO   5          HD2       PRO   5   4.477  -2.703  -4.412
   35   2HD   PRO   5          HD1       PRO   5   5.947  -3.646  -4.109
   36    H    ASN   6           HN       ASN   6   5.526  -0.126  -6.540
   37    HA   ASN   6           HA       ASN   6   7.211   2.204  -6.845
   38   1HB   ASN   6          HB2       ASN   6   5.832   2.481  -9.074
   39   2HB   ASN   6          HB1       ASN   6   7.280   1.486  -9.036
   40   1HD2  ASN   6          HD21      ASN   6   3.831   1.107  -8.255
   41   2HD2  ASN   6          HD22      ASN   6   3.636  -0.304  -9.100
   42    H    THR   7           HN       THR   7   6.055   4.208  -7.094
   43    HA   THR   7           HA       THR   7   4.044   4.614  -5.239
   44    HB   THR   7           HB       THR   7   4.457   6.350  -7.667
   45    HG1  THR   7           HG1      THR   7   5.962   6.332  -5.270
   46   1HG2  THR   7          HG21      THR   7   2.824   7.440  -6.538
   47   2HG2  THR   7          HG22      THR   7   4.228   8.080  -5.685
   48   3HG2  THR   7          HG23      THR   7   3.288   6.764  -4.982
   49    H    THR   8           HN       THR   8   3.806   3.454  -8.461
   50    HA   THR   8           HA       THR   8   1.244   4.193  -9.208
   51    HB   THR   8           HB       THR   8   2.229   1.409  -9.725
   52    HG1  THR   8           HG1      THR   8   3.341   3.810 -10.708
   53   1HG2  THR   8          HG21      THR   8   1.416   1.825 -11.977
   54   2HG2  THR   8          HG22      THR   8   0.944   3.462 -11.511
   55   3HG2  THR   8          HG23      THR   8   0.143   2.070 -10.785
   56    H    GLY   9           HN       GLY   9   2.315   1.616  -7.075
   57   1HA   GLY   9          HA2       GLY   9  -0.091   0.317  -6.719
   58   2HA   GLY   9          HA1       GLY   9   1.161   0.343  -5.550
   59    H    ARG  10           HN       ARG  10   1.246   3.173  -5.210
   60    HA   ARG  10           HA       ARG  10  -0.523   3.470  -3.120
   61   1HB   ARG  10          HB2       ARG  10   1.516   4.756  -3.317
   62   2HB   ARG  10          HB1       ARG  10   0.823   5.652  -4.660
   63   1HG   ARG  10          HG2       ARG  10   0.642   7.018  -2.731
   64   2HG   ARG  10          HG1       ARG  10  -0.895   6.424  -3.103
   65   1HD   ARG  10          HD2       ARG  10  -0.629   6.207  -0.759
   66   2HD   ARG  10          HD1       ARG  10  -0.473   4.583  -1.425
   67    HE   ARG  10           HE       ARG  10   2.004   5.572  -1.284
   68   1HH1  ARG  10          HH11      ARG  10  -0.506   4.996   0.894
   69   2HH1  ARG  10          HH12      ARG  10   0.480   4.692   2.227
   70   1HH2  ARG  10          HH21      ARG  10   3.399   5.176   0.392
   71   2HH2  ARG  10          HH22      ARG  10   2.734   4.796   1.938
   72    H    ASN  11           HN       ASN  11  -0.732   4.019  -6.519
   73    HA   ASN  11           HA       ASN  11  -2.945   5.796  -6.517
   74   1HB   ASN  11          HB2       ASN  11  -1.255   4.942  -8.444
   75   2HB   ASN  11          HB1       ASN  11  -2.642   3.907  -8.785
   76   1HD2  ASN  11          HD21      ASN  11  -1.663   7.260  -8.347
   77   2HD2  ASN  11          HD22      ASN  11  -2.876   7.938  -9.374
   78    H    ILE  12           HN       ILE  12  -2.684   2.304  -7.082
   79    HA   ILE  12           HA       ILE  12  -5.453   1.782  -7.176
   80    HB   ILE  12           HB       ILE  12  -3.293  -0.020  -6.210
   81   1HG1  ILE  12          HG12      ILE  12  -3.960  -0.527  -8.917
   82   2HG1  ILE  12          HG11      ILE  12  -3.659   1.121  -8.793
   83   1HG2  ILE  12          HG21      ILE  12  -6.141  -0.289  -6.828
   84   2HG2  ILE  12          HG22      ILE  12  -5.079  -1.319  -5.866
   85   3HG2  ILE  12          HG23      ILE  12  -5.115  -1.492  -7.620
   86   1HD1  ILE  12          HD11      ILE  12  -1.690  -0.506  -7.444
   87   2HD1  ILE  12          HD12      ILE  12  -1.466   0.831  -8.466
   88   3HD1  ILE  12          HD13      ILE  12  -1.752  -0.657  -9.201
   89    H    TYR  13           HN       TYR  13  -3.087   1.733  -4.549
   90    HA   TYR  13           HA       TYR  13  -4.696   0.776  -2.483
   91   1HB   TYR  13          HB2       TYR  13  -2.113   1.724  -2.707
   92   2HB   TYR  13          HB1       TYR  13  -2.874   2.942  -1.695
   93    HD1  TYR  13           HD1      TYR  13  -4.212   2.051   0.291
   94    HD2  TYR  13           HD2      TYR  13  -1.280  -0.141  -1.733
   95    HE1  TYR  13           HE1      TYR  13  -3.939   0.596   2.235
   96    HE2  TYR  13           HE2      TYR  13  -1.001  -1.597   0.143
   97    HH   TYR  13           HH       TYR  13  -2.330  -0.831   3.204
   98    H    ASN  14           HN       ASN  14  -4.293   3.996  -3.817
   99    HA   ASN  14           HA       ASN  14  -5.903   5.327  -1.898
  100   1HB   ASN  14          HB2       ASN  14  -4.387   6.036  -4.234
  101   2HB   ASN  14          HB1       ASN  14  -5.977   6.792  -4.316
  102   1HD2  ASN  14          HD21      ASN  14  -2.888   6.928  -2.981
  103   2HD2  ASN  14          HD22      ASN  14  -3.160   8.210  -1.852
  104    H    THR  15           HN       THR  15  -6.559   4.242  -5.233
  105    HA   THR  15           HA       THR  15  -9.216   5.041  -5.384
  106    HB   THR  15           HB       THR  15  -8.634   2.457  -6.635
  107    HG1  THR  15           HG1      THR  15  -6.962   3.097  -7.841
  108   1HG2  THR  15          HG21      THR  15  -9.000   4.173  -8.666
  109   2HG2  THR  15          HG22      THR  15  -9.865   5.009  -7.372
  110   3HG2  THR  15          HG23      THR  15 -10.307   3.358  -7.811
  111    H    CYS  16           HN       CYS  16  -7.750   2.274  -3.871
  112    HA   CYS  16           HA       CYS  16 -10.191   0.897  -3.333
  113   1HB   CYS  16          HB2       CYS  16  -8.562  -0.591  -3.262
  114   2HB   CYS  16          HB1       CYS  16  -7.314   0.519  -2.879
  115    H    ARG  17           HN       ARG  17  -7.835   2.550  -1.246
  116    HA   ARG  17           HA       ARG  17  -9.233   2.470   1.039
  117   1HB   ARG  17          HB2       ARG  17  -7.070   4.029   0.000
  118   2HB   ARG  17          HB1       ARG  17  -8.027   4.974   1.063
  119   1HG   ARG  17          HG2       ARG  17  -7.439   2.323   2.073
  120   2HG   ARG  17          HG1       ARG  17  -5.975   3.226   1.678
  121   1HD   ARG  17          HD2       ARG  17  -8.052   4.732   3.126
  122   2HD   ARG  17          HD1       ARG  17  -7.292   3.423   4.030
  123    HE   ARG  17           HE       ARG  17  -5.269   4.918   2.817
  124   1HH1  ARG  17          HH11      ARG  17  -7.699   5.286   5.295
  125   2HH1  ARG  17          HH12      ARG  17  -6.783   6.452   6.195
  126   1HH2  ARG  17          HH21      ARG  17  -4.066   6.452   3.994
  127   2HH2  ARG  17          HH22      ARG  17  -4.722   7.111   5.455
  128    H    PHE  18           HN       PHE  18  -9.363   5.035  -1.322
  129    HA   PHE  18           HA       PHE  18 -11.492   6.385   0.000
  130   1HB   PHE  18          HB2       PHE  18 -10.183   6.814  -2.658
  131   2HB   PHE  18          HB1       PHE  18 -11.488   7.827  -2.044
  132    HD1  PHE  18           HD1      PHE  18  -8.128   6.561  -1.058
  133    HD2  PHE  18           HD2      PHE  18 -10.965   9.727  -0.860
  134    HE1  PHE  18           HE1      PHE  18  -6.485   7.956   0.105
  135    HE2  PHE  18           HE2      PHE  18  -9.326  11.128   0.297
  136    HZ   PHE  18           HZ       PHE  18  -7.087  10.243   0.754
  137    H    GLY  19           HN       GLY  19 -11.298   3.703  -1.967
  138   1HA   GLY  19          HA2       GLY  19 -13.907   4.148  -3.185
  139   2HA   GLY  19          HA1       GLY  19 -12.800   2.844  -3.575
  140    H    GLY  20           HN       GLY  20 -12.463   2.464  -0.547
  141   1HA   GLY  20          HA2       GLY  20 -14.091   1.742   1.088
  142   2HA   GLY  20          HA1       GLY  20 -15.015   1.021  -0.140
  143    H    GLY  21           HN       GLY  21 -11.562   0.941   0.687
  144   1HA   GLY  21          HA2       GLY  21 -11.785  -1.876   1.016
  145   2HA   GLY  21          HA1       GLY  21 -10.585  -1.232  -0.017
  146    H    SER  22           HN       SER  22 -10.833  -2.526   2.793
  147    HA   SER  22           HA       SER  22  -9.475  -0.819   4.546
  148   1HB   SER  22          HB2       SER  22 -10.727  -3.188   4.841
  149   2HB   SER  22          HB1       SER  22  -9.052  -3.747   4.816
  150    HG   SER  22           HG       SER  22  -8.736  -1.992   6.446
  151    H    ARG  23           HN       ARG  23  -7.369  -2.825   5.273
  152    HA   ARG  23           HA       ARG  23  -5.367  -1.814   3.456
  153   1HB   ARG  23          HB2       ARG  23  -5.118  -3.298   6.063
  154   2HB   ARG  23          HB1       ARG  23  -3.751  -2.721   5.123
  155   1HG   ARG  23          HG2       ARG  23  -5.794  -1.160   6.634
  156   2HG   ARG  23          HG1       ARG  23  -4.035  -1.103   6.752
  157   1HD   ARG  23          HD2       ARG  23  -4.506   0.748   5.597
  158   2HD   ARG  23          HD1       ARG  23  -4.157  -0.296   4.292
  159    HE   ARG  23           HE       ARG  23  -6.374  -0.201   3.638
  160   1HH1  ARG  23          HH11      ARG  23  -5.983   1.308   6.729
  161   2HH1  ARG  23          HH12      ARG  23  -7.557   2.027   6.698
  162   1HH2  ARG  23          HH21      ARG  23  -8.445   0.665   3.600
  163   2HH2  ARG  23          HH22      ARG  23  -8.955   1.662   4.928
  164    H    GLN  24           HN       GLN  24  -6.654  -4.905   4.550
  165    HA   GLN  24           HA       GLN  24  -4.821  -6.514   3.119
  166   1HB   GLN  24          HB2       GLN  24  -7.255  -6.907   4.659
  167   2HB   GLN  24          HB1       GLN  24  -7.218  -7.953   3.242
  168   1HG   GLN  24          HG2       GLN  24  -4.744  -8.382   4.128
  169   2HG   GLN  24          HG1       GLN  24  -5.507  -7.947   5.656
  170   1HE2  GLN  24          HE21      GLN  24  -4.982 -10.156   6.242
  171   2HE2  GLN  24          HE22      GLN  24  -6.063 -11.428   5.790
  172    H    VAL  25           HN       VAL  25  -8.078  -5.361   2.359
  173    HA   VAL  25           HA       VAL  25  -8.273  -6.498  -0.094
  174    HB   VAL  25           HB       VAL  25  -9.531  -3.906   0.719
  175   1HG1  VAL  25          HG11      VAL  25 -10.001  -5.772  -1.482
  176   2HG1  VAL  25          HG12      VAL  25  -9.973  -4.007  -1.456
  177   3HG1  VAL  25          HG13      VAL  25 -11.366  -4.883  -0.796
  178   1HG2  VAL  25          HG21      VAL  25 -11.512  -5.559   1.137
  179   2HG2  VAL  25          HG22      VAL  25 -10.254  -5.358   2.357
  180   3HG2  VAL  25          HG23      VAL  25 -10.226  -6.759   1.289
  181    H    CYS  26           HN       CYS  26  -7.031  -3.396   0.923
  182    HA   CYS  26           HA       CYS  26  -6.479  -2.299  -1.533
  183   1HB   CYS  26          HB2       CYS  26  -5.948  -1.649   1.159
  184   2HB   CYS  26          HB1       CYS  26  -4.555  -1.304   0.178
  185    H    ALA  27           HN       ALA  27  -4.629  -4.267   0.647
  186    HA   ALA  27           HA       ALA  27  -2.172  -4.229  -0.618
  187   1HB   ALA  27          HB1       ALA  27  -2.558  -6.786   0.511
  188   2HB   ALA  27          HB2       ALA  27  -3.261  -5.541   1.547
  189   3HB   ALA  27          HB3       ALA  27  -1.568  -5.440   1.063
  190    H    SER  28           HN       SER  28  -4.983  -6.331  -0.992
  191    HA   SER  28           HA       SER  28  -3.703  -7.896  -3.029
  192   1HB   SER  28          HB2       SER  28  -5.403  -8.869  -1.483
  193   2HB   SER  28          HB1       SER  28  -6.625  -7.851  -2.244
  194    HG   SER  28           HG       SER  28  -6.491  -9.025  -4.060
  195    H    LEU  29           HN       LEU  29  -5.066  -4.872  -2.954
  196    HA   LEU  29           HA       LEU  29  -6.107  -4.998  -5.663
  197   1HB   LEU  29          HB2       LEU  29  -6.661  -3.407  -3.325
  198   2HB   LEU  29          HB1       LEU  29  -6.266  -2.365  -4.682
  199    HG   LEU  29           HG       LEU  29  -8.691  -2.775  -4.448
  200   1HD1  LEU  29          HD11      LEU  29  -7.482  -2.355  -6.656
  201   2HD1  LEU  29          HD12      LEU  29  -9.117  -3.013  -6.738
  202   3HD1  LEU  29          HD13      LEU  29  -7.724  -4.071  -6.975
  203   1HD2  LEU  29          HD21      LEU  29  -8.113  -5.272  -3.755
  204   2HD2  LEU  29          HD22      LEU  29  -8.378  -5.544  -5.476
  205   3HD2  LEU  29          HD23      LEU  29  -9.656  -4.841  -4.495
  206    H    SER  30           HN       SER  30  -3.494  -3.692  -3.760
  207    HA   SER  30           HA       SER  30  -2.362  -2.465  -6.189
  208   1HB   SER  30          HB2       SER  30  -0.902  -1.204  -4.523
  209   2HB   SER  30          HB1       SER  30  -2.612  -0.785  -4.522
  210    HG   SER  30           HG       SER  30  -1.564  -2.739  -2.772
  211    H    GLY  31           HN       GLY  31  -2.012  -5.045  -3.995
  212   1HA   GLY  31          HA2       GLY  31  -0.517  -6.777  -3.997
  213   2HA   GLY  31          HA1       GLY  31   0.201  -6.023  -5.374
  214    H    CYS  32           HN       CYS  32  -0.144  -4.042  -2.585
  215    HA   CYS  32           HA       CYS  32   2.683  -3.944  -2.230
  216   1HB   CYS  32          HB2       CYS  32   0.675  -2.529  -0.502
  217   2HB   CYS  32          HB1       CYS  32   2.324  -2.056  -0.882
  218    H    LYS  33           HN       LYS  33   3.532  -3.891   0.000
  219    HA   LYS  33           HA       LYS  33   2.510  -6.258   1.386
  220   1HB   LYS  33          HB2       LYS  33   5.084  -5.562   0.573
  221   2HB   LYS  33          HB1       LYS  33   5.083  -5.255   2.302
  222   1HG   LYS  33          HG2       LYS  33   5.728  -7.443   2.265
  223   2HG   LYS  33          HG1       LYS  33   3.983  -7.633   2.410
  224   1HD   LYS  33          HD2       LYS  33   4.795  -9.146   0.716
  225   2HD   LYS  33          HD1       LYS  33   3.838  -7.875  -0.018
  226   1HE   LYS  33          HE2       LYS  33   5.673  -6.894  -0.935
  227   2HE   LYS  33          HE1       LYS  33   6.776  -7.489   0.214
  228   1HZ   LYS  33          HZ1       LYS  33   6.920  -9.547  -0.710
  229   2HZ   LYS  33          HZ2       LYS  33   6.828  -8.522  -2.053
  230   3HZ   LYS  33          HZ3       LYS  33   5.458  -9.380  -1.541
  231    H    ILE  34           HN       ILE  34   1.405  -5.941   3.196
  232    HA   ILE  34           HA       ILE  34   0.932  -3.457   4.356
  233    HB   ILE  34           HB       ILE  34   0.738  -6.125   5.758
  234   1HG1  ILE  34          HG12      ILE  34  -0.403  -6.253   3.672
  235   2HG1  ILE  34          HG11      ILE  34  -1.553  -6.089   4.987
  236   1HG2  ILE  34          HG21      ILE  34  -0.181  -3.387   6.343
  237   2HG2  ILE  34          HG22      ILE  34   0.383  -4.615   7.437
  238   3HG2  ILE  34          HG23      ILE  34  -1.172  -4.773   6.802
  239   1HD1  ILE  34          HD11      ILE  34  -0.618  -3.817   3.261
  240   2HD1  ILE  34          HD12      ILE  34  -1.901  -3.782   4.465
  241   3HD1  ILE  34          HD13      ILE  34  -2.100  -4.736   2.990
  242    H    ILE  35           HN       ILE  35   1.868  -2.288   5.943
  243    HA   ILE  35           HA       ILE  35   4.563  -2.947   6.682
  244    HB   ILE  35           HB       ILE  35   3.686  -0.632   6.192
  245   1HG1  ILE  35          HG12      ILE  35   5.102   0.328   8.034
  246   2HG1  ILE  35          HG11      ILE  35   5.274  -1.228   8.680
  247   1HG2  ILE  35          HG21      ILE  35   2.236   0.361   7.531
  248   2HG2  ILE  35          HG22      ILE  35   2.974  -0.248   8.996
  249   3HG2  ILE  35          HG23      ILE  35   1.822  -1.175   8.098
  250   1HD1  ILE  35          HD11      ILE  35   6.770  -0.009   6.640
  251   2HD1  ILE  35          HD12      ILE  35   5.909  -1.326   5.930
  252   3HD1  ILE  35          HD13      ILE  35   6.968  -1.576   7.315
  253    H    SER  36           HN       SER  36   5.381  -3.196   8.797
  254    HA   SER  36           HA       SER  36   3.389  -3.981  10.822
  255   1HB   SER  36          HB2       SER  36   5.980  -5.397  10.139
  256   2HB   SER  36          HB1       SER  36   4.987  -5.768  11.546
  257    HG   SER  36           HG       SER  36   3.241  -6.110   9.956
  258    H    ALA  37           HN       ALA  37   4.718  -1.456  10.501
  259    HA   ALA  37           HA       ALA  37   5.490  -0.949  13.129
  260   1HB   ALA  37          HB1       ALA  37   7.952  -0.633  11.542
  261   2HB   ALA  37          HB2       ALA  37   7.522  -2.257  11.955
  262   3HB   ALA  37          HB3       ALA  37   7.743  -1.083  13.237
  263    H    SER  38           HN       SER  38   7.101   1.154  12.955
  264    HA   SER  38           HA       SER  38   5.445   2.992  11.473
  265   1HB   SER  38          HB2       SER  38   7.492   3.335  13.641
  266   2HB   SER  38          HB1       SER  38   6.894   4.718  12.732
  267    HG   SER  38           HG       SER  38   5.753   3.501  14.789
  268    H    THR  39           HN       THR  39   7.819   1.210  10.461
  269    HA   THR  39           HA       THR  39   8.819   3.238   8.631
  270    HB   THR  39           HB       THR  39  10.728   1.322   9.929
  271    HG1  THR  39           HG1      THR  39  10.535   2.477  11.661
  272   1HG2  THR  39          HG21      THR  39  11.800   2.192   8.084
  273   2HG2  THR  39          HG22      THR  39  12.300   3.296   9.369
  274   3HG2  THR  39          HG23      THR  39  11.019   3.763   8.245
  275    H    CYS  40           HN       CYS  40  10.160   2.139   6.860
  276    HA   CYS  40           HA       CYS  40   9.059  -0.464   6.271
  277   1HB   CYS  40          HB2       CYS  40   8.618   1.901   4.850
  278   2HB   CYS  40          HB1       CYS  40   9.678   0.914   3.848
  279    HA   PRO  41           HA       PRO  41  13.420  -1.460   6.097
  280   1HB   PRO  41          HB2       PRO  41  13.057  -3.973   5.069
  281   2HB   PRO  41          HB1       PRO  41  12.929  -3.575   6.780
  282   1HG   PRO  41          HG2       PRO  41  10.768  -3.921   4.745
  283   2HG   PRO  41          HG1       PRO  41  10.817  -4.463   6.434
  284   1HD   PRO  41          HD2       PRO  41   9.439  -2.277   5.672
  285   2HD   PRO  41          HD1       PRO  41  10.259  -2.367   7.240
  286    H    SER  42           HN       SER  42  14.486  -3.117   4.169
  287    HA   SER  42           HA       SER  42  14.591  -1.386   1.906
  288   1HB   SER  42          HB2       SER  42  16.052  -3.724   1.410
  289   2HB   SER  42          HB1       SER  42  16.673  -2.190   1.997
  290    HG   SER  42           HG       SER  42  16.558  -4.512   3.273
  291    H    ASP  43           HN       ASP  43  12.038  -2.452   2.130
  292    HA   ASP  43           HA       ASP  43  11.910  -4.401   0.000
  293   1HB   ASP  43          HB2       ASP  43   9.609  -4.899   0.805
  294   2HB   ASP  43          HB1       ASP  43  10.881  -5.268   1.961
  295    H    TYR  44           HN       TYR  44  12.403  -1.909  -0.758
  296    HA   TYR  44           HA       TYR  44  11.681  -0.173  -1.979
  297   1HB   TYR  44          HB2       TYR  44   9.686  -0.830  -3.560
  298   2HB   TYR  44          HB1       TYR  44  11.306  -1.480  -3.786
  299    HD1  TYR  44           HD1      TYR  44  11.805  -3.800  -3.156
  300    HD2  TYR  44           HD2      TYR  44   7.872  -2.226  -2.835
  301    HE1  TYR  44           HE1      TYR  44  10.918  -6.082  -2.973
  302    HE2  TYR  44           HE2      TYR  44   6.971  -4.509  -2.648
  303    HH   TYR  44           HH       TYR  44   7.928  -6.944  -3.504
  304    HA   PRO  45           HA       PRO  45   8.233   1.103   0.644
  305   1HB   PRO  45          HB2       PRO  45   9.296   3.433   1.426
  306   2HB   PRO  45          HB1       PRO  45   9.818   1.900   2.133
  307   1HG   PRO  45          HG2       PRO  45  11.146   3.558   0.053
  308   2HG   PRO  45          HG1       PRO  45  11.866   2.713   1.408
  309   1HD   PRO  45          HD2       PRO  45  11.844   1.735  -1.083
  310   2HD   PRO  45          HD1       PRO  45  11.967   0.724   0.286
  311    H    LYS  46           HN       LYS  46   7.775   1.189  -1.915
  312    HA   LYS  46           HA       LYS  46   7.201   4.009  -2.503
  313   1HB   LYS  46          HB2       LYS  46   8.263   1.850  -4.127
  314   2HB   LYS  46          HB1       LYS  46   6.849   2.585  -4.866
  315   1HG   LYS  46          HG2       LYS  46   7.909   4.525  -5.293
  316   2HG   LYS  46          HG1       LYS  46   8.871   4.453  -3.814
  317   1HD   LYS  46          HD2       LYS  46  10.565   3.991  -5.220
  318   2HD   LYS  46          HD1       LYS  46   9.895   2.359  -5.197
  319   1HE   LYS  46          HE2       LYS  46   9.130   2.502  -7.308
  320   2HE   LYS  46          HE1       LYS  46   8.663   4.194  -7.131
  321   1HZ   LYS  46          HZ1       LYS  46  10.445   4.001  -8.717
  322   2HZ   LYS  46          HZ2       LYS  46  11.407   3.156  -7.612
  323   3HZ   LYS  46          HZ3       LYS  46  11.030   4.786  -7.334
  Start of MODEL    5
    1   1H    LYS   1          HT1       LYS   1   0.022   2.270   6.410
    2   2H    LYS   1          HT2       LYS   1   1.014   3.475   7.059
    3   3H    LYS   1          HT3       LYS   1   1.374   1.815   7.282
    4    HA   LYS   1           HA       LYS   1   1.196   3.085   4.639
    5   1HB   LYS   1          HB2       LYS   1   3.623   3.288   4.720
    6   2HB   LYS   1          HB1       LYS   1   2.898   4.204   6.029
    7   1HG   LYS   1          HG2       LYS   1   3.633   1.448   6.705
    8   2HG   LYS   1          HG1       LYS   1   4.984   2.515   6.320
    9   1HD   LYS   1          HD2       LYS   1   2.824   3.148   8.327
   10   2HD   LYS   1          HD1       LYS   1   4.403   2.474   8.742
   11   1HE   LYS   1          HE2       LYS   1   5.466   4.436   8.444
   12   2HE   LYS   1          HE1       LYS   1   4.475   4.887   7.058
   13   1HZ   LYS   1          HZ1       LYS   1   4.212   6.288   9.114
   14   2HZ   LYS   1          HZ2       LYS   1   3.450   4.962   9.838
   15   3HZ   LYS   1          HZ3       LYS   1   2.777   5.675   8.462
   16    H    SER   2           HN       SER   2   2.841   1.816   3.226
   17    HA   SER   2           HA       SER   2   3.088  -0.891   3.887
   18   1HB   SER   2          HB2       SER   2   1.374  -0.046   1.546
   19   2HB   SER   2          HB1       SER   2   1.857  -1.671   1.893
   20    HG   SER   2           HG       SER   2   0.722  -1.493   3.881
   21    H    CYS   3           HN       CYS   3   4.272  -2.097   2.184
   22    HA   CYS   3           HA       CYS   3   6.220  -0.333   0.913
   23   1HB   CYS   3          HB2       CYS   3   6.376  -2.890   2.246
   24   2HB   CYS   3          HB1       CYS   3   7.168  -2.919   0.672
   25    H    CYS   4           HN       CYS   4   5.302   0.152  -0.936
   26    HA   CYS   4           HA       CYS   4   4.659  -1.983  -2.765
   27   1HB   CYS   4          HB2       CYS   4   3.138   0.231  -2.068
   28   2HB   CYS   4          HB1       CYS   4   3.672   0.453  -3.730
   29    HA   PRO   5           HA       PRO   5   8.025  -1.232  -5.481
   30   1HB   PRO   5          HB2       PRO   5   6.421  -0.664  -7.791
   31   2HB   PRO   5          HB1       PRO   5   7.261  -2.164  -7.391
   32   1HG   PRO   5          HG2       PRO   5   4.431  -1.429  -6.992
   33   2HG   PRO   5          HG1       PRO   5   5.166  -3.034  -7.180
   34   1HD   PRO   5          HD2       PRO   5   4.232  -2.180  -4.813
   35   2HD   PRO   5          HD1       PRO   5   5.687  -3.189  -4.925
   36    H    ASN   6           HN       ASN   6   5.534   0.792  -6.914
   37    HA   ASN   6           HA       ASN   6   7.147   3.109  -6.148
   38   1HB   ASN   6          HB2       ASN   6   6.984   4.056  -8.379
   39   2HB   ASN   6          HB1       ASN   6   7.750   2.473  -8.456
   40   1HD2  ASN   6          HD21      ASN   6   6.465   0.677  -9.170
   41   2HD2  ASN   6          HD22      ASN   6   5.137   0.942 -10.245
   42    H    THR   7           HN       THR   7   5.892   5.191  -6.968
   43    HA   THR   7           HA       THR   7   3.696   5.531  -5.364
   44    HB   THR   7           HB       THR   7   4.103   7.050  -7.932
   45    HG1  THR   7           HG1      THR   7   5.489   7.263  -5.471
   46   1HG2  THR   7          HG21      THR   7   2.099   7.623  -6.598
   47   2HG2  THR   7          HG22      THR   7   3.261   8.943  -6.740
   48   3HG2  THR   7          HG23      THR   7   3.162   8.016  -5.241
   49    H    THR   8           HN       THR   8   3.801   4.097  -8.499
   50    HA   THR   8           HA       THR   8   1.194   4.477  -9.388
   51    HB   THR   8           HB       THR   8   3.058   2.127  -9.754
   52    HG1  THR   8           HG1      THR   8   3.639   3.140 -11.567
   53   1HG2  THR   8          HG21      THR   8   1.721   1.431 -11.636
   54   2HG2  THR   8          HG22      THR   8   0.553   2.706 -11.316
   55   3HG2  THR   8          HG23      THR   8   0.756   1.386 -10.163
   56    H    GLY   9           HN       GLY   9   2.525   2.041  -7.199
   57   1HA   GLY   9          HA2       GLY   9   0.201   0.510  -6.855
   58   2HA   GLY   9          HA1       GLY   9   1.493   0.664  -5.677
   59    H    ARG  10           HN       ARG  10   1.305   3.457  -5.263
   60    HA   ARG  10           HA       ARG  10  -0.584   3.531  -3.259
   61   1HB   ARG  10          HB2       ARG  10   1.310   4.969  -3.162
   62   2HB   ARG  10          HB1       ARG  10   0.800   5.807  -4.622
   63   1HG   ARG  10          HG2       ARG  10   0.000   7.298  -3.212
   64   2HG   ARG  10          HG1       ARG  10  -1.293   6.136  -3.016
   65   1HD   ARG  10          HD2       ARG  10   1.002   6.588  -1.239
   66   2HD   ARG  10          HD1       ARG  10  -0.620   6.737  -0.840
   67    HE   ARG  10           HE       ARG  10   0.210   4.086  -1.615
   68   1HH1  ARG  10          HH11      ARG  10  -0.357   6.301   0.926
   69   2HH1  ARG  10          HH12      ARG  10  -0.530   5.048   2.107
   70   1HH2  ARG  10          HH21      ARG  10   0.002   2.439  -0.071
   71   2HH2  ARG  10          HH22      ARG  10  -0.299   2.858   1.498
   72    H    ASN  11           HN       ASN  11  -0.669   4.163  -6.645
   73    HA   ASN  11           HA       ASN  11  -2.954   5.831  -6.718
   74   1HB   ASN  11          HB2       ASN  11  -1.179   4.949  -8.592
   75   2HB   ASN  11          HB1       ASN  11  -2.597   3.972  -8.979
   76   1HD2  ASN  11          HD21      ASN  11  -1.170   7.079  -9.069
   77   2HD2  ASN  11          HD22      ASN  11  -2.457   7.896  -9.881
   78    H    ILE  12           HN       ILE  12  -2.484   2.348  -7.040
   79    HA   ILE  12           HA       ILE  12  -5.214   1.658  -7.290
   80    HB   ILE  12           HB       ILE  12  -2.976   0.024  -6.150
   81   1HG1  ILE  12          HG12      ILE  12  -3.855  -0.254  -8.969
   82   2HG1  ILE  12          HG11      ILE  12  -2.893   1.095  -8.596
   83   1HG2  ILE  12          HG21      ILE  12  -5.780  -0.450  -6.794
   84   2HG2  ILE  12          HG22      ILE  12  -4.676  -1.339  -5.747
   85   3HG2  ILE  12          HG23      ILE  12  -4.657  -1.622  -7.485
   86   1HD1  ILE  12          HD11      ILE  12  -1.314  -0.554  -7.447
   87   2HD1  ILE  12          HD12      ILE  12  -1.274  -0.327  -9.192
   88   3HD1  ILE  12          HD13      ILE  12  -2.133  -1.700  -8.505
   89    H    TYR  13           HN       TYR  13  -2.992   1.830  -4.541
   90    HA   TYR  13           HA       TYR  13  -4.676   0.907  -2.526
   91   1HB   TYR  13          HB2       TYR  13  -2.121   1.953  -2.655
   92   2HB   TYR  13          HB1       TYR  13  -2.991   3.173  -1.735
   93    HD1  TYR  13           HD1      TYR  13  -4.361   2.337   0.248
   94    HD2  TYR  13           HD2      TYR  13  -1.309   0.089  -1.589
   95    HE1  TYR  13           HE1      TYR  13  -4.142   0.968   2.243
   96    HE2  TYR  13           HE2      TYR  13  -1.079  -1.246   0.355
   97    HH   TYR  13           HH       TYR  13  -1.648  -0.729   3.005
   98    H    ASN  14           HN       ASN  14  -4.310   4.091  -3.961
   99    HA   ASN  14           HA       ASN  14  -6.084   5.429  -2.199
  100   1HB   ASN  14          HB2       ASN  14  -4.489   6.098  -4.499
  101   2HB   ASN  14          HB1       ASN  14  -6.109   6.759  -4.706
  102   1HD2  ASN  14          HD21      ASN  14  -3.104   7.124  -3.228
  103   2HD2  ASN  14          HD22      ASN  14  -3.495   8.448  -2.191
  104    H    THR  15           HN       THR  15  -6.533   4.125  -5.498
  105    HA   THR  15           HA       THR  15  -9.213   4.798  -5.814
  106    HB   THR  15           HB       THR  15  -8.435   2.166  -6.880
  107    HG1  THR  15           HG1      THR  15  -6.783   2.865  -8.090
  108   1HG2  THR  15          HG21      THR  15  -8.854   3.772  -9.014
  109   2HG2  THR  15          HG22      THR  15  -9.853   4.558  -7.789
  110   3HG2  THR  15          HG23      THR  15 -10.116   2.858  -8.181
  111    H    CYS  16           HN       CYS  16  -7.697   2.200  -4.072
  112    HA   CYS  16           HA       CYS  16 -10.083   0.732  -3.567
  113   1HB   CYS  16          HB2       CYS  16  -8.356  -0.634  -3.303
  114   2HB   CYS  16          HB1       CYS  16  -7.224   0.552  -2.884
  115    H    ARG  17           HN       ARG  17  -7.949   2.633  -1.451
  116    HA   ARG  17           HA       ARG  17  -9.444   2.648   0.752
  117   1HB   ARG  17          HB2       ARG  17  -7.385   4.309  -0.342
  118   2HB   ARG  17          HB1       ARG  17  -8.448   5.222   0.648
  119   1HG   ARG  17          HG2       ARG  17  -7.498   2.637   1.668
  120   2HG   ARG  17          HG1       ARG  17  -6.271   3.880   1.459
  121   1HD   ARG  17          HD2       ARG  17  -8.554   5.078   2.658
  122   2HD   ARG  17          HD1       ARG  17  -8.187   3.600   3.544
  123    HE   ARG  17           HE       ARG  17  -5.888   5.252   3.044
  124   1HH1  ARG  17          HH11      ARG  17  -8.572   4.657   5.198
  125   2HH1  ARG  17          HH12      ARG  17  -7.800   5.389   6.568
  126   1HH2  ARG  17          HH21      ARG  17  -4.875   6.211   4.844
  127   2HH2  ARG  17          HH22      ARG  17  -5.701   6.268   6.367
  128    H    PHE  18           HN       PHE  18  -9.691   5.007  -1.808
  129    HA   PHE  18           HA       PHE  18 -11.906   6.359  -0.646
  130   1HB   PHE  18          HB2       PHE  18 -10.645   6.451  -3.387
  131   2HB   PHE  18          HB1       PHE  18 -12.055   7.417  -2.962
  132    HD1  PHE  18           HD1      PHE  18  -8.659   6.649  -1.614
  133    HD2  PHE  18           HD2      PHE  18 -11.689   9.567  -2.273
  134    HE1  PHE  18           HE1      PHE  18  -7.189   8.381  -0.677
  135    HE2  PHE  18           HE2      PHE  18 -10.222  11.305  -1.335
  136    HZ   PHE  18           HZ       PHE  18  -7.965  10.714  -0.539
  137    H    GLY  19           HN       GLY  19 -11.491   3.535  -2.520
  138   1HA   GLY  19          HA2       GLY  19 -14.133   3.559  -3.650
  139   2HA   GLY  19          HA1       GLY  19 -12.969   2.248  -3.756
  140    H    GLY  20           HN       GLY  20 -12.677   2.519  -0.712
  141   1HA   GLY  20          HA2       GLY  20 -14.166   2.060   1.070
  142   2HA   GLY  20          HA1       GLY  20 -15.211   1.201   0.000
  143    H    GLY  21           HN       GLY  21 -11.687   0.997   0.378
  144   1HA   GLY  21          HA2       GLY  21 -11.972  -1.817   0.586
  145   2HA   GLY  21          HA1       GLY  21 -10.489  -0.949   0.269
  146    H    SER  22           HN       SER  22  -9.070  -1.354   1.766
  147    HA   SER  22           HA       SER  22  -9.374  -0.511   4.421
  148   1HB   SER  22          HB2       SER  22 -10.877  -2.488   4.538
  149   2HB   SER  22          HB1       SER  22  -9.517  -3.510   4.075
  150    HG   SER  22           HG       SER  22  -9.880  -2.014   6.445
  151    H    ARG  23           HN       ARG  23  -7.716  -3.154   4.995
  152    HA   ARG  23           HA       ARG  23  -5.207  -1.997   4.088
  153   1HB   ARG  23          HB2       ARG  23  -6.056  -3.053   6.639
  154   2HB   ARG  23          HB1       ARG  23  -4.611  -3.875   6.068
  155   1HG   ARG  23          HG2       ARG  23  -3.816  -2.105   7.341
  156   2HG   ARG  23          HG1       ARG  23  -3.644  -1.563   5.672
  157   1HD   ARG  23          HD2       ARG  23  -6.087  -0.922   7.279
  158   2HD   ARG  23          HD1       ARG  23  -4.633   0.023   7.377
  159    HE   ARG  23           HE       ARG  23  -5.600  -0.390   4.693
  160   1HH1  ARG  23          HH11      ARG  23  -5.748   1.590   7.506
  161   2HH1  ARG  23          HH12      ARG  23  -6.277   2.976   6.617
  162   1HH2  ARG  23          HH21      ARG  23  -6.304   1.348   3.527
  163   2HH2  ARG  23          HH22      ARG  23  -6.596   2.835   4.359
  164    H    GLN  24           HN       GLN  24  -6.516  -5.198   4.880
  165    HA   GLN  24           HA       GLN  24  -4.575  -6.561   3.322
  166   1HB   GLN  24          HB2       GLN  24  -6.896  -7.264   4.927
  167   2HB   GLN  24          HB1       GLN  24  -6.815  -8.228   3.464
  168   1HG   GLN  24          HG2       GLN  24  -4.277  -8.456   4.239
  169   2HG   GLN  24          HG1       GLN  24  -5.017  -8.183   5.812
  170   1HE2  GLN  24          HE21      GLN  24  -5.148 -10.073   6.778
  171   2HE2  GLN  24          HE22      GLN  24  -5.764 -11.528   6.089
  172    H    VAL  25           HN       VAL  25  -7.841  -5.416   2.702
  173    HA   VAL  25           HA       VAL  25  -8.102  -6.552   0.168
  174    HB   VAL  25           HB       VAL  25  -9.478  -4.061   1.127
  175   1HG1  VAL  25          HG11      VAL  25 -10.000  -6.028  -0.980
  176   2HG1  VAL  25          HG12      VAL  25  -9.966  -4.267  -1.049
  177   3HG1  VAL  25          HG13      VAL  25 -11.317  -5.095  -0.275
  178   1HG2  VAL  25          HG21      VAL  25 -11.305  -5.651   1.816
  179   2HG2  VAL  25          HG22      VAL  25  -9.854  -5.676   2.818
  180   3HG2  VAL  25          HG23      VAL  25 -10.126  -6.953   1.634
  181    H    CYS  26           HN       CYS  26  -6.902  -3.458   1.311
  182    HA   CYS  26           HA       CYS  26  -6.530  -2.353  -1.215
  183   1HB   CYS  26          HB2       CYS  26  -6.285  -1.456   1.377
  184   2HB   CYS  26          HB1       CYS  26  -4.719  -1.208   0.612
  185    H    ALA  27           HN       ALA  27  -4.576  -4.137   1.014
  186    HA   ALA  27           HA       ALA  27  -2.098  -3.921  -0.227
  187   1HB   ALA  27          HB1       ALA  27  -1.612  -4.833   1.677
  188   2HB   ALA  27          HB2       ALA  27  -1.988  -6.376   0.914
  189   3HB   ALA  27          HB3       ALA  27  -3.223  -5.530   1.850
  190    H    SER  28           HN       SER  28  -4.801  -6.141  -0.605
  191    HA   SER  28           HA       SER  28  -3.413  -7.754  -2.525
  192   1HB   SER  28          HB2       SER  28  -5.165  -8.684  -1.020
  193   2HB   SER  28          HB1       SER  28  -6.362  -7.714  -1.873
  194    HG   SER  28           HG       SER  28  -6.402  -9.169  -3.369
  195    H    LEU  29           HN       LEU  29  -4.839  -4.750  -2.628
  196    HA   LEU  29           HA       LEU  29  -5.778  -4.992  -5.361
  197   1HB   LEU  29          HB2       LEU  29  -6.361  -3.269  -3.133
  198   2HB   LEU  29          HB1       LEU  29  -5.933  -2.313  -4.528
  199    HG   LEU  29           HG       LEU  29  -8.371  -2.701  -4.315
  200   1HD1  LEU  29          HD11      LEU  29  -7.291  -2.279  -6.501
  201   2HD1  LEU  29          HD12      LEU  29  -8.754  -3.250  -6.623
  202   3HD1  LEU  29          HD13      LEU  29  -7.173  -4.020  -6.747
  203   1HD2  LEU  29          HD21      LEU  29  -7.769  -5.189  -3.525
  204   2HD2  LEU  29          HD22      LEU  29  -8.098  -5.497  -5.231
  205   3HD2  LEU  29          HD23      LEU  29  -9.332  -4.749  -4.216
  206    H    SER  30           HN       SER  30  -3.195  -3.592  -3.468
  207    HA   SER  30           HA       SER  30  -1.998  -2.523  -5.941
  208   1HB   SER  30          HB2       SER  30  -0.527  -1.254  -4.212
  209   2HB   SER  30          HB1       SER  30  -2.178  -0.700  -4.498
  210    HG   SER  30           HG       SER  30  -1.507  -2.518  -2.435
  211    H    GLY  31           HN       GLY  31  -1.721  -4.952  -3.570
  212   1HA   GLY  31          HA2       GLY  31  -0.259  -6.698  -3.435
  213   2HA   GLY  31          HA1       GLY  31   0.523  -6.032  -4.832
  214    H    CYS  32           HN       CYS  32   0.076  -3.894  -2.162
  215    HA   CYS  32           HA       CYS  32   2.911  -3.671  -1.798
  216   1HB   CYS  32          HB2       CYS  32   0.883  -2.475   0.036
  217   2HB   CYS  32          HB1       CYS  32   2.468  -1.863  -0.376
  218    H    LYS  33           HN       LYS  33   3.839  -3.672   0.363
  219    HA   LYS  33           HA       LYS  33   3.009  -6.133   1.719
  220   1HB   LYS  33          HB2       LYS  33   5.299  -6.101   0.872
  221   2HB   LYS  33          HB1       LYS  33   5.626  -4.676   1.831
  222   1HG   LYS  33          HG2       LYS  33   4.778  -6.303   3.773
  223   2HG   LYS  33          HG1       LYS  33   5.427  -7.499   2.648
  224   1HD   LYS  33          HD2       LYS  33   7.144  -6.828   4.221
  225   2HD   LYS  33          HD1       LYS  33   7.561  -6.261   2.603
  226   1HE   LYS  33          HE2       LYS  33   7.808  -4.229   3.474
  227   2HE   LYS  33          HE1       LYS  33   6.058  -4.191   3.716
  228   1HZ   LYS  33          HZ1       LYS  33   6.278  -4.506   5.918
  229   2HZ   LYS  33          HZ2       LYS  33   7.851  -3.923   5.679
  230   3HZ   LYS  33          HZ3       LYS  33   7.569  -5.590   5.761
  231    H    ILE  34           HN       ILE  34   1.565  -5.609   3.257
  232    HA   ILE  34           HA       ILE  34   1.460  -3.206   4.679
  233    HB   ILE  34           HB       ILE  34   0.455  -5.891   5.635
  234   1HG1  ILE  34          HG12      ILE  34  -0.332  -5.485   3.410
  235   2HG1  ILE  34          HG11      ILE  34  -1.616  -5.184   4.582
  236   1HG2  ILE  34          HG21      ILE  34   0.162  -3.120   6.585
  237   2HG2  ILE  34          HG22      ILE  34   0.050  -4.647   7.463
  238   3HG2  ILE  34          HG23      ILE  34  -1.240  -4.073   6.518
  239   1HD1  ILE  34          HD11      ILE  34  -0.078  -3.217   2.956
  240   2HD1  ILE  34          HD12      ILE  34  -0.906  -2.724   4.420
  241   3HD1  ILE  34          HD13      ILE  34  -1.809  -3.431   3.083
  242    H    ILE  35           HN       ILE  35   2.714  -2.409   6.216
  243    HA   ILE  35           HA       ILE  35   4.519  -4.225   7.657
  244    HB   ILE  35           HB       ILE  35   5.571  -2.374   6.411
  245   1HG1  ILE  35          HG12      ILE  35   6.402  -1.333   8.894
  246   2HG1  ILE  35          HG11      ILE  35   5.936  -3.003   9.201
  247   1HG2  ILE  35          HG21      ILE  35   4.983  -0.256   6.570
  248   2HG2  ILE  35          HG22      ILE  35   4.748  -0.342   8.311
  249   3HG2  ILE  35          HG23      ILE  35   3.479  -0.863   7.223
  250   1HD1  ILE  35          HD11      ILE  35   7.715  -2.352   6.900
  251   2HD1  ILE  35          HD12      ILE  35   7.576  -3.847   7.822
  252   3HD1  ILE  35          HD13      ILE  35   8.370  -2.444   8.535
  253    H    SER  36           HN       SER  36   4.616  -4.258   9.883
  254    HA   SER  36           HA       SER  36   2.295  -3.114  11.256
  255   1HB   SER  36          HB2       SER  36   3.219  -5.614  11.377
  256   2HB   SER  36          HB1       SER  36   4.198  -4.921  12.668
  257    HG   SER  36           HG       SER  36   2.065  -5.802  13.256
  258    H    ALA  37           HN       ALA  37   4.500  -1.409  10.500
  259    HA   ALA  37           HA       ALA  37   4.969  -0.228  13.048
  260   1HB   ALA  37          HB1       ALA  37   7.497  -0.599  11.576
  261   2HB   ALA  37          HB2       ALA  37   6.855  -1.977  12.412
  262   3HB   ALA  37          HB3       ALA  37   7.196  -0.536  13.309
  263    H    SER  38           HN       SER  38   6.618   1.697  12.594
  264    HA   SER  38           HA       SER  38   5.366   3.177  10.451
  265   1HB   SER  38          HB2       SER  38   7.369   4.248  12.437
  266   2HB   SER  38          HB1       SER  38   6.165   5.147  11.515
  267    HG   SER  38           HG       SER  38   5.905   4.066  13.918
  268    H    THR  39           HN       THR  39   7.649   1.095  10.201
  269    HA   THR  39           HA       THR  39   9.247   2.711   8.351
  270    HB   THR  39           HB       THR  39  10.512   0.564  10.021
  271    HG1  THR  39           HG1      THR  39  10.541   1.838  11.668
  272   1HG2  THR  39          HG21      THR  39  12.126   1.048   8.535
  273   2HG2  THR  39          HG22      THR  39  12.418   2.392   9.635
  274   3HG2  THR  39          HG23      THR  39  11.468   2.638   8.175
  275    H    CYS  40           HN       CYS  40  10.582   1.209   6.889
  276    HA   CYS  40           HA       CYS  40   9.323  -1.264   6.420
  277   1HB   CYS  40          HB2       CYS  40   8.438   0.831   5.005
  278   2HB   CYS  40          HB1       CYS  40   9.663   0.171   3.932
  279    HA   PRO  41           HA       PRO  41  13.542  -2.340   5.593
  280   1HB   PRO  41          HB2       PRO  41  13.134  -4.716   4.332
  281   2HB   PRO  41          HB1       PRO  41  12.960  -4.511   6.078
  282   1HG   PRO  41          HG2       PRO  41  10.847  -4.558   3.955
  283   2HG   PRO  41          HG1       PRO  41  10.853  -5.340   5.553
  284   1HD   PRO  41          HD2       PRO  41   9.533  -3.029   5.075
  285   2HD   PRO  41          HD1       PRO  41  10.277  -3.389   6.643
  286    H    SER  42           HN       SER  42  14.458  -3.775   3.420
  287    HA   SER  42           HA       SER  42  14.397  -1.758   1.359
  288   1HB   SER  42          HB2       SER  42  16.390  -3.325   2.234
  289   2HB   SER  42          HB1       SER  42  15.813  -4.338   0.906
  290    HG   SER  42           HG       SER  42  17.205  -1.994   0.835
  291    H    ASP  43           HN       ASP  43  11.909  -2.863   1.621
  292    HA   ASP  43           HA       ASP  43  11.622  -4.641  -0.590
  293   1HB   ASP  43          HB2       ASP  43   9.882  -4.173   1.734
  294   2HB   ASP  43          HB1       ASP  43   9.264  -4.969   0.296
  295    H    TYR  44           HN       TYR  44  12.146  -2.065  -1.209
  296    HA   TYR  44           HA       TYR  44  11.396  -0.225  -2.256
  297   1HB   TYR  44          HB2       TYR  44   9.332  -0.763  -3.813
  298   2HB   TYR  44          HB1       TYR  44  10.943  -1.360  -4.164
  299    HD1  TYR  44           HD1      TYR  44  11.506  -3.725  -3.727
  300    HD2  TYR  44           HD2      TYR  44   7.557  -2.244  -3.192
  301    HE1  TYR  44           HE1      TYR  44  10.645  -6.029  -3.723
  302    HE2  TYR  44           HE2      TYR  44   6.684  -4.541  -3.187
  303    HH   TYR  44           HH       TYR  44   7.899  -6.968  -4.339
  304    HA   PRO  45           HA       PRO  45   8.051   0.649   0.722
  305   1HB   PRO  45          HB2       PRO  45   9.201   2.877   1.732
  306   2HB   PRO  45          HB1       PRO  45   9.617   1.252   2.298
  307   1HG   PRO  45          HG2       PRO  45  11.062   3.012   0.355
  308   2HG   PRO  45          HG1       PRO  45  11.726   2.028   1.675
  309   1HD   PRO  45          HD2       PRO  45  11.763   1.229  -0.838
  310   2HD   PRO  45          HD1       PRO  45  11.644   0.103   0.432
  311    H    LYS  46           HN       LYS  46   7.072   1.037  -1.438
  312    HA   LYS  46           HA       LYS  46   6.513   3.894  -1.655
  313   1HB   LYS  46          HB2       LYS  46   8.155   2.568  -3.487
  314   2HB   LYS  46          HB1       LYS  46   6.596   2.678  -4.283
  315   1HG   LYS  46          HG2       LYS  46   7.354   4.683  -4.939
  316   2HG   LYS  46          HG1       LYS  46   6.829   5.194  -3.337
  317   1HD   LYS  46          HD2       LYS  46   9.068   5.992  -3.727
  318   2HD   LYS  46          HD1       LYS  46   9.114   4.729  -2.494
  319   1HE   LYS  46          HE2       LYS  46  10.138   3.218  -3.890
  320   2HE   LYS  46          HE1       LYS  46   9.515   3.981  -5.352
  321   1HZ   LYS  46          HZ1       LYS  46  11.968   4.256  -4.874
  322   2HZ   LYS  46          HZ2       LYS  46  11.514   5.310  -3.627
  323   3HZ   LYS  46          HZ3       LYS  46  11.105   5.670  -5.227
  Start of MODEL    6
    1   1H    LYS   1          HT1       LYS   1  -0.988   3.755   4.874
    2   2H    LYS   1          HT2       LYS   1  -0.006   4.993   5.526
    3   3H    LYS   1          HT3       LYS   1   0.139   3.369   6.062
    4    HA   LYS   1           HA       LYS   1   0.526   4.203   3.276
    5   1HB   LYS   1          HB2       LYS   1   2.887   4.352   3.788
    6   2HB   LYS   1          HB1       LYS   1   1.998   5.468   4.813
    7   1HG   LYS   1          HG2       LYS   1   2.403   2.831   6.005
    8   2HG   LYS   1          HG1       LYS   1   3.891   3.714   5.673
    9   1HD   LYS   1          HD2       LYS   1   3.389   5.393   7.156
   10   2HD   LYS   1          HD1       LYS   1   1.645   5.162   6.986
   11   1HE   LYS   1          HE2       LYS   1   2.092   2.884   8.131
   12   2HE   LYS   1          HE1       LYS   1   3.607   3.632   8.640
   13   1HZ   LYS   1          HZ1       LYS   1   2.408   5.334   9.777
   14   2HZ   LYS   1          HZ2       LYS   1   1.757   3.846  10.258
   15   3HZ   LYS   1          HZ3       LYS   1   0.926   4.810   9.141
   16    H    SER   2           HN       SER   2   2.308   2.658   2.433
   17    HA   SER   2           HA       SER   2   2.288   0.034   3.553
   18   1HB   SER   2          HB2       SER   2   1.370  -0.947   1.465
   19   2HB   SER   2          HB1       SER   2   0.196  -0.080   2.394
   20    HG   SER   2           HG       SER   2   0.655   0.178  -0.025
   21    H    CYS   3           HN       CYS   3   3.640  -1.409   2.267
   22    HA   CYS   3           HA       CYS   3   5.868   0.000   1.074
   23   1HB   CYS   3          HB2       CYS   3   5.681  -2.151   2.847
   24   2HB   CYS   3          HB1       CYS   3   6.438  -2.725   1.363
   25    H    CYS   4           HN       CYS   4   5.243   0.324  -0.945
   26    HA   CYS   4           HA       CYS   4   4.695  -1.996  -2.558
   27   1HB   CYS   4          HB2       CYS   4   3.209   0.264  -2.360
   28   2HB   CYS   4          HB1       CYS   4   4.077   0.436  -3.881
   29    HA   PRO   5           HA       PRO   5   8.562  -1.432  -4.606
   30   1HB   PRO   5          HB2       PRO   5   7.919  -2.415  -7.085
   31   2HB   PRO   5          HB1       PRO   5   8.285  -3.421  -5.686
   32   1HG   PRO   5          HG2       PRO   5   5.628  -2.624  -6.811
   33   2HG   PRO   5          HG1       PRO   5   6.154  -4.195  -6.187
   34   1HD   PRO   5          HD2       PRO   5   4.634  -2.543  -4.720
   35   2HD   PRO   5          HD1       PRO   5   5.882  -3.563  -3.975
   36    H    ASN   6           HN       ASN   6   5.628  -0.212  -6.149
   37    HA   ASN   6           HA       ASN   6   7.224   1.945  -7.188
   38   1HB   ASN   6          HB2       ASN   6   5.447   1.795  -9.177
   39   2HB   ASN   6          HB1       ASN   6   6.999   0.957  -9.232
   40   1HD2  ASN   6          HD21      ASN   6   4.093   0.150  -7.384
   41   2HD2  ASN   6          HD22      ASN   6   3.830  -1.300  -8.132
   42    H    THR   7           HN       THR   7   6.272   3.919  -7.086
   43    HA   THR   7           HA       THR   7   4.303   4.448  -5.234
   44    HB   THR   7           HB       THR   7   4.974   6.104  -7.669
   45    HG1  THR   7           HG1      THR   7   6.060   6.227  -5.056
   46   1HG2  THR   7          HG21      THR   7   3.119   7.177  -6.814
   47   2HG2  THR   7          HG22      THR   7   4.450   7.985  -5.978
   48   3HG2  THR   7          HG23      THR   7   3.505   6.744  -5.149
   49    H    THR   8           HN       THR   8   3.943   3.387  -8.483
   50    HA   THR   8           HA       THR   8   1.351   4.269  -9.048
   51    HB   THR   8           HB       THR   8   2.639   1.683  -9.942
   52    HG1  THR   8           HG1      THR   8   2.822   4.318 -10.960
   53   1HG2  THR   8          HG21      THR   8   1.281   1.930 -11.949
   54   2HG2  THR   8          HG22      THR   8   0.509   3.353 -11.256
   55   3HG2  THR   8          HG23      THR   8   0.282   1.776 -10.507
   56    H    GLY   9           HN       GLY   9   2.508   1.315  -7.474
   57   1HA   GLY   9          HA2       GLY   9   0.028   0.101  -7.129
   58   2HA   GLY   9          HA1       GLY   9   1.427  -0.094  -6.096
   59    H    ARG  10           HN       ARG  10   1.705   2.441  -5.134
   60    HA   ARG  10           HA       ARG  10   0.002   2.400  -2.956
   61   1HB   ARG  10          HB2       ARG  10   2.210   3.869  -3.711
   62   2HB   ARG  10          HB1       ARG  10   0.942   5.058  -3.425
   63   1HG   ARG  10          HG2       ARG  10   0.758   3.242  -1.303
   64   2HG   ARG  10          HG1       ARG  10   2.484   3.537  -1.536
   65   1HD   ARG  10          HD2       ARG  10   0.333   5.566  -1.030
   66   2HD   ARG  10          HD1       ARG  10   1.685   5.163  -0.010
   67    HE   ARG  10           HE       ARG  10   2.587   6.051  -2.515
   68   1HH1  ARG  10          HH11      ARG  10   1.205   7.217   0.413
   69   2HH1  ARG  10          HH12      ARG  10   1.909   8.799   0.283
   70   1HH2  ARG  10          HH21      ARG  10   3.515   8.131  -2.712
   71   2HH2  ARG  10          HH22      ARG  10   3.219   9.313  -1.480
   72    H    ASN  11           HN       ASN  11  -0.268   3.692  -6.134
   73    HA   ASN  11           HA       ASN  11  -2.282   5.623  -5.623
   74   1HB   ASN  11          HB2       ASN  11  -0.792   4.924  -7.820
   75   2HB   ASN  11          HB1       ASN  11  -2.376   4.269  -8.239
   76   1HD2  ASN  11          HD21      ASN  11  -0.437   7.014  -8.116
   77   2HD2  ASN  11          HD22      ASN  11  -1.649   8.193  -8.501
   78    H    ILE  12           HN       ILE  12  -2.340   2.245  -6.677
   79    HA   ILE  12           HA       ILE  12  -5.132   1.961  -6.827
   80    HB   ILE  12           HB       ILE  12  -3.112  -0.090  -6.114
   81   1HG1  ILE  12          HG12      ILE  12  -4.124   0.149  -8.891
   82   2HG1  ILE  12          HG11      ILE  12  -2.984   1.333  -8.354
   83   1HG2  ILE  12          HG21      ILE  12  -5.984  -0.115  -6.741
   84   2HG2  ILE  12          HG22      ILE  12  -5.021  -1.246  -5.809
   85   3HG2  ILE  12          HG23      ILE  12  -5.023  -1.327  -7.569
   86   1HD1  ILE  12          HD11      ILE  12  -1.735  -0.839  -7.541
   87   2HD1  ILE  12          HD12      ILE  12  -1.458  -0.050  -9.091
   88   3HD1  ILE  12          HD13      ILE  12  -2.573  -1.416  -8.984
   89    H    TYR  13           HN       TYR  13  -2.810   1.283  -4.238
   90    HA   TYR  13           HA       TYR  13  -4.514   0.294  -2.290
   91   1HB   TYR  13          HB2       TYR  13  -1.886   0.873  -2.359
   92   2HB   TYR  13          HB1       TYR  13  -2.451   2.238  -1.414
   93    HD1  TYR  13           HD1      TYR  13  -4.304   1.406   0.365
   94    HD2  TYR  13           HD2      TYR  13  -1.053  -0.786  -1.086
   95    HE1  TYR  13           HE1      TYR  13  -4.316   0.033   2.397
   96    HE2  TYR  13           HE2      TYR  13  -1.062  -2.174   0.851
   97    HH   TYR  13           HH       TYR  13  -2.389  -1.370   3.627
   98    H    ASN  14           HN       ASN  14  -3.712   3.601  -3.124
   99    HA   ASN  14           HA       ASN  14  -5.277   4.828  -1.112
  100   1HB   ASN  14          HB2       ASN  14  -3.608   5.673  -3.295
  101   2HB   ASN  14          HB1       ASN  14  -5.102   6.600  -3.310
  102   1HD2  ASN  14          HD21      ASN  14  -2.103   6.070  -1.776
  103   2HD2  ASN  14          HD22      ASN  14  -2.264   7.268  -0.545
  104    H    THR  15           HN       THR  15  -5.924   4.278  -4.577
  105    HA   THR  15           HA       THR  15  -8.463   5.397  -4.688
  106    HB   THR  15           HB       THR  15  -7.945   2.885  -6.195
  107    HG1  THR  15           HG1      THR  15  -5.975   3.702  -6.476
  108   1HG2  THR  15          HG21      THR  15  -8.548   4.775  -8.016
  109   2HG2  THR  15          HG22      THR  15  -9.420   5.375  -6.608
  110   3HG2  THR  15          HG23      THR  15  -9.732   3.750  -7.212
  111    H    CYS  16           HN       CYS  16  -7.394   2.343  -3.420
  112    HA   CYS  16           HA       CYS  16 -10.018   1.241  -3.120
  113   1HB   CYS  16          HB2       CYS  16  -8.596  -0.444  -3.233
  114   2HB   CYS  16          HB1       CYS  16  -7.240   0.410  -2.623
  115    H    ARG  17           HN       ARG  17  -7.520   2.228  -0.774
  116    HA   ARG  17           HA       ARG  17  -9.017   2.097   1.441
  117   1HB   ARG  17          HB2       ARG  17  -6.590   3.409   0.587
  118   2HB   ARG  17          HB1       ARG  17  -7.426   4.347   1.811
  119   1HG   ARG  17          HG2       ARG  17  -7.286   1.516   2.460
  120   2HG   ARG  17          HG1       ARG  17  -5.699   2.253   2.248
  121   1HD   ARG  17          HD2       ARG  17  -6.500   2.363   4.581
  122   2HD   ARG  17          HD1       ARG  17  -6.224   3.955   3.882
  123    HE   ARG  17           HE       ARG  17  -8.916   3.257   3.503
  124   1HH1  ARG  17          HH11      ARG  17  -6.713   4.097   6.075
  125   2HH1  ARG  17          HH12      ARG  17  -7.951   4.779   7.080
  126   1HH2  ARG  17          HH21      ARG  17 -10.539   4.149   4.824
  127   2HH2  ARG  17          HH22      ARG  17 -10.123   4.805   6.364
  128    H    PHE  18           HN       PHE  18  -8.622   4.920  -0.584
  129    HA   PHE  18           HA       PHE  18 -10.491   6.501   0.794
  130   1HB   PHE  18          HB2       PHE  18  -9.139   6.834  -1.805
  131   2HB   PHE  18          HB1       PHE  18 -10.317   8.000  -1.193
  132    HD1  PHE  18           HD1      PHE  18  -7.387   6.160   0.178
  133    HD2  PHE  18           HD2      PHE  18  -9.356   9.892  -0.345
  134    HE1  PHE  18           HE1      PHE  18  -5.606   7.286   1.395
  135    HE2  PHE  18           HE2      PHE  18  -7.574  11.028   0.860
  136    HZ   PHE  18           HZ       PHE  18  -5.696   9.725   1.749
  137    H    GLY  19           HN       GLY  19 -10.706   4.054  -1.489
  138   1HA   GLY  19          HA2       GLY  19 -13.211   4.930  -2.594
  139   2HA   GLY  19          HA1       GLY  19 -12.403   3.407  -2.926
  140    H    GLY  20           HN       GLY  20 -12.157   3.038   0.035
  141   1HA   GLY  20          HA2       GLY  20 -13.769   2.664   1.779
  142   2HA   GLY  20          HA1       GLY  20 -14.966   2.317   0.573
  143    H    GLY  21           HN       GLY  21 -11.619   1.129   0.814
  144   1HA   GLY  21          HA2       GLY  21 -12.725  -1.505   0.702
  145   2HA   GLY  21          HA1       GLY  21 -11.090  -1.047   0.271
  146    H    SER  22           HN       SER  22 -10.085  -2.541   1.525
  147    HA   SER  22           HA       SER  22 -10.154  -1.984   4.404
  148   1HB   SER  22          HB2       SER  22 -11.329  -4.205   3.459
  149   2HB   SER  22          HB1       SER  22  -9.671  -4.794   3.563
  150    HG   SER  22           HG       SER  22  -9.784  -3.862   5.793
  151    H    ARG  23           HN       ARG  23  -8.170  -4.252   4.712
  152    HA   ARG  23           HA       ARG  23  -5.854  -2.772   3.760
  153   1HB   ARG  23          HB2       ARG  23  -6.193  -4.679   6.061
  154   2HB   ARG  23          HB1       ARG  23  -4.627  -4.097   5.534
  155   1HG   ARG  23          HG2       ARG  23  -6.881  -2.500   6.694
  156   2HG   ARG  23          HG1       ARG  23  -5.276  -2.775   7.376
  157   1HD   ARG  23          HD2       ARG  23  -4.996  -0.695   6.516
  158   2HD   ARG  23          HD1       ARG  23  -4.499  -1.656   5.127
  159    HE   ARG  23           HE       ARG  23  -6.346  -0.902   3.991
  160   1HH1  ARG  23          HH11      ARG  23  -6.718  -0.187   7.379
  161   2HH1  ARG  23          HH12      ARG  23  -8.139   0.719   7.140
  162   1HH2  ARG  23          HH21      ARG  23  -8.217   0.285   3.673
  163   2HH2  ARG  23          HH22      ARG  23  -8.988   1.017   5.037
  164    H    GLN  24           HN       GLN  24  -6.936  -6.107   4.268
  165    HA   GLN  24           HA       GLN  24  -4.866  -7.261   2.738
  166   1HB   GLN  24          HB2       GLN  24  -7.264  -8.170   4.096
  167   2HB   GLN  24          HB1       GLN  24  -7.046  -9.003   2.561
  168   1HG   GLN  24          HG2       GLN  24  -4.561  -9.221   3.492
  169   2HG   GLN  24          HG1       GLN  24  -5.426  -9.109   5.029
  170   1HE2  GLN  24          HE21      GLN  24  -4.172 -11.362   4.720
  171   2HE2  GLN  24          HE22      GLN  24  -5.225 -12.661   4.287
  172    H    VAL  25           HN       VAL  25  -8.164  -6.269   1.975
  173    HA   VAL  25           HA       VAL  25  -8.171  -7.137  -0.597
  174    HB   VAL  25           HB       VAL  25  -9.692  -4.772   0.395
  175   1HG1  VAL  25          HG11      VAL  25  -9.913  -6.497  -1.945
  176   2HG1  VAL  25          HG12      VAL  25 -10.098  -4.748  -1.781
  177   3HG1  VAL  25          HG13      VAL  25 -11.384  -5.828  -1.234
  178   1HG2  VAL  25          HG21      VAL  25 -11.513  -6.650   0.622
  179   2HG2  VAL  25          HG22      VAL  25 -10.345  -6.367   1.912
  180   3HG2  VAL  25          HG23      VAL  25 -10.102  -7.701   0.785
  181    H    CYS  26           HN       CYS  26  -7.293  -4.093   0.835
  182    HA   CYS  26           HA       CYS  26  -6.741  -2.636  -1.436
  183   1HB   CYS  26          HB2       CYS  26  -6.542  -2.231   1.284
  184   2HB   CYS  26          HB1       CYS  26  -4.964  -1.872   0.603
  185    H    ALA  27           HN       ALA  27  -4.783  -4.680   0.594
  186    HA   ALA  27           HA       ALA  27  -2.305  -4.279  -0.584
  187   1HB   ALA  27          HB1       ALA  27  -2.831  -6.966   0.436
  188   2HB   ALA  27          HB2       ALA  27  -3.061  -5.609   1.538
  189   3HB   ALA  27          HB3       ALA  27  -1.508  -5.853   0.750
  190    H    SER  28           HN       SER  28  -4.863  -6.622  -1.205
  191    HA   SER  28           HA       SER  28  -3.411  -7.896  -3.311
  192   1HB   SER  28          HB2       SER  28  -5.175  -9.018  -1.875
  193   2HB   SER  28          HB1       SER  28  -6.379  -8.103  -2.782
  194    HG   SER  28           HG       SER  28  -6.088 -10.145  -3.711
  195    H    LEU  29           HN       LEU  29  -4.974  -4.971  -3.082
  196    HA   LEU  29           HA       LEU  29  -5.928  -4.957  -5.817
  197   1HB   LEU  29          HB2       LEU  29  -6.565  -3.520  -3.412
  198   2HB   LEU  29          HB1       LEU  29  -6.198  -2.390  -4.700
  199    HG   LEU  29           HG       LEU  29  -7.883  -4.155  -5.955
  200   1HD1  LEU  29          HD11      LEU  29  -9.844  -4.262  -4.377
  201   2HD1  LEU  29          HD12      LEU  29  -8.716  -3.874  -3.079
  202   3HD1  LEU  29          HD13      LEU  29  -8.505  -5.355  -4.016
  203   1HD2  LEU  29          HD21      LEU  29  -9.589  -2.214  -5.117
  204   2HD2  LEU  29          HD22      LEU  29  -8.453  -2.046  -6.451
  205   3HD2  LEU  29          HD23      LEU  29  -8.021  -1.442  -4.855
  206    H    SER  30           HN       SER  30  -3.385  -3.654  -3.794
  207    HA   SER  30           HA       SER  30  -2.272  -2.254  -6.136
  208   1HB   SER  30          HB2       SER  30  -0.901  -1.011  -4.430
  209   2HB   SER  30          HB1       SER  30  -2.630  -0.717  -4.336
  210    HG   SER  30           HG       SER  30  -1.459  -2.744  -2.777
  211    H    GLY  31           HN       GLY  31  -1.849  -4.939  -4.089
  212   1HA   GLY  31          HA2       GLY  31  -0.302  -6.613  -4.146
  213   2HA   GLY  31          HA1       GLY  31   0.388  -5.791  -5.504
  214    H    CYS  32           HN       CYS  32  -0.046  -3.999  -2.585
  215    HA   CYS  32           HA       CYS  32   2.803  -3.815  -2.254
  216   1HB   CYS  32          HB2       CYS  32   0.750  -2.422  -0.563
  217   2HB   CYS  32          HB1       CYS  32   2.403  -1.932  -0.897
  218    H    LYS  33           HN       LYS  33   3.613  -3.740  -0.009
  219    HA   LYS  33           HA       LYS  33   2.645  -6.125   1.355
  220   1HB   LYS  33          HB2       LYS  33   4.990  -6.162   0.674
  221   2HB   LYS  33          HB1       LYS  33   5.269  -4.681   1.584
  222   1HG   LYS  33          HG2       LYS  33   4.228  -6.264   3.508
  223   2HG   LYS  33          HG1       LYS  33   5.079  -7.453   2.513
  224   1HD   LYS  33          HD2       LYS  33   6.536  -6.606   4.269
  225   2HD   LYS  33          HD1       LYS  33   7.131  -6.128   2.677
  226   1HE   LYS  33          HE2       LYS  33   6.902  -3.954   3.130
  227   2HE   LYS  33          HE1       LYS  33   5.297  -4.176   3.828
  228   1HZ   LYS  33          HZ1       LYS  33   6.181  -4.587   5.914
  229   2HZ   LYS  33          HZ2       LYS  33   7.182  -3.352   5.332
  230   3HZ   LYS  33          HZ3       LYS  33   7.719  -4.954   5.324
  231    H    ILE  34           HN       ILE  34   1.698  -5.996   3.287
  232    HA   ILE  34           HA       ILE  34   0.874  -3.575   4.392
  233    HB   ILE  34           HB       ILE  34   1.156  -6.196   5.873
  234   1HG1  ILE  34          HG12      ILE  34  -0.057  -6.595   3.856
  235   2HG1  ILE  34          HG11      ILE  34  -1.148  -6.554   5.201
  236   1HG2  ILE  34          HG21      ILE  34  -0.124  -3.618   6.436
  237   2HG2  ILE  34          HG22      ILE  34   0.597  -4.747   7.539
  238   3HG2  ILE  34          HG23      ILE  34  -0.939  -5.101   6.927
  239   1HD1  ILE  34          HD11      ILE  34  -0.619  -4.240   3.355
  240   2HD1  ILE  34          HD12      ILE  34  -1.863  -4.347   4.600
  241   3HD1  ILE  34          HD13      ILE  34  -1.946  -5.384   3.173
  242    H    ILE  35           HN       ILE  35   2.050  -2.062   5.326
  243    HA   ILE  35           HA       ILE  35   4.694  -2.301   6.136
  244    HB   ILE  35           HB       ILE  35   3.535  -0.200   5.631
  245   1HG1  ILE  35          HG12      ILE  35   4.538   0.860   7.901
  246   2HG1  ILE  35          HG11      ILE  35   5.312  -0.679   7.946
  247   1HG2  ILE  35          HG21      ILE  35   1.938   0.689   6.950
  248   2HG2  ILE  35          HG22      ILE  35   2.581   0.001   8.424
  249   3HG2  ILE  35          HG23      ILE  35   1.621  -0.923   7.320
  250   1HD1  ILE  35          HD11      ILE  35   6.682  -0.188   6.256
  251   2HD1  ILE  35          HD12      ILE  35   6.268   1.446   6.635
  252   3HD1  ILE  35          HD13      ILE  35   5.426   0.598   5.341
  253    H    SER  36           HN       SER  36   5.572  -3.340   7.789
  254    HA   SER  36           HA       SER  36   3.908  -4.016  10.102
  255   1HB   SER  36          HB2       SER  36   6.370  -5.178   8.884
  256   2HB   SER  36          HB1       SER  36   6.114  -5.404  10.612
  257    HG   SER  36           HG       SER  36   4.102  -6.340  10.112
  258    H    ALA  37           HN       ALA  37   4.898  -1.324   9.762
  259    HA   ALA  37           HA       ALA  37   5.798  -0.825  12.355
  260   1HB   ALA  37          HB1       ALA  37   8.039  -0.178  10.534
  261   2HB   ALA  37          HB2       ALA  37   7.881  -1.813  11.050
  262   3HB   ALA  37          HB3       ALA  37   8.054  -0.575  12.248
  263    H    SER  38           HN       SER  38   7.096   1.503  12.121
  264    HA   SER  38           HA       SER  38   5.068   3.137  10.884
  265   1HB   SER  38          HB2       SER  38   7.291   3.714  12.820
  266   2HB   SER  38          HB1       SER  38   6.381   5.014  12.047
  267    HG   SER  38           HG       SER  38   5.689   3.911  14.206
  268    H    THR  39           HN       THR  39   7.615   1.717   9.643
  269    HA   THR  39           HA       THR  39   8.016   3.756   7.640
  270    HB   THR  39           HB       THR  39  10.412   2.568   9.007
  271    HG1  THR  39           HG1      THR  39  10.163   3.946  10.548
  272   1HG2  THR  39          HG21      THR  39  11.197   3.417   7.020
  273   2HG2  THR  39          HG22      THR  39  11.382   4.803   8.105
  274   3HG2  THR  39          HG23      THR  39  10.011   4.724   6.993
  275    H    CYS  40           HN       CYS  40   9.551   2.865   5.896
  276    HA   CYS  40           HA       CYS  40   8.998   0.043   5.523
  277   1HB   CYS  40          HB2       CYS  40   8.745   2.356   3.763
  278   2HB   CYS  40          HB1       CYS  40   9.585   1.010   3.022
  279    HA   PRO  41           HA       PRO  41  13.562   0.219   5.860
  280   1HB   PRO  41          HB2       PRO  41  13.862  -2.176   6.912
  281   2HB   PRO  41          HB1       PRO  41  13.394  -0.824   7.891
  282   1HG   PRO  41          HG2       PRO  41  11.676  -2.950   6.727
  283   2HG   PRO  41          HG1       PRO  41  11.634  -2.232   8.355
  284   1HD   PRO  41          HD2       PRO  41   9.914  -1.507   6.380
  285   2HD   PRO  41          HD1       PRO  41  10.445  -0.434   7.645
  286    H    SER  42           HN       SER  42  14.450   0.036   3.911
  287    HA   SER  42           HA       SER  42  14.972  -0.711   1.826
  288   1HB   SER  42          HB2       SER  42  16.737  -1.716   2.865
  289   2HB   SER  42          HB1       SER  42  15.697  -2.779   3.816
  290    HG   SER  42           HG       SER  42  15.973  -2.999   1.003
  291    H    ASP  43           HN       ASP  43  12.097  -1.460   2.823
  292    HA   ASP  43           HA       ASP  43  11.648  -3.728   1.076
  293   1HB   ASP  43          HB2       ASP  43  10.082  -2.441   3.274
  294   2HB   ASP  43          HB1       ASP  43   9.230  -3.394   2.058
  295    H    TYR  44           HN       TYR  44  12.357  -1.324  -0.126
  296    HA   TYR  44           HA       TYR  44  11.711   0.152  -1.641
  297   1HB   TYR  44          HB2       TYR  44   9.809  -0.782  -3.180
  298   2HB   TYR  44          HB1       TYR  44  11.441  -1.436  -3.203
  299    HD1  TYR  44           HD1      TYR  44   7.962  -2.063  -2.351
  300    HD2  TYR  44           HD2      TYR  44  11.919  -3.595  -2.114
  301    HE1  TYR  44           HE1      TYR  44   7.060  -4.291  -1.822
  302    HE2  TYR  44           HE2      TYR  44  11.033  -5.832  -1.582
  303    HH   TYR  44           HH       TYR  44   8.577  -7.008  -2.140
  304    HA   PRO  45           HA       PRO  45   8.132   1.777   0.666
  305   1HB   PRO  45          HB2       PRO  45   9.140   4.263   0.988
  306   2HB   PRO  45          HB1       PRO  45   9.574   2.918   2.051
  307   1HG   PRO  45          HG2       PRO  45  11.082   4.056  -0.191
  308   2HG   PRO  45          HG1       PRO  45  11.688   3.565   1.319
  309   1HD   PRO  45          HD2       PRO  45  11.918   2.007  -0.811
  310   2HD   PRO  45          HD1       PRO  45  11.749   1.342   0.743
  311    H    LYS  46           HN       LYS  46   7.340   1.402  -1.600
  312    HA   LYS  46           HA       LYS  46   6.732   4.032  -2.726
  313   1HB   LYS  46          HB2       LYS  46   8.322   2.003  -3.976
  314   2HB   LYS  46          HB1       LYS  46   6.820   2.173  -4.877
  315   1HG   LYS  46          HG2       LYS  46   7.251   4.391  -5.418
  316   2HG   LYS  46          HG1       LYS  46   8.422   4.582  -4.119
  317   1HD   LYS  46          HD2       LYS  46   8.900   2.670  -6.381
  318   2HD   LYS  46          HD1       LYS  46   9.306   4.379  -6.527
  319   1HE   LYS  46          HE2       LYS  46  11.284   3.770  -5.657
  320   2HE   LYS  46          HE1       LYS  46  10.418   3.757  -4.120
  321   1HZ   LYS  46          HZ1       LYS  46   9.876   1.312  -5.014
  322   2HZ   LYS  46          HZ2       LYS  46  11.200   1.670  -4.032
  323   3HZ   LYS  46          HZ3       LYS  46  11.411   1.543  -5.702
  Start of MODEL    7
    1   1H    LYS   1          HT1       LYS   1   1.849   2.212   7.460
    2   2H    LYS   1          HT2       LYS   1   2.697   3.673   7.769
    3   3H    LYS   1          HT3       LYS   1   3.504   2.163   7.897
    4    HA   LYS   1           HA       LYS   1   2.501   3.499   5.483
    5   1HB   LYS   1          HB2       LYS   1   4.842   3.415   4.835
    6   2HB   LYS   1          HB1       LYS   1   4.695   4.190   6.408
    7   1HG   LYS   1          HG2       LYS   1   5.814   2.543   7.476
    8   2HG   LYS   1          HG1       LYS   1   5.175   1.276   6.430
    9   1HD   LYS   1          HD2       LYS   1   6.955   1.355   5.078
   10   2HD   LYS   1          HD1       LYS   1   6.910   3.124   5.000
   11   1HE   LYS   1          HE2       LYS   1   8.114   3.285   7.081
   12   2HE   LYS   1          HE1       LYS   1   8.042   1.535   7.301
   13   1HZ   LYS   1          HZ1       LYS   1   9.721   1.207   5.865
   14   2HZ   LYS   1          HZ2       LYS   1  10.114   2.810   6.224
   15   3HZ   LYS   1          HZ3       LYS   1   9.247   2.447   4.823
   16    H    SER   2           HN       SER   2   3.476   2.238   3.523
   17    HA   SER   2           HA       SER   2   3.142  -0.575   3.868
   18   1HB   SER   2          HB2       SER   2   1.703  -0.652   1.860
   19   2HB   SER   2          HB1       SER   2   0.957   0.197   3.156
   20    HG   SER   2           HG       SER   2   0.934   1.115   0.941
   21    H    CYS   3           HN       CYS   3   4.025  -1.821   2.118
   22    HA   CYS   3           HA       CYS   3   6.289  -0.487   0.869
   23   1HB   CYS   3          HB2       CYS   3   5.846  -3.116   1.974
   24   2HB   CYS   3          HB1       CYS   3   6.593  -3.177   0.379
   25    H    CYS   4           HN       CYS   4   5.390   0.385  -0.864
   26    HA   CYS   4           HA       CYS   4   4.129  -1.353  -2.788
   27   1HB   CYS   4          HB2       CYS   4   3.955   1.547  -2.424
   28   2HB   CYS   4          HB1       CYS   4   3.429   0.766  -3.911
   29    HA   PRO   5           HA       PRO   5   7.574  -1.167  -5.515
   30   1HB   PRO   5          HB2       PRO   5   6.338  -1.034  -7.948
   31   2HB   PRO   5          HB1       PRO   5   6.476  -2.514  -6.995
   32   1HG   PRO   5          HG2       PRO   5   4.170  -0.617  -7.241
   33   2HG   PRO   5          HG1       PRO   5   4.166  -2.395  -7.218
   34   1HD   PRO   5          HD2       PRO   5   3.515  -0.944  -5.046
   35   2HD   PRO   5          HD1       PRO   5   4.382  -2.491  -4.915
   36    H    ASN   6           HN       ASN   6   5.021   1.148  -6.056
   37    HA   ASN   6           HA       ASN   6   6.779   3.329  -6.055
   38   1HB   ASN   6          HB2       ASN   6   6.219   3.878  -8.607
   39   2HB   ASN   6          HB1       ASN   6   7.661   2.976  -8.140
   40   1HD2  ASN   6          HD21      ASN   6   4.239   2.094  -8.472
   41   2HD2  ASN   6          HD22      ASN   6   4.503   0.793  -9.574
   42    H    THR   7           HN       THR   7   5.571   5.267  -7.389
   43    HA   THR   7           HA       THR   7   3.421   6.052  -5.943
   44    HB   THR   7           HB       THR   7   4.809   7.181  -7.925
   45    HG1  THR   7           HG1      THR   7   2.179   8.016  -7.298
   46   1HG2  THR   7          HG21      THR   7   3.669   5.993  -9.737
   47   2HG2  THR   7          HG22      THR   7   3.423   7.738  -9.815
   48   3HG2  THR   7          HG23      THR   7   2.134   6.689  -9.207
   49    H    THR   8           HN       THR   8   3.410   3.894  -8.649
   50    HA   THR   8           HA       THR   8   0.716   3.875  -9.325
   51    HB   THR   8           HB       THR   8   2.299   1.335  -9.286
   52    HG1  THR   8           HG1      THR   8   2.759   3.588 -10.938
   53   1HG2  THR   8          HG21      THR   8   0.757   0.675 -10.699
   54   2HG2  THR   8          HG22      THR   8   1.203   1.941 -11.815
   55   3HG2  THR   8          HG23      THR   8   0.007   2.223 -10.600
   56    H    GLY   9           HN       GLY   9   2.442   1.823  -7.009
   57   1HA   GLY   9          HA2       GLY   9   0.259   0.366  -6.076
   58   2HA   GLY   9          HA1       GLY   9   1.688   0.734  -5.132
   59    H    ARG  10           HN       ARG  10   1.545   3.473  -4.963
   60    HA   ARG  10           HA       ARG  10  -0.159   3.824  -2.825
   61   1HB   ARG  10          HB2       ARG  10   1.781   5.180  -3.092
   62   2HB   ARG  10          HB1       ARG  10   1.111   5.913  -4.548
   63   1HG   ARG  10          HG2       ARG  10   0.732   7.516  -2.932
   64   2HG   ARG  10          HG1       ARG  10  -0.728   6.673  -3.019
   65   1HD   ARG  10          HD2       ARG  10   0.081   7.132  -0.701
   66   2HD   ARG  10          HD1       ARG  10  -0.273   5.445  -1.039
   67    HE   ARG  10           HE       ARG  10   1.859   4.938  -0.739
   68   1HH1  ARG  10          HH11      ARG  10   1.525   8.395  -1.062
   69   2HH1  ARG  10          HH12      ARG  10   3.173   8.723  -0.636
   70   1HH2  ARG  10          HH21      ARG  10   4.021   5.364  -0.179
   71   2HH2  ARG  10          HH22      ARG  10   4.590   7.002  -0.134
   72    H    ASN  11           HN       ASN  11  -0.483   4.212  -6.253
   73    HA   ASN  11           HA       ASN  11  -2.785   5.878  -6.266
   74   1HB   ASN  11          HB2       ASN  11  -1.914   5.824  -8.367
   75   2HB   ASN  11          HB1       ASN  11  -1.292   4.212  -8.202
   76   1HD2  ASN  11          HD21      ASN  11  -2.039   3.135  -9.867
   77   2HD2  ASN  11          HD22      ASN  11  -3.688   3.059 -10.368
   78    H    ILE  12           HN       ILE  12  -2.492   2.529  -7.178
   79    HA   ILE  12           HA       ILE  12  -5.090   1.685  -7.048
   80    HB   ILE  12           HB       ILE  12  -2.714   0.127  -6.079
   81   1HG1  ILE  12          HG12      ILE  12  -3.607  -0.327  -8.814
   82   2HG1  ILE  12          HG11      ILE  12  -3.068   1.254  -8.587
   83   1HG2  ILE  12          HG21      ILE  12  -5.524  -0.467  -6.546
   84   2HG2  ILE  12          HG22      ILE  12  -4.298  -1.358  -5.647
   85   3HG2  ILE  12          HG23      ILE  12  -4.418  -1.547  -7.394
   86   1HD1  ILE  12          HD11      ILE  12  -1.500  -0.923  -9.048
   87   2HD1  ILE  12          HD12      ILE  12  -1.231  -0.502  -7.358
   88   3HD1  ILE  12          HD13      ILE  12  -0.948   0.638  -8.623
   89    H    TYR  13           HN       TYR  13  -2.757   1.879  -4.399
   90    HA   TYR  13           HA       TYR  13  -4.358   0.792  -2.365
   91   1HB   TYR  13          HB2       TYR  13  -1.803   1.810  -2.512
   92   2HB   TYR  13          HB1       TYR  13  -2.623   3.001  -1.520
   93    HD1  TYR  13           HD1      TYR  13  -1.439  -0.369  -1.710
   94    HD2  TYR  13           HD2      TYR  13  -3.499   2.404   0.617
   95    HE1  TYR  13           HE1      TYR  13  -1.179  -1.831   0.173
   96    HE2  TYR  13           HE2      TYR  13  -3.244   0.944   2.553
   97    HH   TYR  13           HH       TYR  13  -2.917  -1.590   2.885
   98    H    ASN  14           HN       ASN  14  -4.003   4.060  -3.616
   99    HA   ASN  14           HA       ASN  14  -5.723   5.289  -1.722
  100   1HB   ASN  14          HB2       ASN  14  -4.165   6.100  -4.011
  101   2HB   ASN  14          HB1       ASN  14  -5.770   6.816  -4.099
  102   1HD2  ASN  14          HD21      ASN  14  -2.713   6.936  -2.659
  103   2HD2  ASN  14          HD22      ASN  14  -3.034   8.198  -1.527
  104    H    THR  15           HN       THR  15  -6.232   4.076  -5.027
  105    HA   THR  15           HA       THR  15  -8.905   4.864  -5.308
  106    HB   THR  15           HB       THR  15  -8.212   2.265  -6.493
  107    HG1  THR  15           HG1      THR  15  -6.619   4.557  -6.930
  108   1HG2  THR  15          HG21      THR  15  -8.576   3.900  -8.572
  109   2HG2  THR  15          HG22      THR  15  -9.456   4.800  -7.334
  110   3HG2  THR  15          HG23      THR  15  -9.906   3.130  -7.698
  111    H    CYS  16           HN       CYS  16  -7.421   2.140  -3.712
  112    HA   CYS  16           HA       CYS  16  -9.857   0.753  -3.219
  113   1HB   CYS  16          HB2       CYS  16  -8.236  -0.742  -3.054
  114   2HB   CYS  16          HB1       CYS  16  -6.995   0.411  -2.715
  115    H    ARG  17           HN       ARG  17  -7.587   2.462  -1.108
  116    HA   ARG  17           HA       ARG  17  -9.028   2.381   1.149
  117   1HB   ARG  17          HB2       ARG  17  -6.885   3.974   0.115
  118   2HB   ARG  17          HB1       ARG  17  -7.886   4.913   1.159
  119   1HG   ARG  17          HG2       ARG  17  -7.242   2.287   2.216
  120   2HG   ARG  17          HG1       ARG  17  -5.801   3.228   1.839
  121   1HD   ARG  17          HD2       ARG  17  -6.382   3.720   4.089
  122   2HD   ARG  17          HD1       ARG  17  -6.821   5.129   3.124
  123    HE   ARG  17           HE       ARG  17  -9.095   3.600   3.240
  124   1HH1  ARG  17          HH11      ARG  17  -6.967   5.077   5.579
  125   2HH1  ARG  17          HH12      ARG  17  -8.217   5.303   6.764
  126   1HH2  ARG  17          HH21      ARG  17 -10.736   3.899   4.785
  127   2HH2  ARG  17          HH22      ARG  17 -10.360   4.637   6.306
  128    H    PHE  18           HN       PHE  18  -9.172   4.912  -1.246
  129    HA   PHE  18           HA       PHE  18 -11.359   6.223   0.023
  130   1HB   PHE  18          HB2       PHE  18 -10.005   6.660  -2.612
  131   2HB   PHE  18          HB1       PHE  18 -11.355   7.636  -2.051
  132    HD1  PHE  18           HD1      PHE  18  -8.013   6.459  -0.888
  133    HD2  PHE  18           HD2      PHE  18 -10.890   9.595  -0.946
  134    HE1  PHE  18           HE1      PHE  18  -6.450   7.907   0.297
  135    HE2  PHE  18           HE2      PHE  18  -9.328  11.051   0.250
  136    HZ   PHE  18           HZ       PHE  18  -7.103  10.213   0.865
  137    H    GLY  19           HN       GLY  19 -11.065   3.531  -1.914
  138   1HA   GLY  19          HA2       GLY  19 -13.657   3.893  -3.183
  139   2HA   GLY  19          HA1       GLY  19 -12.510   2.621  -3.545
  140    H    GLY  20           HN       GLY  20 -12.227   2.282  -0.491
  141   1HA   GLY  20          HA2       GLY  20 -13.861   1.526   1.116
  142   2HA   GLY  20          HA1       GLY  20 -14.738   0.793  -0.124
  143    H    GLY  21           HN       GLY  21 -11.311   0.787   0.776
  144   1HA   GLY  21          HA2       GLY  21 -11.454  -2.025   1.140
  145   2HA   GLY  21          HA1       GLY  21 -10.278  -1.383   0.066
  146    H    SER  22           HN       SER  22 -10.489  -2.613   2.935
  147    HA   SER  22           HA       SER  22  -9.143  -0.840   4.628
  148   1HB   SER  22          HB2       SER  22 -10.410  -3.019   5.207
  149   2HB   SER  22          HB1       SER  22  -8.901  -3.836   4.803
  150    HG   SER  22           HG       SER  22  -8.976  -3.370   7.019
  151    H    ARG  23           HN       ARG  23  -7.013  -2.810   5.396
  152    HA   ARG  23           HA       ARG  23  -5.033  -1.813   3.554
  153   1HB   ARG  23          HB2       ARG  23  -4.754  -3.268   6.174
  154   2HB   ARG  23          HB1       ARG  23  -3.404  -2.694   5.219
  155   1HG   ARG  23          HG2       ARG  23  -5.451  -1.126   6.726
  156   2HG   ARG  23          HG1       ARG  23  -3.688  -1.052   6.825
  157   1HD   ARG  23          HD2       ARG  23  -4.194   0.778   5.648
  158   2HD   ARG  23          HD1       ARG  23  -3.837  -0.298   4.355
  159    HE   ARG  23           HE       ARG  23  -6.062  -0.220   3.720
  160   1HH1  ARG  23          HH11      ARG  23  -5.665   1.355   6.771
  161   2HH1  ARG  23          HH12      ARG  23  -7.241   2.063   6.734
  162   1HH2  ARG  23          HH21      ARG  23  -8.137   0.635   3.674
  163   2HH2  ARG  23          HH22      ARG  23  -8.647   1.649   4.978
  164    H    GLN  24           HN       GLN  24  -6.306  -4.896   4.674
  165    HA   GLN  24           HA       GLN  24  -4.464  -6.517   3.265
  166   1HB   GLN  24          HB2       GLN  24  -6.902  -6.899   4.797
  167   2HB   GLN  24          HB1       GLN  24  -6.857  -7.956   3.392
  168   1HG   GLN  24          HG2       GLN  24  -4.393  -8.380   4.287
  169   2HG   GLN  24          HG1       GLN  24  -5.154  -7.939   5.809
  170   1HE2  GLN  24          HE21      GLN  24  -5.387  -9.797   6.856
  171   2HE2  GLN  24          HE22      GLN  24  -6.169 -11.207   6.234
  172    H    VAL  25           HN       VAL  25  -7.720  -5.367   2.485
  173    HA   VAL  25           HA       VAL  25  -7.908  -6.522  -0.004
  174    HB   VAL  25           HB       VAL  25  -9.177  -3.926   0.828
  175   1HG1  VAL  25          HG11      VAL  25  -9.603  -5.797  -1.360
  176   2HG1  VAL  25          HG12      VAL  25  -9.651  -4.031  -1.319
  177   3HG1  VAL  25          HG13      VAL  25 -10.998  -4.976  -0.672
  178   1HG2  VAL  25          HG21      VAL  25 -11.148  -5.477   1.354
  179   2HG2  VAL  25          HG22      VAL  25  -9.802  -5.444   2.499
  180   3HG2  VAL  25          HG23      VAL  25  -9.950  -6.773   1.354
  181    H    CYS  26           HN       CYS  26  -6.665  -3.418   1.047
  182    HA   CYS  26           HA       CYS  26  -6.120  -2.325  -1.403
  183   1HB   CYS  26          HB2       CYS  26  -5.553  -1.697   1.296
  184   2HB   CYS  26          HB1       CYS  26  -4.192  -1.317   0.287
  185    H    ALA  27           HN       ALA  27  -4.267  -4.294   0.769
  186    HA   ALA  27           HA       ALA  27  -1.811  -4.273  -0.497
  187   1HB   ALA  27          HB1       ALA  27  -2.556  -6.780   0.773
  188   2HB   ALA  27          HB2       ALA  27  -2.635  -5.320   1.750
  189   3HB   ALA  27          HB3       ALA  27  -1.127  -5.776   0.962
  190    H    SER  28           HN       SER  28  -4.619  -6.374  -0.852
  191    HA   SER  28           HA       SER  28  -3.370  -7.981  -2.856
  192   1HB   SER  28          HB2       SER  28  -5.021  -9.101  -1.574
  193   2HB   SER  28          HB1       SER  28  -6.186  -7.797  -1.803
  194    HG   SER  28           HG       SER  28  -6.797  -9.337  -3.220
  195    H    LEU  29           HN       LEU  29  -4.656  -4.901  -2.880
  196    HA   LEU  29           HA       LEU  29  -5.602  -5.062  -5.613
  197   1HB   LEU  29          HB2       LEU  29  -6.179  -3.385  -3.342
  198   2HB   LEU  29          HB1       LEU  29  -5.728  -2.402  -4.720
  199    HG   LEU  29           HG       LEU  29  -7.498  -4.110  -5.879
  200   1HD1  LEU  29          HD11      LEU  29  -9.474  -3.998  -4.231
  201   2HD1  LEU  29          HD12      LEU  29  -8.237  -3.821  -2.989
  202   3HD1  LEU  29          HD13      LEU  29  -8.262  -5.260  -4.008
  203   1HD2  LEU  29          HD21      LEU  29  -7.972  -1.978  -6.419
  204   2HD2  LEU  29          HD22      LEU  29  -7.561  -1.369  -4.821
  205   3HD2  LEU  29          HD23      LEU  29  -9.143  -2.094  -5.108
  206    H    SER  30           HN       SER  30  -3.014  -3.747  -3.673
  207    HA   SER  30           HA       SER  30  -1.764  -2.678  -6.126
  208   1HB   SER  30          HB2       SER  30  -1.001  -1.869  -3.329
  209   2HB   SER  30          HB1       SER  30  -0.682  -1.026  -4.841
  210    HG   SER  30           HG       SER  30  -2.824  -0.851  -3.206
  211    H    GLY  31           HN       GLY  31  -1.656  -5.299  -4.134
  212   1HA   GLY  31          HA2       GLY  31  -0.157  -6.946  -3.790
  213   2HA   GLY  31          HA1       GLY  31   0.658  -6.286  -5.173
  214    H    CYS  32           HN       CYS  32   0.168  -4.130  -2.539
  215    HA   CYS  32           HA       CYS  32   3.017  -4.028  -2.066
  216   1HB   CYS  32          HB2       CYS  32   0.844  -2.477  -0.674
  217   2HB   CYS  32          HB1       CYS  32   2.555  -2.094  -0.723
  218    H    LYS  33           HN       LYS  33   3.674  -3.711   0.206
  219    HA   LYS  33           HA       LYS  33   2.738  -6.072   1.680
  220   1HB   LYS  33          HB2       LYS  33   5.295  -5.078   1.124
  221   2HB   LYS  33          HB1       LYS  33   5.045  -4.731   2.826
  222   1HG   LYS  33          HG2       LYS  33   6.114  -6.867   2.594
  223   2HG   LYS  33          HG1       LYS  33   4.468  -7.101   3.197
  224   1HD   LYS  33          HD2       LYS  33   4.555  -8.712   1.566
  225   2HD   LYS  33          HD1       LYS  33   3.906  -7.357   0.650
  226   1HE   LYS  33          HE2       LYS  33   5.831  -7.056  -0.478
  227   2HE   LYS  33          HE1       LYS  33   6.858  -7.626   0.780
  228   1HZ   LYS  33          HZ1       LYS  33   7.030  -9.370  -0.597
  229   2HZ   LYS  33          HZ2       LYS  33   5.485  -9.161  -1.221
  230   3HZ   LYS  33          HZ3       LYS  33   5.663  -9.885   0.225
  231    H    ILE  34           HN       ILE  34   1.656  -5.911   3.542
  232    HA   ILE  34           HA       ILE  34   1.058  -3.252   4.563
  233    HB   ILE  34           HB       ILE  34  -0.035  -5.846   5.565
  234   1HG1  ILE  34          HG12      ILE  34  -0.391  -5.821   3.173
  235   2HG1  ILE  34          HG11      ILE  34  -1.903  -5.436   3.992
  236   1HG2  ILE  34          HG21      ILE  34  -0.535  -2.977   5.969
  237   2HG2  ILE  34          HG22      ILE  34  -0.831  -4.353   7.038
  238   3HG2  ILE  34          HG23      ILE  34  -1.968  -3.984   5.741
  239   1HD1  ILE  34          HD11      ILE  34  -0.452  -3.035   3.397
  240   2HD1  ILE  34          HD12      ILE  34  -2.064  -3.520   2.890
  241   3HD1  ILE  34          HD13      ILE  34  -0.663  -4.005   1.943
  242    H    ILE  35           HN       ILE  35   2.809  -2.603   5.751
  243    HA   ILE  35           HA       ILE  35   3.929  -4.377   7.764
  244    HB   ILE  35           HB       ILE  35   5.437  -2.958   6.439
  245   1HG1  ILE  35          HG12      ILE  35   6.190  -1.648   8.797
  246   2HG1  ILE  35          HG11      ILE  35   5.336  -3.086   9.337
  247   1HG2  ILE  35          HG21      ILE  35   4.273  -1.025   5.967
  248   2HG2  ILE  35          HG22      ILE  35   5.474  -0.535   7.140
  249   3HG2  ILE  35          HG23      ILE  35   3.811  -0.785   7.648
  250   1HD1  ILE  35          HD11      ILE  35   7.230  -3.613   7.188
  251   2HD1  ILE  35          HD12      ILE  35   7.010  -4.425   8.735
  252   3HD1  ILE  35          HD13      ILE  35   7.974  -2.956   8.643
  253    H    SER  36           HN       SER  36   3.756  -4.122   9.962
  254    HA   SER  36           HA       SER  36   1.586  -2.377  10.855
  255   1HB   SER  36          HB2       SER  36   2.037  -3.826  13.035
  256   2HB   SER  36          HB1       SER  36   1.106  -4.480  11.688
  257    HG   SER  36           HG       SER  36   3.380  -5.392  12.730
  258    H    ALA  37           HN       ALA  37   4.152  -1.277  10.249
  259    HA   ALA  37           HA       ALA  37   4.561   0.144  12.664
  260   1HB   ALA  37          HB1       ALA  37   7.120  -0.985  11.769
  261   2HB   ALA  37          HB2       ALA  37   6.026  -2.042  12.610
  262   3HB   ALA  37          HB3       ALA  37   6.552  -0.615  13.393
  263    H    SER  38           HN       SER  38   6.858   1.435  12.215
  264    HA   SER  38           HA       SER  38   6.296   2.851   9.748
  265   1HB   SER  38          HB2       SER  38   8.124   3.603  12.032
  266   2HB   SER  38          HB1       SER  38   7.693   4.637  10.674
  267    HG   SER  38           HG       SER  38   6.178   3.862  12.884
  268    H    THR  39           HN       THR  39   7.711   0.250   9.813
  269    HA   THR  39           HA       THR  39  10.129   1.107   8.381
  270    HB   THR  39           HB       THR  39  10.085  -1.375   9.988
  271    HG1  THR  39           HG1      THR  39   9.682   0.216  11.475
  272   1HG2  THR  39          HG21      THR  39  12.023  -1.527   8.873
  273   2HG2  THR  39          HG22      THR  39  12.585  -0.485  10.150
  274   3HG2  THR  39          HG23      THR  39  12.122   0.165   8.584
  275    H    CYS  40           HN       CYS  40  11.006  -0.724   7.005
  276    HA   CYS  40           HA       CYS  40   9.173  -2.680   6.171
  277   1HB   CYS  40          HB2       CYS  40   8.703  -0.276   5.043
  278   2HB   CYS  40          HB1       CYS  40   9.755  -1.011   3.850
  279    HA   PRO  41           HA       PRO  41  13.085  -4.443   5.062
  280   1HB   PRO  41          HB2       PRO  41  12.197  -6.500   3.509
  281   2HB   PRO  41          HB1       PRO  41  12.101  -6.508   5.271
  282   1HG   PRO  41          HG2       PRO  41   9.988  -5.856   3.261
  283   2HG   PRO  41          HG1       PRO  41   9.864  -6.828   4.739
  284   1HD   PRO  41          HD2       PRO  41   9.014  -4.267   4.627
  285   2HD   PRO  41          HD1       PRO  41   9.714  -4.967   6.100
  286    H    SER  42           HN       SER  42  13.728  -5.703   2.712
  287    HA   SER  42           HA       SER  42  14.011  -3.465   0.915
  288   1HB   SER  42          HB2       SER  42  15.686  -5.477   1.552
  289   2HB   SER  42          HB1       SER  42  14.966  -6.146   0.102
  290    HG   SER  42           HG       SER  42  16.464  -3.779   0.412
  291    H    ASP  43           HN       ASP  43  11.367  -4.156   1.099
  292    HA   ASP  43           HA       ASP  43  10.798  -5.535  -1.328
  293   1HB   ASP  43          HB2       ASP  43   9.798  -6.341   0.839
  294   2HB   ASP  43          HB1       ASP  43   8.728  -4.951   0.686
  295    H    TYR  44           HN       TYR  44  11.697  -3.008  -1.600
  296    HA   TYR  44           HA       TYR  44  11.238  -0.907  -2.350
  297   1HB   TYR  44          HB2       TYR  44   9.013  -0.960  -3.843
  298   2HB   TYR  44          HB1       TYR  44  10.539  -1.640  -4.388
  299    HD1  TYR  44           HD1      TYR  44  10.893  -4.110  -4.276
  300    HD2  TYR  44           HD2      TYR  44   7.111  -2.337  -3.474
  301    HE1  TYR  44           HE1      TYR  44   9.805  -6.290  -4.590
  302    HE2  TYR  44           HE2      TYR  44   6.014  -4.512  -3.788
  303    HH   TYR  44           HH       TYR  44   7.212  -6.966  -5.325
  304    HA   PRO  45           HA       PRO  45   8.164   0.115   0.793
  305   1HB   PRO  45          HB2       PRO  45   9.662   1.935   2.058
  306   2HB   PRO  45          HB1       PRO  45   9.896   0.208   2.324
  307   1HG   PRO  45          HG2       PRO  45  11.464   2.088   0.610
  308   2HG   PRO  45          HG1       PRO  45  12.048   0.804   1.686
  309   1HD   PRO  45          HD2       PRO  45  11.797   0.531  -0.950
  310   2HD   PRO  45          HD1       PRO  45  11.734  -0.773   0.120
  311    H    LYS  46           HN       LYS  46   7.666   0.964  -1.620
  312    HA   LYS  46           HA       LYS  46   7.737   3.888  -1.531
  313   1HB   LYS  46          HB2       LYS  46   8.123   2.018  -3.624
  314   2HB   LYS  46          HB1       LYS  46   6.653   2.910  -3.986
  315   1HG   LYS  46          HG2       LYS  46   8.078   4.350  -4.946
  316   2HG   LYS  46          HG1       LYS  46   8.270   4.943  -3.289
  317   1HD   LYS  46          HD2       LYS  46  10.468   4.659  -3.985
  318   2HD   LYS  46          HD1       LYS  46  10.139   3.152  -3.129
  319   1HE   LYS  46          HE2       LYS  46  10.035   1.912  -5.064
  320   2HE   LYS  46          HE1       LYS  46   9.610   3.304  -6.063
  321   1HZ   LYS  46          HZ1       LYS  46  11.811   2.773  -6.599
  322   2HZ   LYS  46          HZ2       LYS  46  12.271   2.589  -4.981
  323   3HZ   LYS  46          HZ3       LYS  46  11.926   4.125  -5.593
  Start of MODEL    8
    1   1H    LYS   1          HT1       LYS   1  -0.811   2.303   6.225
    2   2H    LYS   1          HT2       LYS   1  -1.390   2.866   4.712
    3   3H    LYS   1          HT3       LYS   1  -0.844   3.986   5.896
    4    HA   LYS   1           HA       LYS   1   0.663   3.658   4.123
    5   1HB   LYS   1          HB2       LYS   1   1.245   4.254   6.493
    6   2HB   LYS   1          HB1       LYS   1   1.568   2.549   6.781
    7   1HG   LYS   1          HG2       LYS   1   3.552   2.609   5.742
    8   2HG   LYS   1          HG1       LYS   1   2.968   3.668   4.464
    9   1HD   LYS   1          HD2       LYS   1   2.919   5.361   6.580
   10   2HD   LYS   1          HD1       LYS   1   4.275   4.324   7.023
   11   1HE   LYS   1          HE2       LYS   1   5.145   6.165   5.786
   12   2HE   LYS   1          HE1       LYS   1   5.224   4.730   4.752
   13   1HZ   LYS   1          HZ1       LYS   1   4.341   6.257   3.323
   14   2HZ   LYS   1          HZ2       LYS   1   3.491   7.089   4.535
   15   3HZ   LYS   1          HZ3       LYS   1   2.913   5.607   3.959
   16    H    SER   2           HN       SER   2   2.296   2.271   3.210
   17    HA   SER   2           HA       SER   2   2.464  -0.417   3.723
   18   1HB   SER   2          HB2       SER   2   0.254   0.300   2.080
   19   2HB   SER   2          HB1       SER   2   1.379  -0.557   1.116
   20    HG   SER   2           HG       SER   2   0.097  -1.303   3.501
   21    H    CYS   3           HN       CYS   3   3.746  -1.557   2.045
   22    HA   CYS   3           HA       CYS   3   5.651   0.239   0.826
   23   1HB   CYS   3          HB2       CYS   3   5.901  -2.204   2.230
   24   2HB   CYS   3          HB1       CYS   3   6.705  -2.266   0.669
   25    H    CYS   4           HN       CYS   4   4.937   0.701  -1.093
   26    HA   CYS   4           HA       CYS   4   4.111  -1.428  -2.838
   27   1HB   CYS   4          HB2       CYS   4   3.631   1.454  -2.892
   28   2HB   CYS   4          HB1       CYS   4   3.461   0.501  -4.362
   29    HA   PRO   5           HA       PRO   5   7.789  -1.381  -5.244
   30   1HB   PRO   5          HB2       PRO   5   6.782  -1.545  -7.792
   31   2HB   PRO   5          HB1       PRO   5   6.924  -2.922  -6.691
   32   1HG   PRO   5          HG2       PRO   5   4.535  -1.229  -7.320
   33   2HG   PRO   5          HG1       PRO   5   4.641  -2.989  -7.098
   34   1HD   PRO   5          HD2       PRO   5   3.701  -1.382  -5.163
   35   2HD   PRO   5          HD1       PRO   5   4.667  -2.827  -4.788
   36    H    ASN   6           HN       ASN   6   5.273   0.483  -6.876
   37    HA   ASN   6           HA       ASN   6   7.156   2.719  -6.968
   38   1HB   ASN   6          HB2       ASN   6   6.158   3.115  -9.378
   39   2HB   ASN   6          HB1       ASN   6   7.533   2.039  -9.138
   40   1HD2  ASN   6          HD21      ASN   6   3.988   1.917  -9.070
   41   2HD2  ASN   6          HD22      ASN   6   3.849   0.418  -9.916
   42    H    THR   7           HN       THR   7   6.077   4.780  -7.566
   43    HA   THR   7           HA       THR   7   4.014   5.441  -5.915
   44    HB   THR   7           HB       THR   7   4.286   6.794  -8.578
   45    HG1  THR   7           HG1      THR   7   6.163   7.675  -7.981
   46   1HG2  THR   7          HG21      THR   7   4.102   8.837  -7.178
   47   2HG2  THR   7          HG22      THR   7   3.754   7.791  -5.800
   48   3HG2  THR   7          HG23      THR   7   2.659   7.817  -7.187
   49    H    THR   8           HN       THR   8   3.790   3.899  -8.997
   50    HA   THR   8           HA       THR   8   1.135   4.451  -9.651
   51    HB   THR   8           HB       THR   8   2.190   1.734 -10.225
   52    HG1  THR   8           HG1      THR   8   3.667   2.557 -11.708
   53   1HG2  THR   8          HG21      THR   8   0.243   2.262 -11.418
   54   2HG2  THR   8          HG22      THR   8   1.572   2.447 -12.563
   55   3HG2  THR   8          HG23      THR   8   0.835   3.870 -11.828
   56    H    GLY   9           HN       GLY   9   2.515   1.785  -7.777
   57   1HA   GLY   9          HA2       GLY   9   0.131   0.426  -7.213
   58   2HA   GLY   9          HA1       GLY   9   1.567   0.394  -6.205
   59    H    ARG  10           HN       ARG  10   1.697   3.107  -5.523
   60    HA   ARG  10           HA       ARG  10   0.060   3.201  -3.282
   61   1HB   ARG  10          HB2       ARG  10   1.787   5.137  -4.708
   62   2HB   ARG  10          HB1       ARG  10   0.587   5.818  -3.619
   63   1HG   ARG  10          HG2       ARG  10   2.562   3.693  -2.819
   64   2HG   ARG  10          HG1       ARG  10   2.823   5.429  -2.596
   65   1HD   ARG  10          HD2       ARG  10   0.259   4.456  -1.589
   66   2HD   ARG  10          HD1       ARG  10   1.648   3.761  -0.777
   67    HE   ARG  10           HE       ARG  10   2.023   6.521  -0.951
   68   1HH1  ARG  10          HH11      ARG  10  -0.001   4.239   0.562
   69   2HH1  ARG  10          HH12      ARG  10  -0.283   5.274   1.918
   70   1HH2  ARG  10          HH21      ARG  10   1.649   7.874   0.749
   71   2HH2  ARG  10          HH22      ARG  10   0.624   7.341   2.028
   72    H    ASN  11           HN       ASN  11  -0.422   4.100  -6.580
   73    HA   ASN  11           HA       ASN  11  -2.627   5.842  -6.189
   74   1HB   ASN  11          HB2       ASN  11  -1.133   5.149  -8.351
   75   2HB   ASN  11          HB1       ASN  11  -2.582   4.202  -8.648
   76   1HD2  ASN  11          HD21      ASN  11  -1.244   7.384  -8.366
   77   2HD2  ASN  11          HD22      ASN  11  -2.593   8.235  -9.031
   78    H    ILE  12           HN       ILE  12  -2.395   2.401  -7.029
   79    HA   ILE  12           HA       ILE  12  -5.146   1.854  -6.974
   80    HB   ILE  12           HB       ILE  12  -2.943  -0.007  -6.262
   81   1HG1  ILE  12          HG12      ILE  12  -3.923  -0.023  -9.025
   82   2HG1  ILE  12          HG11      ILE  12  -3.069   1.377  -8.599
   83   1HG2  ILE  12          HG21      ILE  12  -5.100  -0.910  -5.801
   84   2HG2  ILE  12          HG22      ILE  12  -4.531  -1.635  -7.308
   85   3HG2  ILE  12          HG23      ILE  12  -5.734  -0.345  -7.348
   86   1HD1  ILE  12          HD11      ILE  12  -1.538  -0.680  -7.604
   87   2HD1  ILE  12          HD12      ILE  12  -1.158   0.334  -8.936
   88   3HD1  ILE  12          HD13      ILE  12  -2.015  -1.103  -9.250
   89    H    TYR  13           HN       TYR  13  -2.645   1.594  -4.496
   90    HA   TYR  13           HA       TYR  13  -4.184   0.520  -2.430
   91   1HB   TYR  13          HB2       TYR  13  -1.574   1.411  -2.742
   92   2HB   TYR  13          HB1       TYR  13  -2.236   2.492  -1.529
   93    HD1  TYR  13           HD1      TYR  13  -1.292  -0.874  -2.292
   94    HD2  TYR  13           HD2      TYR  13  -2.918   1.650   0.568
   95    HE1  TYR  13           HE1      TYR  13  -0.935  -2.599  -0.582
   96    HE2  TYR  13           HE2      TYR  13  -2.565  -0.008   2.295
   97    HH   TYR  13           HH       TYR  13  -0.631  -2.690   1.819
   98    H    ASN  14           HN       ASN  14  -3.727   3.823  -3.544
   99    HA   ASN  14           HA       ASN  14  -5.172   5.036  -1.416
  100   1HB   ASN  14          HB2       ASN  14  -3.786   5.881  -3.824
  101   2HB   ASN  14          HB1       ASN  14  -5.274   6.784  -3.584
  102   1HD2  ASN  14          HD21      ASN  14  -2.067   6.274  -2.551
  103   2HD2  ASN  14          HD22      ASN  14  -2.043   7.449  -1.289
  104    H    THR  15           HN       THR  15  -6.010   4.213  -4.788
  105    HA   THR  15           HA       THR  15  -8.628   5.204  -4.760
  106    HB   THR  15           HB       THR  15  -8.095   2.681  -6.229
  107    HG1  THR  15           HG1      THR  15  -6.158   3.525  -6.645
  108   1HG2  THR  15          HG21      THR  15  -9.940   3.482  -7.195
  109   2HG2  THR  15          HG22      THR  15  -8.819   4.536  -8.062
  110   3HG2  THR  15          HG23      THR  15  -9.645   5.122  -6.619
  111    H    CYS  16           HN       CYS  16  -7.260   2.259  -3.513
  112    HA   CYS  16           HA       CYS  16  -9.763   0.983  -2.986
  113   1HB   CYS  16          HB2       CYS  16  -8.273  -0.620  -3.082
  114   2HB   CYS  16          HB1       CYS  16  -6.912   0.367  -2.739
  115    H    ARG  17           HN       ARG  17  -7.211   2.310  -0.897
  116    HA   ARG  17           HA       ARG  17  -8.501   2.128   1.444
  117   1HB   ARG  17          HB2       ARG  17  -6.288   3.627   0.360
  118   2HB   ARG  17          HB1       ARG  17  -7.126   4.535   1.600
  119   1HG   ARG  17          HG2       ARG  17  -6.674   1.780   2.374
  120   2HG   ARG  17          HG1       ARG  17  -5.172   2.614   1.971
  121   1HD   ARG  17          HD2       ARG  17  -7.256   3.531   3.950
  122   2HD   ARG  17          HD1       ARG  17  -5.678   2.856   4.341
  123    HE   ARG  17           HE       ARG  17  -5.283   5.077   2.700
  124   1HH1  ARG  17          HH11      ARG  17  -6.472   4.349   5.893
  125   2HH1  ARG  17          HH12      ARG  17  -6.007   5.883   6.556
  126   1HH2  ARG  17          HH21      ARG  17  -4.663   7.087   3.562
  127   2HH2  ARG  17          HH22      ARG  17  -4.979   7.433   5.228
  128    H    PHE  18           HN       PHE  18  -8.559   4.890  -0.701
  129    HA   PHE  18           HA       PHE  18 -10.537   6.254   0.783
  130   1HB   PHE  18          HB2       PHE  18  -9.316   6.829  -1.844
  131   2HB   PHE  18          HB1       PHE  18 -10.520   7.867  -1.088
  132    HD1  PHE  18           HD1      PHE  18  -7.213   6.300  -0.373
  133    HD2  PHE  18           HD2      PHE  18  -9.811   9.618   0.181
  134    HE1  PHE  18           HE1      PHE  18  -5.431   7.474   0.764
  135    HE2  PHE  18           HE2      PHE  18  -8.034  10.799   1.360
  136    HZ   PHE  18           HZ       PHE  18  -5.841   9.729   1.671
  137    H    GLY  19           HN       GLY  19 -10.612   3.739  -1.340
  138   1HA   GLY  19          HA2       GLY  19 -13.231   4.457  -2.407
  139   2HA   GLY  19          HA1       GLY  19 -12.235   3.123  -2.949
  140    H    GLY  20           HN       GLY  20 -11.805   2.457   0.000
  141   1HA   GLY  20          HA2       GLY  20 -13.463   1.730   1.646
  142   2HA   GLY  20          HA1       GLY  20 -14.416   1.109   0.335
  143    H    GLY  21           HN       GLY  21 -10.950   0.875   1.091
  144   1HA   GLY  21          HA2       GLY  21 -11.256  -1.938   1.342
  145   2HA   GLY  21          HA1       GLY  21 -10.092  -1.305   0.209
  146    H    SER  22           HN       SER  22 -10.245  -2.670   3.058
  147    HA   SER  22           HA       SER  22  -8.730  -1.063   4.772
  148   1HB   SER  22          HB2       SER  22 -10.089  -3.177   5.330
  149   2HB   SER  22          HB1       SER  22  -8.675  -4.082   4.780
  150    HG   SER  22           HG       SER  22  -8.528  -3.759   6.993
  151    H    ARG  23           HN       ARG  23  -6.681  -3.173   5.354
  152    HA   ARG  23           HA       ARG  23  -4.732  -2.211   3.454
  153   1HB   ARG  23          HB2       ARG  23  -4.416  -3.765   6.012
  154   2HB   ARG  23          HB1       ARG  23  -3.080  -3.223   5.011
  155   1HG   ARG  23          HG2       ARG  23  -4.981  -1.612   6.663
  156   2HG   ARG  23          HG1       ARG  23  -3.217  -1.633   6.694
  157   1HD   ARG  23          HD2       ARG  23  -3.653   0.264   5.609
  158   2HD   ARG  23          HD1       ARG  23  -3.419  -0.759   4.261
  159    HE   ARG  23           HE       ARG  23  -5.657  -0.554   3.723
  160   1HH1  ARG  23          HH11      ARG  23  -5.047   0.861   6.820
  161   2HH1  ARG  23          HH12      ARG  23  -6.591   1.645   6.884
  162   1HH2  ARG  23          HH21      ARG  23  -7.685   0.398   3.808
  163   2HH2  ARG  23          HH22      ARG  23  -8.085   1.379   5.177
  164    H    GLN  24           HN       GLN  24  -6.131  -5.254   4.524
  165    HA   GLN  24           HA       GLN  24  -4.444  -6.923   2.978
  166   1HB   GLN  24          HB2       GLN  24  -6.822  -7.233   4.625
  167   2HB   GLN  24          HB1       GLN  24  -6.893  -8.245   3.187
  168   1HG   GLN  24          HG2       GLN  24  -4.413  -8.809   3.952
  169   2HG   GLN  24          HG1       GLN  24  -5.089  -8.378   5.524
  170   1HE2  GLN  24          HE21      GLN  24  -4.190 -10.903   5.094
  171   2HE2  GLN  24          HE22      GLN  24  -5.525 -12.005   5.017
  172    H    VAL  25           HN       VAL  25  -7.664  -5.583   2.405
  173    HA   VAL  25           HA       VAL  25  -8.034  -6.654  -0.076
  174    HB   VAL  25           HB       VAL  25  -9.117  -4.027   0.871
  175   1HG1  VAL  25          HG11      VAL  25  -9.742  -5.772  -1.369
  176   2HG1  VAL  25          HG12      VAL  25  -9.699  -4.012  -1.258
  177   3HG1  VAL  25          HG13      VAL  25 -11.061  -4.914  -0.591
  178   1HG2  VAL  25          HG21      VAL  25  -9.911  -6.847   1.417
  179   2HG2  VAL  25          HG22      VAL  25 -11.155  -5.608   1.320
  180   3HG2  VAL  25          HG23      VAL  25  -9.859  -5.462   2.502
  181    H    CYS  26           HN       CYS  26  -6.579  -3.646   0.959
  182    HA   CYS  26           HA       CYS  26  -6.091  -2.530  -1.509
  183   1HB   CYS  26          HB2       CYS  26  -5.409  -1.957   1.173
  184   2HB   CYS  26          HB1       CYS  26  -4.058  -1.641   0.122
  185    H    ALA  27           HN       ALA  27  -4.252  -4.628   0.562
  186    HA   ALA  27           HA       ALA  27  -1.844  -4.680  -0.806
  187   1HB   ALA  27          HB1       ALA  27  -2.434  -5.618   1.468
  188   2HB   ALA  27          HB2       ALA  27  -1.178  -6.386   0.503
  189   3HB   ALA  27          HB3       ALA  27  -2.794  -7.095   0.578
  190    H    SER  28           HN       SER  28  -4.786  -6.593  -1.103
  191    HA   SER  28           HA       SER  28  -3.675  -8.259  -3.156
  192   1HB   SER  28          HB2       SER  28  -5.657  -8.706  -1.425
  193   2HB   SER  28          HB1       SER  28  -6.622  -8.082  -2.761
  194    HG   SER  28           HG       SER  28  -5.708  -9.693  -4.083
  195    H    LEU  29           HN       LEU  29  -4.780  -5.119  -3.093
  196    HA   LEU  29           HA       LEU  29  -5.872  -5.188  -5.777
  197   1HB   LEU  29          HB2       LEU  29  -6.243  -3.518  -3.461
  198   2HB   LEU  29          HB1       LEU  29  -5.797  -2.542  -4.849
  199    HG   LEU  29           HG       LEU  29  -7.713  -4.105  -5.955
  200   1HD1  LEU  29          HD11      LEU  29  -9.588  -4.203  -4.364
  201   2HD1  LEU  29          HD12      LEU  29  -8.505  -3.704  -3.072
  202   3HD1  LEU  29          HD13      LEU  29  -8.248  -5.243  -3.894
  203   1HD2  LEU  29          HD21      LEU  29  -8.098  -1.935  -6.392
  204   2HD2  LEU  29          HD22      LEU  29  -7.600  -1.407  -4.787
  205   3HD2  LEU  29          HD23      LEU  29  -9.219  -2.055  -5.043
  206    H    SER  30           HN       SER  30  -3.120  -4.052  -3.945
  207    HA   SER  30           HA       SER  30  -1.911  -3.098  -6.462
  208   1HB   SER  30          HB2       SER  30  -0.951  -2.144  -3.792
  209   2HB   SER  30          HB1       SER  30  -0.867  -1.342  -5.363
  210    HG   SER  30           HG       SER  30  -3.367  -1.494  -5.020
  211    H    GLY  31           HN       GLY  31  -1.852  -5.628  -4.390
  212   1HA   GLY  31          HA2       GLY  31  -0.337  -7.271  -3.915
  213   2HA   GLY  31          HA1       GLY  31   0.401  -6.758  -5.384
  214    H    CYS  32           HN       CYS  32   0.074  -4.431  -2.848
  215    HA   CYS  32           HA       CYS  32   2.946  -4.392  -2.503
  216   1HB   CYS  32          HB2       CYS  32   0.872  -2.616  -1.225
  217   2HB   CYS  32          HB1       CYS  32   2.603  -2.335  -1.298
  218    H    LYS  33           HN       LYS  33   3.672  -3.877  -0.210
  219    HA   LYS  33           HA       LYS  33   2.751  -6.082   1.408
  220   1HB   LYS  33          HB2       LYS  33   5.289  -5.134   0.755
  221   2HB   LYS  33          HB1       LYS  33   5.043  -4.603   2.414
  222   1HG   LYS  33          HG2       LYS  33   5.879  -6.634   2.888
  223   2HG   LYS  33          HG1       LYS  33   4.207  -7.141   2.632
  224   1HD   LYS  33          HD2       LYS  33   6.258  -7.083   0.429
  225   2HD   LYS  33          HD1       LYS  33   5.969  -8.500   1.443
  226   1HE   LYS  33          HE2       LYS  33   3.474  -8.108   0.750
  227   2HE   LYS  33          HE1       LYS  33   4.203  -7.236  -0.514
  228   1HZ   LYS  33          HZ1       LYS  33   4.094  -9.321  -1.377
  229   2HZ   LYS  33          HZ2       LYS  33   4.294 -10.093   0.034
  230   3HZ   LYS  33          HZ3       LYS  33   5.631  -9.411  -0.675
  231    H    ILE  34           HN       ILE  34   2.231  -5.804   3.604
  232    HA   ILE  34           HA       ILE  34   1.056  -3.211   4.201
  233    HB   ILE  34           HB       ILE  34   0.955  -5.694   5.910
  234   1HG1  ILE  34          HG12      ILE  34   0.122  -6.287   3.713
  235   2HG1  ILE  34          HG11      ILE  34  -1.165  -6.124   4.833
  236   1HG2  ILE  34          HG21      ILE  34  -0.164  -3.026   6.009
  237   2HG2  ILE  34          HG22      ILE  34   0.094  -4.188   7.300
  238   3HG2  ILE  34          HG23      ILE  34  -1.293  -4.366   6.279
  239   1HD1  ILE  34          HD11      ILE  34  -2.116  -4.656   3.483
  240   2HD1  ILE  34          HD12      ILE  34  -0.781  -4.852   2.348
  241   3HD1  ILE  34          HD13      ILE  34  -0.708  -3.604   3.592
  242    H    ILE  35           HN       ILE  35   1.598  -1.917   5.919
  243    HA   ILE  35           HA       ILE  35   4.302  -2.139   6.873
  244    HB   ILE  35           HB       ILE  35   3.363   0.000   6.288
  245   1HG1  ILE  35          HG12      ILE  35   3.704   0.332   9.194
  246   2HG1  ILE  35          HG11      ILE  35   4.977  -0.549   8.410
  247   1HG2  ILE  35          HG21      ILE  35   1.762   0.983   8.007
  248   2HG2  ILE  35          HG22      ILE  35   1.420  -0.612   8.481
  249   3HG2  ILE  35          HG23      ILE  35   1.099  -0.094   6.830
  250   1HD1  ILE  35          HD11      ILE  35   5.535   1.755   8.536
  251   2HD1  ILE  35          HD12      ILE  35   4.084   2.149   7.616
  252   3HD1  ILE  35          HD13      ILE  35   5.379   1.219   6.863
  253    H    SER  36           HN       SER  36   5.000  -2.523   8.949
  254    HA   SER  36           HA       SER  36   2.966  -3.331  10.913
  255   1HB   SER  36          HB2       SER  36   4.420  -5.179   9.664
  256   2HB   SER  36          HB1       SER  36   5.594  -4.730  10.905
  257    HG   SER  36           HG       SER  36   3.229  -6.114  11.129
  258    H    ALA  37           HN       ALA  37   4.432  -0.829  10.579
  259    HA   ALA  37           HA       ALA  37   5.091  -0.338  13.257
  260   1HB   ALA  37          HB1       ALA  37   7.610  -0.102  11.732
  261   2HB   ALA  37          HB2       ALA  37   7.117  -1.705  12.195
  262   3HB   ALA  37          HB3       ALA  37   7.343  -0.496  13.426
  263    H    SER  38           HN       SER  38   6.930   1.690  12.975
  264    HA   SER  38           HA       SER  38   5.268   3.630  11.649
  265   1HB   SER  38          HB2       SER  38   7.733   3.990  13.355
  266   2HB   SER  38          HB1       SER  38   6.723   5.301  12.747
  267    HG   SER  38           HG       SER  38   6.198   3.424  14.746
  268    H    THR  39           HN       THR  39   7.375   1.657  10.400
  269    HA   THR  39           HA       THR  39   8.276   3.582   8.402
  270    HB   THR  39           HB       THR  39  10.185   1.544   9.510
  271    HG1  THR  39           HG1      THR  39  11.073   3.254  10.742
  272   1HG2  THR  39          HG21      THR  39  11.760   3.509   8.713
  273   2HG2  THR  39          HG22      THR  39  10.395   3.833   7.647
  274   3HG2  THR  39          HG23      THR  39  11.186   2.259   7.605
  275    H    CYS  40           HN       CYS  40   9.307   2.340   6.511
  276    HA   CYS  40           HA       CYS  40   7.628   0.042   5.948
  277   1HB   CYS  40          HB2       CYS  40   8.184   2.283   4.455
  278   2HB   CYS  40          HB1       CYS  40   9.235   1.069   3.734
  279    HA   PRO  41           HA       PRO  41  11.122  -2.591   6.290
  280   1HB   PRO  41          HB2       PRO  41  10.130  -4.744   4.973
  281   2HB   PRO  41          HB1       PRO  41   9.588  -4.282   6.595
  282   1HG   PRO  41          HG2       PRO  41   8.299  -3.750   3.943
  283   2HG   PRO  41          HG1       PRO  41   7.556  -4.280   5.463
  284   1HD   PRO  41          HD2       PRO  41   7.484  -1.708   4.618
  285   2HD   PRO  41          HD1       PRO  41   7.525  -2.150   6.334
  286    H    SER  42           HN       SER  42  12.031  -4.420   4.543
  287    HA   SER  42           HA       SER  42  13.166  -2.775   2.452
  288   1HB   SER  42          HB2       SER  42  14.355  -4.588   3.927
  289   2HB   SER  42          HB1       SER  42  13.712  -5.714   2.733
  290    HG   SER  42           HG       SER  42  15.427  -3.505   2.267
  291    H    ASP  43           HN       ASP  43  10.493  -3.039   2.019
  292    HA   ASP  43           HA       ASP  43  10.365  -4.841  -0.221
  293   1HB   ASP  43          HB2       ASP  43   8.113  -4.032   1.572
  294   2HB   ASP  43          HB1       ASP  43   7.919  -4.992   0.113
  295    H    TYR  44           HN       TYR  44  11.427  -2.484  -0.717
  296    HA   TYR  44           HA       TYR  44  11.263  -0.535  -1.863
  297   1HB   TYR  44          HB2       TYR  44   9.072  -0.760  -3.523
  298   2HB   TYR  44          HB1       TYR  44  10.687  -1.352  -3.874
  299    HD1  TYR  44           HD1      TYR  44   7.264  -2.247  -3.322
  300    HD2  TYR  44           HD2      TYR  44  11.233  -3.773  -3.316
  301    HE1  TYR  44           HE1      TYR  44   6.376  -4.533  -3.501
  302    HE2  TYR  44           HE2      TYR  44  10.354  -6.060  -3.494
  303    HH   TYR  44           HH       TYR  44   8.252  -7.172  -4.331
  304    HA   PRO  45           HA       PRO  45   8.076   1.377   0.635
  305   1HB   PRO  45          HB2       PRO  45   9.523   3.548   1.293
  306   2HB   PRO  45          HB1       PRO  45   9.776   1.983   2.076
  307   1HG   PRO  45          HG2       PRO  45  11.340   3.274  -0.062
  308   2HG   PRO  45          HG1       PRO  45  11.930   2.406   1.303
  309   1HD   PRO  45          HD2       PRO  45  11.739   1.279  -1.108
  310   2HD   PRO  45          HD1       PRO  45  11.643   0.360   0.323
  311    H    LYS  46           HN       LYS  46   7.546   1.443  -1.901
  312    HA   LYS  46           HA       LYS  46   7.413   4.291  -2.591
  313   1HB   LYS  46          HB2       LYS  46   8.112   1.949  -4.154
  314   2HB   LYS  46          HB1       LYS  46   6.830   2.879  -4.905
  315   1HG   LYS  46          HG2       LYS  46   9.148   4.408  -3.912
  316   2HG   LYS  46          HG1       LYS  46   9.417   3.364  -5.309
  317   1HD   LYS  46          HD2       LYS  46   6.976   4.732  -5.736
  318   2HD   LYS  46          HD1       LYS  46   8.162   5.923  -5.202
  319   1HE   LYS  46          HE2       LYS  46   9.633   4.501  -6.974
  320   2HE   LYS  46          HE1       LYS  46   8.030   4.357  -7.690
  321   1HZ   LYS  46          HZ1       LYS  46   9.545   6.362  -8.284
  322   2HZ   LYS  46          HZ2       LYS  46   8.972   6.996  -6.823
  323   3HZ   LYS  46          HZ3       LYS  46   7.886   6.600  -8.055
  Start of MODEL    9
    1   1H    LYS   1          HT1       LYS   1   1.317   3.103   5.672
    2   2H    LYS   1          HT2       LYS   1   2.433   4.127   6.476
    3   3H    LYS   1          HT3       LYS   1   2.061   2.586   7.127
    4    HA   LYS   1           HA       LYS   1   3.616   3.266   4.745
    5   1HB   LYS   1          HB2       LYS   1   4.639   3.107   7.040
    6   2HB   LYS   1          HB1       LYS   1   4.145   1.426   7.080
    7   1HG   LYS   1          HG2       LYS   1   6.401   1.392   6.451
    8   2HG   LYS   1          HG1       LYS   1   5.494   1.126   4.955
    9   1HD   LYS   1          HD2       LYS   1   7.301   2.709   4.587
   10   2HD   LYS   1          HD1       LYS   1   5.734   3.507   4.407
   11   1HE   LYS   1          HE2       LYS   1   5.924   4.549   6.528
   12   2HE   LYS   1          HE1       LYS   1   7.304   3.549   6.973
   13   1HZ   LYS   1          HZ1       LYS   1   8.429   5.382   6.334
   14   2HZ   LYS   1          HZ2       LYS   1   7.201   5.934   5.314
   15   3HZ   LYS   1          HZ3       LYS   1   8.248   4.719   4.785
   16    H    SER   2           HN       SER   2   4.283   1.505   3.401
   17    HA   SER   2           HA       SER   2   3.238  -1.017   3.575
   18   1HB   SER   2          HB2       SER   2   1.268   0.658   2.804
   19   2HB   SER   2          HB1       SER   2   1.890   0.131   1.250
   20    HG   SER   2           HG       SER   2   1.523  -1.942   1.907
   21    H    CYS   3           HN       CYS   3   4.654  -2.215   2.512
   22    HA   CYS   3           HA       CYS   3   6.641  -1.124   0.848
   23   1HB   CYS   3          HB2       CYS   3   5.961  -3.723   1.927
   24   2HB   CYS   3          HB1       CYS   3   6.516  -3.860   0.276
   25    H    CYS   4           HN       CYS   4   5.549  -0.019  -0.707
   26    HA   CYS   4           HA       CYS   4   4.165  -1.608  -2.714
   27   1HB   CYS   4          HB2       CYS   4   4.080   1.268  -2.139
   28   2HB   CYS   4          HB1       CYS   4   3.420   0.581  -3.613
   29    HA   PRO   5           HA       PRO   5   7.544  -1.410  -5.537
   30   1HB   PRO   5          HB2       PRO   5   6.106  -0.952  -7.875
   31   2HB   PRO   5          HB1       PRO   5   6.438  -2.531  -7.170
   32   1HG   PRO   5          HG2       PRO   5   3.986  -0.839  -6.960
   33   2HG   PRO   5          HG1       PRO   5   4.127  -2.598  -7.106
   34   1HD   PRO   5          HD2       PRO   5   3.563  -1.453  -4.761
   35   2HD   PRO   5          HD1       PRO   5   4.621  -2.877  -4.850
   36    H    ASN   6           HN       ASN   6   5.129   0.777  -6.873
   37    HA   ASN   6           HA       ASN   6   7.044   2.946  -6.469
   38   1HB   ASN   6          HB2       ASN   6   6.787   3.760  -8.724
   39   2HB   ASN   6          HB1       ASN   6   7.291   2.069  -8.791
   40   1HD2  ASN   6          HD21      ASN   6   5.358   0.518  -8.832
   41   2HD2  ASN   6          HD22      ASN   6   4.098   0.923  -9.938
   42    H    THR   7           HN       THR   7   5.946   5.104  -7.176
   43    HA   THR   7           HA       THR   7   3.907   5.675  -5.421
   44    HB   THR   7           HB       THR   7   4.273   7.181  -8.001
   45    HG1  THR   7           HG1      THR   7   5.943   7.102  -5.727
   46   1HG2  THR   7          HG21      THR   7   4.097   9.107  -6.272
   47   2HG2  THR   7          HG22      THR   7   3.313   7.885  -5.274
   48   3HG2  THR   7          HG23      THR   7   2.639   8.295  -6.848
   49    H    THR   8           HN       THR   8   3.671   4.258  -8.553
   50    HA   THR   8           HA       THR   8   1.029   4.920  -9.219
   51    HB   THR   8           HB       THR   8   2.656   2.456  -9.881
   52    HG1  THR   8           HG1      THR   8   2.900   3.553 -11.873
   53   1HG2  THR   8          HG21      THR   8   1.150   2.006 -11.680
   54   2HG2  THR   8          HG22      THR   8   0.164   3.402 -11.268
   55   3HG2  THR   8          HG23      THR   8   0.246   2.018 -10.171
   56    H    GLY   9           HN       GLY   9   2.377   2.335  -7.238
   57   1HA   GLY   9          HA2       GLY   9   0.044   0.864  -6.802
   58   2HA   GLY   9          HA1       GLY   9   1.400   0.953  -5.692
   59    H    ARG  10           HN       ARG  10   1.301   3.730  -5.196
   60    HA   ARG  10           HA       ARG  10  -0.412   3.830  -3.056
   61   1HB   ARG  10          HB2       ARG  10   1.542   5.285  -3.385
   62   2HB   ARG  10          HB1       ARG  10   0.608   6.226  -4.534
   63   1HG   ARG  10          HG2       ARG  10   0.257   7.488  -2.717
   64   2HG   ARG  10          HG1       ARG  10  -0.983   6.295  -2.447
   65   1HD   ARG  10          HD2       ARG  10   0.208   6.623  -0.399
   66   2HD   ARG  10          HD1       ARG  10   0.527   5.008  -1.020
   67    HE   ARG  10           HE       ARG  10   2.685   5.602  -1.170
   68   1HH1  ARG  10          HH11      ARG  10   0.804   8.521  -1.106
   69   2HH1  ARG  10          HH12      ARG  10   2.150   9.569  -1.058
   70   1HH2  ARG  10          HH21      ARG  10   4.498   6.985  -1.105
   71   2HH2  ARG  10          HH22      ARG  10   4.258   8.701  -1.054
   72    H    ASN  11           HN       ASN  11  -0.783   4.509  -6.424
   73    HA   ASN  11           HA       ASN  11  -3.121   6.103  -6.284
   74   1HB   ASN  11          HB2       ASN  11  -1.440   5.435  -8.295
   75   2HB   ASN  11          HB1       ASN  11  -2.772   4.327  -8.632
   76   1HD2  ASN  11          HD21      ASN  11  -1.792   7.663  -8.389
   77   2HD2  ASN  11          HD22      ASN  11  -3.152   8.325  -9.231
   78    H    ILE  12           HN       ILE  12  -2.629   2.656  -6.970
   79    HA   ILE  12           HA       ILE  12  -5.341   1.933  -7.036
   80    HB   ILE  12           HB       ILE  12  -3.042   0.234  -6.121
   81   1HG1  ILE  12          HG12      ILE  12  -3.974   0.065  -8.917
   82   2HG1  ILE  12          HG11      ILE  12  -3.136   1.507  -8.518
   83   1HG2  ILE  12          HG21      ILE  12  -4.415  -1.494  -6.259
   84   2HG2  ILE  12          HG22      ILE  12  -5.249  -0.866  -7.679
   85   3HG2  ILE  12          HG23      ILE  12  -5.693  -0.293  -6.076
   86   1HD1  ILE  12          HD11      ILE  12  -1.643  -0.556  -7.425
   87   2HD1  ILE  12          HD12      ILE  12  -1.200   0.508  -8.728
   88   3HD1  ILE  12          HD13      ILE  12  -2.048  -0.954  -9.096
   89    H    TYR  13           HN       TYR  13  -2.970   1.960  -4.408
   90    HA   TYR  13           HA       TYR  13  -4.539   0.869  -2.379
   91   1HB   TYR  13          HB2       TYR  13  -2.001   1.950  -2.578
   92   2HB   TYR  13          HB1       TYR  13  -2.814   3.069  -1.498
   93    HD1  TYR  13           HD1      TYR  13  -3.945   2.126   0.531
   94    HD2  TYR  13           HD2      TYR  13  -1.216  -0.052  -1.787
   95    HE1  TYR  13           HE1      TYR  13  -3.596   0.595   2.377
   96    HE2  TYR  13           HE2      TYR  13  -0.856  -1.595   0.061
   97    HH   TYR  13           HH       TYR  13  -1.190  -1.191   2.812
   98    H    ASN  14           HN       ASN  14  -4.278   4.145  -3.612
   99    HA   ASN  14           HA       ASN  14  -5.946   5.345  -1.656
  100   1HB   ASN  14          HB2       ASN  14  -4.465   6.189  -3.972
  101   2HB   ASN  14          HB1       ASN  14  -6.078   6.886  -4.016
  102   1HD2  ASN  14          HD21      ASN  14  -2.988   7.059  -2.670
  103   2HD2  ASN  14          HD22      ASN  14  -3.295   8.295  -1.510
  104    H    THR  15           HN       THR  15  -6.535   4.298  -5.023
  105    HA   THR  15           HA       THR  15  -9.229   5.004  -5.168
  106    HB   THR  15           HB       THR  15  -8.537   2.469  -6.484
  107    HG1  THR  15           HG1      THR  15  -6.960   3.321  -7.777
  108   1HG2  THR  15          HG21      THR  15  -8.974   4.236  -8.468
  109   2HG2  THR  15          HG22      THR  15  -9.881   4.985  -7.155
  110   3HG2  THR  15          HG23      THR  15 -10.242   3.332  -7.645
  111    H    CYS  16           HN       CYS  16  -7.654   2.261  -3.728
  112    HA   CYS  16           HA       CYS  16 -10.032   0.802  -3.224
  113   1HB   CYS  16          HB2       CYS  16  -8.353  -0.647  -3.178
  114   2HB   CYS  16          HB1       CYS  16  -7.155   0.505  -2.764
  115    H    ARG  17           HN       ARG  17  -7.754   2.472  -1.093
  116    HA   ARG  17           HA       ARG  17  -9.163   2.279   1.184
  117   1HB   ARG  17          HB2       ARG  17  -7.052   3.941   0.182
  118   2HB   ARG  17          HB1       ARG  17  -8.043   4.819   1.274
  119   1HG   ARG  17          HG2       ARG  17  -7.365   2.170   2.230
  120   2HG   ARG  17          HG1       ARG  17  -5.938   3.130   1.863
  121   1HD   ARG  17          HD2       ARG  17  -8.076   4.517   3.348
  122   2HD   ARG  17          HD1       ARG  17  -7.242   3.232   4.216
  123    HE   ARG  17           HE       ARG  17  -5.321   4.860   3.012
  124   1HH1  ARG  17          HH11      ARG  17  -7.726   5.034   5.532
  125   2HH1  ARG  17          HH12      ARG  17  -6.861   6.221   6.448
  126   1HH2  ARG  17          HH21      ARG  17  -4.183   6.425   4.217
  127   2HH2  ARG  17          HH22      ARG  17  -4.851   7.015   5.705
  128    H    PHE  18           HN       PHE  18  -9.367   4.900  -1.114
  129    HA   PHE  18           HA       PHE  18 -11.557   6.134   0.231
  130   1HB   PHE  18          HB2       PHE  18 -10.245   6.683  -2.406
  131   2HB   PHE  18          HB1       PHE  18 -11.589   7.628  -1.779
  132    HD1  PHE  18           HD1      PHE  18  -8.195   6.460  -0.779
  133    HD2  PHE  18           HD2      PHE  18 -11.140   9.520  -0.551
  134    HE1  PHE  18           HE1      PHE  18  -6.617   7.872   0.430
  135    HE2  PHE  18           HE2      PHE  18  -9.565  10.942   0.665
  136    HZ   PHE  18           HZ       PHE  18  -7.292  10.119   1.155
  137    H    GLY  19           HN       GLY  19 -11.255   3.502  -1.793
  138   1HA   GLY  19          HA2       GLY  19 -13.857   3.895  -3.031
  139   2HA   GLY  19          HA1       GLY  19 -12.703   2.637  -3.444
  140    H    GLY  20           HN       GLY  20 -12.387   2.191  -0.425
  141   1HA   GLY  20          HA2       GLY  20 -14.019   1.381   1.170
  142   2HA   GLY  20          HA1       GLY  20 -14.871   0.671  -0.092
  143    H    GLY  21           HN       GLY  21 -11.443   0.703   0.813
  144   1HA   GLY  21          HA2       GLY  21 -11.538  -2.125   1.076
  145   2HA   GLY  21          HA1       GLY  21 -10.360  -1.421   0.044
  146    H    SER  22           HN       SER  22 -10.599  -2.730   2.882
  147    HA   SER  22           HA       SER  22  -9.307  -0.982   4.642
  148   1HB   SER  22          HB2       SER  22 -10.497  -3.384   4.932
  149   2HB   SER  22          HB1       SER  22  -8.817  -3.900   4.918
  150    HG   SER  22           HG       SER  22  -8.555  -2.134   6.554
  151    H    ARG  23           HN       ARG  23  -7.155  -2.938   5.386
  152    HA   ARG  23           HA       ARG  23  -5.162  -1.872   3.596
  153   1HB   ARG  23          HB2       ARG  23  -4.905  -3.374   6.195
  154   2HB   ARG  23          HB1       ARG  23  -3.542  -2.755   5.266
  155   1HG   ARG  23          HG2       ARG  23  -5.649  -1.260   6.780
  156   2HG   ARG  23          HG1       ARG  23  -3.888  -1.159   6.913
  157   1HD   ARG  23          HD2       ARG  23  -4.402   0.692   5.765
  158   2HD   ARG  23          HD1       ARG  23  -4.014  -0.361   4.454
  159    HE   ARG  23           HE       ARG  23  -6.224  -0.288   3.785
  160   1HH1  ARG  23          HH11      ARG  23  -5.900   1.214   6.889
  161   2HH1  ARG  23          HH12      ARG  23  -7.489   1.896   6.844
  162   1HH2  ARG  23          HH21      ARG  23  -8.314   0.532   3.736
  163   2HH2  ARG  23          HH22      ARG  23  -8.862   1.506   5.057
  164    H    GLN  24           HN       GLN  24  -6.479  -4.973   4.574
  165    HA   GLN  24           HA       GLN  24  -4.573  -6.556   3.194
  166   1HB   GLN  24          HB2       GLN  24  -7.034  -6.995   4.672
  167   2HB   GLN  24          HB1       GLN  24  -6.940  -8.022   3.255
  168   1HG   GLN  24          HG2       GLN  24  -4.480  -8.420   4.199
  169   2HG   GLN  24          HG1       GLN  24  -5.291  -8.016   5.718
  170   1HE2  GLN  24          HE21      GLN  24  -4.624 -10.282   6.156
  171   2HE2  GLN  24          HE22      GLN  24  -5.715 -11.540   5.715
  172    H    VAL  25           HN       VAL  25  -7.827  -5.437   2.385
  173    HA   VAL  25           HA       VAL  25  -7.959  -6.549  -0.082
  174    HB   VAL  25           HB       VAL  25  -9.271  -3.983   0.737
  175   1HG1  VAL  25          HG11      VAL  25  -9.758  -5.874  -1.453
  176   2HG1  VAL  25          HG12      VAL  25  -9.590  -4.119  -1.482
  177   3HG1  VAL  25          HG13      VAL  25 -11.054  -4.855  -0.822
  178   1HG2  VAL  25          HG21      VAL  25 -11.231  -5.717   1.055
  179   2HG2  VAL  25          HG22      VAL  25 -10.057  -5.422   2.337
  180   3HG2  VAL  25          HG23      VAL  25  -9.886  -6.839   1.303
  181    H    CYS  26           HN       CYS  26  -6.777  -3.444   0.984
  182    HA   CYS  26           HA       CYS  26  -6.191  -2.329  -1.458
  183   1HB   CYS  26          HB2       CYS  26  -5.727  -1.678   1.255
  184   2HB   CYS  26          HB1       CYS  26  -4.335  -1.282   0.279
  185    H    ALA  27           HN       ALA  27  -4.374  -4.276   0.758
  186    HA   ALA  27           HA       ALA  27  -1.870  -4.200  -0.435
  187   1HB   ALA  27          HB1       ALA  27  -2.105  -6.740   0.651
  188   2HB   ALA  27          HB2       ALA  27  -3.078  -5.653   1.644
  189   3HB   ALA  27          HB3       ALA  27  -1.381  -5.296   1.350
  190    H    SER  28           HN       SER  28  -4.661  -6.289  -0.922
  191    HA   SER  28           HA       SER  28  -3.326  -7.913  -2.856
  192   1HB   SER  28          HB2       SER  28  -5.424  -8.437  -1.305
  193   2HB   SER  28          HB1       SER  28  -6.307  -7.820  -2.700
  194    HG   SER  28           HG       SER  28  -5.984 -10.086  -2.821
  195    H    LEU  29           HN       LEU  29  -4.647  -4.834  -2.920
  196    HA   LEU  29           HA       LEU  29  -5.485  -4.964  -5.684
  197   1HB   LEU  29          HB2       LEU  29  -6.040  -3.260  -3.429
  198   2HB   LEU  29          HB1       LEU  29  -5.520  -2.292  -4.802
  199    HG   LEU  29           HG       LEU  29  -7.920  -2.441  -4.815
  200   1HD1  LEU  29          HD11      LEU  29  -7.222  -4.395  -6.948
  201   2HD1  LEU  29          HD12      LEU  29  -6.437  -2.813  -6.959
  202   3HD1  LEU  29          HD13      LEU  29  -8.198  -2.924  -7.026
  203   1HD2  LEU  29          HD21      LEU  29  -8.137  -4.485  -3.479
  204   2HD2  LEU  29          HD22      LEU  29  -7.579  -5.437  -4.851
  205   3HD2  LEU  29          HD23      LEU  29  -9.101  -4.563  -4.954
  206    H    SER  30           HN       SER  30  -2.886  -3.734  -3.689
  207    HA   SER  30           HA       SER  30  -1.573  -2.662  -6.098
  208   1HB   SER  30          HB2       SER  30  -0.108  -1.447  -4.421
  209   2HB   SER  30          HB1       SER  30  -1.789  -0.928  -4.486
  210    HG   SER  30           HG       SER  30  -0.901  -2.878  -2.645
  211    H    GLY  31           HN       GLY  31  -1.476  -5.201  -3.842
  212   1HA   GLY  31          HA2       GLY  31  -0.115  -7.015  -3.700
  213   2HA   GLY  31          HA1       GLY  31   0.710  -6.379  -5.092
  214    H    CYS  32           HN       CYS  32   0.323  -4.338  -2.323
  215    HA   CYS  32           HA       CYS  32   3.184  -4.267  -1.942
  216   1HB   CYS  32          HB2       CYS  32   1.093  -2.814  -0.336
  217   2HB   CYS  32          HB1       CYS  32   2.792  -2.409  -0.501
  218    H    LYS  33           HN       LYS  33   3.948  -4.122   0.310
  219    HA   LYS  33           HA       LYS  33   2.938  -6.492   1.723
  220   1HB   LYS  33          HB2       LYS  33   5.530  -5.775   0.940
  221   2HB   LYS  33          HB1       LYS  33   5.496  -5.508   2.678
  222   1HG   LYS  33          HG2       LYS  33   6.210  -7.704   2.483
  223   2HG   LYS  33          HG1       LYS  33   4.482  -7.865   2.828
  224   1HD   LYS  33          HD2       LYS  33   4.891  -9.364   1.067
  225   2HD   LYS  33          HD1       LYS  33   4.159  -7.951   0.304
  226   1HE   LYS  33          HE2       LYS  33   6.232  -7.212  -0.498
  227   2HE   LYS  33          HE1       LYS  33   7.133  -8.304   0.508
  228   1HZ   LYS  33          HZ1       LYS  33   6.680 -10.097  -0.774
  229   2HZ   LYS  33          HZ2       LYS  33   6.774  -8.880  -1.910
  230   3HZ   LYS  33          HZ3       LYS  33   5.268  -9.435  -1.380
  231    H    ILE  34           HN       ILE  34   1.519  -5.889   3.235
  232    HA   ILE  34           HA       ILE  34   1.416  -3.393   4.496
  233    HB   ILE  34           HB       ILE  34   0.358  -5.991   5.609
  234   1HG1  ILE  34          HG12      ILE  34  -0.375  -5.757   3.340
  235   2HG1  ILE  34          HG11      ILE  34  -1.675  -5.359   4.449
  236   1HG2  ILE  34          HG21      ILE  34   0.074  -3.143   6.296
  237   2HG2  ILE  34          HG22      ILE  34   0.033  -4.576   7.317
  238   3HG2  ILE  34          HG23      ILE  34  -1.355  -4.153   6.332
  239   1HD1  ILE  34          HD11      ILE  34   0.015  -3.427   2.893
  240   2HD1  ILE  34          HD12      ILE  34  -1.174  -2.963   4.099
  241   3HD1  ILE  34          HD13      ILE  34  -1.674  -3.800   2.632
  242    H    ILE  35           HN       ILE  35   2.777  -2.526   5.895
  243    HA   ILE  35           HA       ILE  35   4.305  -4.311   7.676
  244    HB   ILE  35           HB       ILE  35   5.686  -3.008   6.098
  245   1HG1  ILE  35          HG12      ILE  35   6.808  -1.675   8.233
  246   2HG1  ILE  35          HG11      ILE  35   5.901  -2.945   9.015
  247   1HG2  ILE  35          HG21      ILE  35   5.549  -0.814   5.797
  248   2HG2  ILE  35          HG22      ILE  35   5.241  -0.505   7.505
  249   3HG2  ILE  35          HG23      ILE  35   3.923  -1.023   6.455
  250   1HD1  ILE  35          HD11      ILE  35   7.913  -3.352   6.816
  251   2HD1  ILE  35          HD12      ILE  35   7.095  -4.595   7.761
  252   3HD1  ILE  35          HD13      ILE  35   8.246  -3.517   8.538
  253    H    SER  36           HN       SER  36   4.368  -3.902   9.856
  254    HA   SER  36           HA       SER  36   2.362  -2.025  10.853
  255   1HB   SER  36          HB2       SER  36   3.769  -3.922  12.676
  256   2HB   SER  36          HB1       SER  36   2.088  -3.403  12.674
  257    HG   SER  36           HG       SER  36   1.701  -5.197  11.668
  258    H    ALA  37           HN       ALA  37   4.888  -1.076   9.904
  259    HA   ALA  37           HA       ALA  37   5.593   0.510  12.134
  260   1HB   ALA  37          HB1       ALA  37   8.007  -0.819  11.147
  261   2HB   ALA  37          HB2       ALA  37   6.935  -1.783  12.151
  262   3HB   ALA  37          HB3       ALA  37   7.597  -0.291  12.772
  263    H    SER  38           HN       SER  38   7.856   1.676  11.404
  264    HA   SER  38           HA       SER  38   7.176   2.840   8.837
  265   1HB   SER  38          HB2       SER  38   9.362   3.912  10.582
  266   2HB   SER  38          HB1       SER  38   8.245   4.779   9.532
  267    HG   SER  38           HG       SER  38   7.687   3.587  12.045
  268    H    THR  39           HN       THR  39   8.560   0.237   9.103
  269    HA   THR  39           HA       THR  39  10.888   0.884   7.440
  270    HB   THR  39           HB       THR  39  10.935  -1.389   9.352
  271    HG1  THR  39           HG1      THR  39  11.559  -0.168  10.951
  272   1HG2  THR  39          HG21      THR  39  12.756  -1.669   8.033
  273   2HG2  THR  39          HG22      THR  39  13.443  -0.622   9.262
  274   3HG2  THR  39          HG23      THR  39  12.929   0.020   7.705
  275    H    CYS  40           HN       CYS  40  11.669  -1.099   6.252
  276    HA   CYS  40           HA       CYS  40   9.884  -3.207   5.811
  277   1HB   CYS  40          HB2       CYS  40   8.985  -0.976   4.591
  278   2HB   CYS  40          HB1       CYS  40  10.001  -1.624   3.321
  279    HA   PRO  41           HA       PRO  41  13.735  -4.886   4.385
  280   1HB   PRO  41          HB2       PRO  41  12.673  -6.903   2.798
  281   2HB   PRO  41          HB1       PRO  41  12.940  -7.015   4.540
  282   1HG   PRO  41          HG2       PRO  41  10.438  -6.401   3.038
  283   2HG   PRO  41          HG1       PRO  41  10.655  -7.389   4.492
  284   1HD   PRO  41          HD2       PRO  41   9.671  -4.914   4.636
  285   2HD   PRO  41          HD1       PRO  41  10.763  -5.545   5.888
  286    H    SER  42           HN       SER  42  14.158  -6.111   1.940
  287    HA   SER  42           HA       SER  42  14.307  -3.817   0.212
  288   1HB   SER  42          HB2       SER  42  16.023  -5.838   0.610
  289   2HB   SER  42          HB1       SER  42  15.137  -6.496  -0.731
  290    HG   SER  42           HG       SER  42  16.724  -4.184  -0.564
  291    H    ASP  43           HN       ASP  43  11.679  -4.477   0.603
  292    HA   ASP  43           HA       ASP  43  10.843  -5.818  -1.766
  293   1HB   ASP  43          HB2       ASP  43   9.569  -5.433   0.818
  294   2HB   ASP  43          HB1       ASP  43   8.528  -5.593  -0.546
  295    H    TYR  44           HN       TYR  44  11.878  -3.328  -2.120
  296    HA   TYR  44           HA       TYR  44  11.477  -1.213  -2.883
  297   1HB   TYR  44          HB2       TYR  44   9.169  -1.184  -4.256
  298   2HB   TYR  44          HB1       TYR  44  10.637  -1.942  -4.872
  299    HD1  TYR  44           HD1      TYR  44  10.882  -4.423  -4.733
  300    HD2  TYR  44           HD2      TYR  44   7.230  -2.467  -3.761
  301    HE1  TYR  44           HE1      TYR  44   9.685  -6.560  -4.956
  302    HE2  TYR  44           HE2      TYR  44   6.027  -4.596  -3.985
  303    HH   TYR  44           HH       TYR  44   7.040  -7.134  -5.544
  304    HA   PRO  45           HA       PRO  45   8.545  -0.105   0.408
  305   1HB   PRO  45          HB2       PRO  45  10.224   1.436   1.795
  306   2HB   PRO  45          HB1       PRO  45  10.241  -0.293   1.959
  307   1HG   PRO  45          HG2       PRO  45  12.061   1.446   0.384
  308   2HG   PRO  45          HG1       PRO  45  12.463   0.058   1.389
  309   1HD   PRO  45          HD2       PRO  45  12.245  -0.040  -1.258
  310   2HD   PRO  45          HD1       PRO  45  11.972  -1.367  -0.233
  311    H    LYS  46           HN       LYS  46   7.875   0.954  -1.743
  312    HA   LYS  46           HA       LYS  46   8.676   3.462  -2.512
  313   1HB   LYS  46          HB2       LYS  46   7.095   2.438  -3.892
  314   2HB   LYS  46          HB1       LYS  46   6.003   2.127  -2.553
  315   1HG   LYS  46          HG2       LYS  46   6.530   4.963  -3.100
  316   2HG   LYS  46          HG1       LYS  46   5.678   4.089  -4.373
  317   1HD   LYS  46          HD2       LYS  46   4.769   3.746  -1.562
  318   2HD   LYS  46          HD1       LYS  46   4.365   5.244  -2.408
  319   1HE   LYS  46          HE2       LYS  46   3.073   4.157  -3.985
  320   2HE   LYS  46          HE1       LYS  46   3.863   2.601  -3.708
  321   1HZ   LYS  46          HZ1       LYS  46   2.795   2.616  -1.467
  322   2HZ   LYS  46          HZ2       LYS  46   1.710   2.481  -2.758
  323   3HZ   LYS  46          HZ3       LYS  46   1.892   3.963  -1.952
  Start of MODEL   10
    1   1H    LYS   1          HT1       LYS   1  -0.086   3.284   6.772
    2   2H    LYS   1          HT2       LYS   1   0.913   4.464   7.408
    3   3H    LYS   1          HT3       LYS   1   1.209   2.802   7.686
    4    HA   LYS   1           HA       LYS   1   1.150   4.039   5.024
    5   1HB   LYS   1          HB2       LYS   1   3.611   4.003   5.155
    6   2HB   LYS   1          HB1       LYS   1   2.912   5.049   6.383
    7   1HG   LYS   1          HG2       LYS   1   3.227   2.393   7.419
    8   2HG   LYS   1          HG1       LYS   1   4.749   2.970   6.747
    9   1HD   LYS   1          HD2       LYS   1   3.055   4.427   8.773
   10   2HD   LYS   1          HD1       LYS   1   4.541   3.545   9.117
   11   1HE   LYS   1          HE2       LYS   1   5.652   5.088   7.427
   12   2HE   LYS   1          HE1       LYS   1   4.192   6.069   7.526
   13   1HZ   LYS   1          HZ1       LYS   1   6.232   6.536   9.069
   14   2HZ   LYS   1          HZ2       LYS   1   5.549   5.310  10.016
   15   3HZ   LYS   1          HZ3       LYS   1   4.653   6.700   9.656
   16    H    SER   2           HN       SER   2   2.721   2.638   3.639
   17    HA   SER   2           HA       SER   2   2.847  -0.075   4.298
   18   1HB   SER   2          HB2       SER   2   0.681   0.910   2.552
   19   2HB   SER   2          HB1       SER   2   1.505  -0.476   2.008
   20    HG   SER   2           HG       SER   2  -0.250  -0.178   3.963
   21    H    CYS   3           HN       CYS   3   4.189  -1.234   2.913
   22    HA   CYS   3           HA       CYS   3   6.000   0.324   1.357
   23   1HB   CYS   3          HB2       CYS   3   6.092  -2.172   2.677
   24   2HB   CYS   3          HB1       CYS   3   6.702  -2.299   1.033
   25    H    CYS   4           HN       CYS   4   5.232   0.924  -0.500
   26    HA   CYS   4           HA       CYS   4   3.935  -1.017  -2.193
   27   1HB   CYS   4          HB2       CYS   4   3.846   1.900  -2.119
   28   2HB   CYS   4          HB1       CYS   4   3.429   1.045  -3.603
   29    HA   PRO   5           HA       PRO   5   7.331  -1.254  -4.979
   30   1HB   PRO   5          HB2       PRO   5   6.104  -1.369  -7.405
   31   2HB   PRO   5          HB1       PRO   5   6.114  -2.715  -6.256
   32   1HG   PRO   5          HG2       PRO   5   3.972  -0.691  -6.783
   33   2HG   PRO   5          HG1       PRO   5   3.820  -2.438  -6.532
   34   1HD   PRO   5          HD2       PRO   5   3.295  -0.645  -4.583
   35   2HD   PRO   5          HD1       PRO   5   3.971  -2.247  -4.240
   36    H    ASN   6           HN       ASN   6   4.839   0.914  -6.219
   37    HA   ASN   6           HA       ASN   6   6.759   3.044  -6.386
   38   1HB   ASN   6          HB2       ASN   6   6.644   3.410  -8.775
   39   2HB   ASN   6          HB1       ASN   6   7.221   1.777  -8.469
   40   1HD2  ASN   6          HD21      ASN   6   5.371   0.165  -8.352
   41   2HD2  ASN   6          HD22      ASN   6   4.183   0.247  -9.605
   42    H    THR   7           HN       THR   7   5.694   5.023  -7.488
   43    HA   THR   7           HA       THR   7   3.511   5.834  -6.056
   44    HB   THR   7           HB       THR   7   3.782   6.915  -8.811
   45    HG1  THR   7           HG1      THR   7   5.855   7.037  -8.609
   46   1HG2  THR   7          HG21      THR   7   2.347   8.088  -7.272
   47   2HG2  THR   7          HG22      THR   7   3.765   9.062  -7.649
   48   3HG2  THR   7          HG23      THR   7   3.670   8.210  -6.107
   49    H    THR   8           HN       THR   8   3.543   3.897  -8.914
   50    HA   THR   8           HA       THR   8   0.900   4.315  -9.781
   51    HB   THR   8           HB       THR   8   2.627   1.850 -10.063
   52    HG1  THR   8           HG1      THR   8   3.482   2.806 -11.755
   53   1HG2  THR   8          HG21      THR   8   0.256   1.399 -10.552
   54   2HG2  THR   8          HG22      THR   8   1.296   1.261 -11.967
   55   3HG2  THR   8          HG23      THR   8   0.286   2.690 -11.760
   56    H    GLY   9           HN       GLY   9   2.316   1.964  -7.553
   57   1HA   GLY   9          HA2       GLY   9   0.032   0.451  -7.034
   58   2HA   GLY   9          HA1       GLY   9   1.360   0.674  -5.917
   59    H    ARG  10           HN       ARG  10   1.183   3.448  -5.555
   60    HA   ARG  10           HA       ARG  10  -0.593   3.626  -3.481
   61   1HB   ARG  10          HB2       ARG  10   1.263   5.116  -3.667
   62   2HB   ARG  10          HB1       ARG  10   0.565   5.860  -5.098
   63   1HG   ARG  10          HG2       ARG  10   0.087   7.377  -3.448
   64   2HG   ARG  10          HG1       ARG  10  -1.348   6.405  -3.542
   65   1HD   ARG  10          HD2       ARG  10  -0.651   6.824  -1.224
   66   2HD   ARG  10          HD1       ARG  10  -0.645   5.105  -1.619
   67    HE   ARG  10           HE       ARG  10   1.544   5.074  -1.301
   68   1HH1  ARG  10          HH11      ARG  10   0.480   8.387  -1.521
   69   2HH1  ARG  10          HH12      ARG  10   2.011   9.040  -1.054
   70   1HH2  ARG  10          HH21      ARG  10   3.561   5.926  -0.679
   71   2HH2  ARG  10          HH22      ARG  10   3.761   7.643  -0.573
   72    H    ASN  11           HN       ASN  11  -0.914   4.101  -6.888
   73    HA   ASN  11           HA       ASN  11  -3.292   5.634  -6.868
   74   1HB   ASN  11          HB2       ASN  11  -1.556   4.885  -8.813
   75   2HB   ASN  11          HB1       ASN  11  -2.880   3.771  -9.124
   76   1HD2  ASN  11          HD21      ASN  11  -1.816   7.041  -9.215
   77   2HD2  ASN  11          HD22      ASN  11  -3.194   7.699 -10.021
   78    H    ILE  12           HN       ILE  12  -2.684   2.170  -7.316
   79    HA   ILE  12           HA       ILE  12  -5.368   1.361  -7.429
   80    HB   ILE  12           HB       ILE  12  -3.064  -0.175  -6.331
   81   1HG1  ILE  12          HG12      ILE  12  -3.833  -0.566  -9.140
   82   2HG1  ILE  12          HG11      ILE  12  -3.114   0.921  -8.813
   83   1HG2  ILE  12          HG21      ILE  12  -4.760  -1.600  -5.966
   84   2HG2  ILE  12          HG22      ILE  12  -4.654  -1.889  -7.708
   85   3HG2  ILE  12          HG23      ILE  12  -5.844  -0.752  -7.070
   86   1HD1  ILE  12          HD11      ILE  12  -1.498  -0.853  -7.491
   87   2HD1  ILE  12          HD12      ILE  12  -1.128   0.009  -8.968
   88   3HD1  ILE  12          HD13      ILE  12  -1.862  -1.560  -9.065
   89    H    TYR  13           HN       TYR  13  -3.086   1.574  -4.730
   90    HA   TYR  13           HA       TYR  13  -4.707   0.589  -2.695
   91   1HB   TYR  13          HB2       TYR  13  -2.177   1.694  -2.879
   92   2HB   TYR  13          HB1       TYR  13  -3.045   2.861  -1.890
   93    HD1  TYR  13           HD1      TYR  13  -4.016   2.175   0.233
   94    HD2  TYR  13           HD2      TYR  13  -1.603  -0.390  -2.025
   95    HE1  TYR  13           HE1      TYR  13  -3.702   0.749   2.170
   96    HE2  TYR  13           HE2      TYR  13  -1.287  -1.825  -0.055
   97    HH   TYR  13           HH       TYR  13  -2.758  -2.221   2.110
   98    H    ASN  14           HN       ASN  14  -4.446   3.809  -4.097
   99    HA   ASN  14           HA       ASN  14  -6.219   5.051  -2.260
  100   1HB   ASN  14          HB2       ASN  14  -4.644   5.831  -4.551
  101   2HB   ASN  14          HB1       ASN  14  -6.253   6.528  -4.658
  102   1HD2  ASN  14          HD21      ASN  14  -3.260   6.512  -2.973
  103   2HD2  ASN  14          HD22      ASN  14  -3.581   7.867  -1.955
  104    H    THR  15           HN       THR  15  -6.632   3.813  -5.575
  105    HA   THR  15           HA       THR  15  -9.300   4.518  -5.925
  106    HB   THR  15           HB       THR  15  -8.349   1.898  -6.965
  107    HG1  THR  15           HG1      THR  15  -6.519   2.960  -7.360
  108   1HG2  THR  15          HG21      THR  15  -9.152   3.374  -9.096
  109   2HG2  THR  15          HG22      THR  15 -10.186   4.004  -7.807
  110   3HG2  THR  15          HG23      THR  15 -10.184   2.283  -8.174
  111    H    CYS  16           HN       CYS  16  -7.836   1.878  -4.183
  112    HA   CYS  16           HA       CYS  16 -10.306   0.509  -3.700
  113   1HB   CYS  16          HB2       CYS  16  -8.724  -1.009  -3.526
  114   2HB   CYS  16          HB1       CYS  16  -7.454   0.121  -3.201
  115    H    ARG  17           HN       ARG  17  -7.972   2.145  -1.569
  116    HA   ARG  17           HA       ARG  17  -9.451   2.141   0.672
  117   1HB   ARG  17          HB2       ARG  17  -7.215   3.636  -0.314
  118   2HB   ARG  17          HB1       ARG  17  -8.180   4.614   0.694
  119   1HG   ARG  17          HG2       ARG  17  -7.670   1.955   1.739
  120   2HG   ARG  17          HG1       ARG  17  -6.187   2.849   1.405
  121   1HD   ARG  17          HD2       ARG  17  -7.129   3.138   3.725
  122   2HD   ARG  17          HD1       ARG  17  -6.831   4.634   2.830
  123    HE   ARG  17           HE       ARG  17  -9.507   3.712   2.493
  124   1HH1  ARG  17          HH11      ARG  17  -7.387   5.378   4.710
  125   2HH1  ARG  17          HH12      ARG  17  -8.669   6.267   5.469
  126   1HH2  ARG  17          HH21      ARG  17 -11.196   4.874   3.489
  127   2HH2  ARG  17          HH22      ARG  17 -10.831   5.976   4.776
  128    H    PHE  18           HN       PHE  18  -9.424   4.678  -1.738
  129    HA   PHE  18           HA       PHE  18 -11.517   6.163  -0.513
  130   1HB   PHE  18          HB2       PHE  18 -10.176   6.329  -3.202
  131   2HB   PHE  18          HB1       PHE  18 -11.512   7.382  -2.747
  132    HD1  PHE  18           HD1      PHE  18  -8.393   6.169  -1.091
  133    HD2  PHE  18           HD2      PHE  18 -10.822   9.487  -2.173
  134    HE1  PHE  18           HE1      PHE  18  -6.805   7.684   0.000
  135    HE2  PHE  18           HE2      PHE  18  -9.241  11.013  -1.078
  136    HZ   PHE  18           HZ       PHE  18  -7.230  10.113   0.000
  137    H    GLY  19           HN       GLY  19 -11.363   3.397  -2.477
  138   1HA   GLY  19          HA2       GLY  19 -13.924   3.769  -3.722
  139   2HA   GLY  19          HA1       GLY  19 -12.928   2.327  -3.803
  140    H    GLY  20           HN       GLY  20 -12.700   2.396  -0.802
  141   1HA   GLY  20          HA2       GLY  20 -14.368   2.156   0.915
  142   2HA   GLY  20          HA1       GLY  20 -15.408   1.379  -0.194
  143    H    GLY  21           HN       GLY  21 -11.931   0.831   0.240
  144   1HA   GLY  21          HA2       GLY  21 -12.588  -1.899   0.738
  145   2HA   GLY  21          HA1       GLY  21 -11.071  -1.320   0.111
  146    H    SER  22           HN       SER  22  -9.794  -2.326   1.578
  147    HA   SER  22           HA       SER  22  -9.774  -1.070   4.222
  148   1HB   SER  22          HB2       SER  22 -10.777  -3.562   3.968
  149   2HB   SER  22          HB1       SER  22  -9.066  -3.954   4.134
  150    HG   SER  22           HG       SER  22  -9.191  -2.471   6.037
  151    H    ARG  23           HN       ARG  23  -7.570  -2.972   4.988
  152    HA   ARG  23           HA       ARG  23  -5.464  -1.599   3.542
  153   1HB   ARG  23          HB2       ARG  23  -5.427  -3.097   6.155
  154   2HB   ARG  23          HB1       ARG  23  -4.006  -2.384   5.414
  155   1HG   ARG  23          HG2       ARG  23  -6.407  -1.000   6.551
  156   2HG   ARG  23          HG1       ARG  23  -4.719  -0.868   7.050
  157   1HD   ARG  23          HD2       ARG  23  -5.017   0.990   5.851
  158   2HD   ARG  23          HD1       ARG  23  -4.338  -0.007   4.634
  159    HE   ARG  23           HE       ARG  23  -6.318   0.081   3.492
  160   1HH1  ARG  23          HH11      ARG  23  -6.833   1.199   6.742
  161   2HH1  ARG  23          HH12      ARG  23  -8.445   1.732   6.430
  162   1HH2  ARG  23          HH21      ARG  23  -8.452   0.733   3.079
  163   2HH2  ARG  23          HH22      ARG  23  -9.365   1.468   4.354
  164    H    GLN  24           HN       GLN  24  -6.298  -4.846   4.672
  165    HA   GLN  24           HA       GLN  24  -4.198  -6.142   3.297
  166   1HB   GLN  24          HB2       GLN  24  -6.517  -6.919   4.860
  167   2HB   GLN  24          HB1       GLN  24  -6.279  -7.994   3.490
  168   1HG   GLN  24          HG2       GLN  24  -3.775  -7.919   4.384
  169   2HG   GLN  24          HG1       GLN  24  -4.604  -7.581   5.891
  170   1HE2  GLN  24          HE21      GLN  24  -4.171  -9.496   6.889
  171   2HE2  GLN  24          HE22      GLN  24  -4.794 -11.015   6.361
  172    H    VAL  25           HN       VAL  25  -7.563  -5.494   2.472
  173    HA   VAL  25           HA       VAL  25  -7.568  -6.803   0.062
  174    HB   VAL  25           HB       VAL  25  -9.211  -4.376   0.699
  175   1HG1  VAL  25          HG11      VAL  25  -9.427  -6.556  -1.254
  176   2HG1  VAL  25          HG12      VAL  25  -9.579  -4.811  -1.465
  177   3HG1  VAL  25          HG13      VAL  25 -10.872  -5.724  -0.680
  178   1HG2  VAL  25          HG21      VAL  25 -10.925  -6.113   1.418
  179   2HG2  VAL  25          HG22      VAL  25  -9.574  -5.833   2.509
  180   3HG2  VAL  25          HG23      VAL  25  -9.580  -7.258   1.472
  181    H    CYS  26           HN       CYS  26  -6.849  -3.491   0.930
  182    HA   CYS  26           HA       CYS  26  -6.416  -2.476  -1.579
  183   1HB   CYS  26          HB2       CYS  26  -6.077  -1.577   1.059
  184   2HB   CYS  26          HB1       CYS  26  -4.676  -1.131   0.145
  185    H    ALA  27           HN       ALA  27  -4.320  -3.982   0.743
  186    HA   ALA  27           HA       ALA  27  -1.875  -3.668  -0.513
  187   1HB   ALA  27          HB1       ALA  27  -2.491  -6.098   1.050
  188   2HB   ALA  27          HB2       ALA  27  -2.342  -4.506   1.794
  189   3HB   ALA  27          HB3       ALA  27  -0.982  -5.201   0.910
  190    H    SER  28           HN       SER  28  -4.321  -6.204  -0.745
  191    HA   SER  28           HA       SER  28  -2.808  -7.738  -2.618
  192   1HB   SER  28          HB2       SER  28  -4.782  -8.425  -0.950
  193   2HB   SER  28          HB1       SER  28  -5.752  -8.110  -2.392
  194    HG   SER  28           HG       SER  28  -5.076 -10.280  -2.308
  195    H    LEU  29           HN       LEU  29  -4.610  -4.913  -2.849
  196    HA   LEU  29           HA       LEU  29  -5.445  -5.387  -5.588
  197   1HB   LEU  29          HB2       LEU  29  -6.295  -3.671  -3.441
  198   2HB   LEU  29          HB1       LEU  29  -5.966  -2.720  -4.876
  199    HG   LEU  29           HG       LEU  29  -7.447  -4.742  -5.934
  200   1HD1  LEU  29          HD11      LEU  29  -9.443  -4.875  -4.368
  201   2HD1  LEU  29          HD12      LEU  29  -8.353  -4.308  -3.102
  202   3HD1  LEU  29          HD13      LEU  29  -8.025  -5.830  -3.936
  203   1HD2  LEU  29          HD21      LEU  29  -9.378  -2.935  -5.329
  204   2HD2  LEU  29          HD22      LEU  29  -8.214  -2.747  -6.639
  205   3HD2  LEU  29          HD23      LEU  29  -7.919  -1.969  -5.085
  206    H    SER  30           HN       SER  30  -3.106  -3.587  -3.716
  207    HA   SER  30           HA       SER  30  -2.048  -2.380  -6.174
  208   1HB   SER  30          HB2       SER  30  -1.036  -1.646  -3.458
  209   2HB   SER  30          HB1       SER  30  -1.175  -0.653  -4.907
  210    HG   SER  30           HG       SER  30  -3.539  -0.929  -4.555
  211    H    GLY  31           HN       GLY  31  -1.467  -4.874  -3.936
  212   1HA   GLY  31          HA2       GLY  31   0.094  -6.518  -4.086
  213   2HA   GLY  31          HA1       GLY  31   0.920  -5.541  -5.280
  214    H    CYS  32           HN       CYS  32   0.217  -3.624  -2.633
  215    HA   CYS  32           HA       CYS  32   2.980  -3.600  -1.824
  216   1HB   CYS  32          HB2       CYS  32   0.745  -2.096  -0.478
  217   2HB   CYS  32          HB1       CYS  32   2.452  -1.677  -0.561
  218    H    LYS  33           HN       LYS  33   3.462  -3.496   0.486
  219    HA   LYS  33           HA       LYS  33   2.042  -5.678   1.853
  220   1HB   LYS  33          HB2       LYS  33   4.167  -6.512   1.343
  221   2HB   LYS  33          HB1       LYS  33   4.944  -4.986   1.724
  222   1HG   LYS  33          HG2       LYS  33   3.538  -6.333   3.942
  223   2HG   LYS  33          HG1       LYS  33   5.010  -7.105   3.346
  224   1HD   LYS  33          HD2       LYS  33   4.828  -4.203   4.153
  225   2HD   LYS  33          HD1       LYS  33   5.369  -5.497   5.230
  226   1HE   LYS  33          HE2       LYS  33   6.645  -4.890   2.566
  227   2HE   LYS  33          HE1       LYS  33   7.204  -4.214   4.096
  228   1HZ   LYS  33          HZ1       LYS  33   7.360  -6.619   4.856
  229   2HZ   LYS  33          HZ2       LYS  33   8.521  -6.090   3.741
  230   3HZ   LYS  33          HZ3       LYS  33   7.227  -7.039   3.220
  231    H    ILE  34           HN       ILE  34   1.562  -5.452   4.024
  232    HA   ILE  34           HA       ILE  34   1.311  -2.768   4.993
  233    HB   ILE  34           HB       ILE  34   0.827  -5.287   6.570
  234   1HG1  ILE  34          HG12      ILE  34  -0.317  -5.499   4.494
  235   2HG1  ILE  34          HG11      ILE  34  -1.449  -5.110   5.787
  236   1HG2  ILE  34          HG21      ILE  34   0.306  -2.426   6.960
  237   2HG2  ILE  34          HG22      ILE  34   0.486  -3.724   8.142
  238   3HG2  ILE  34          HG23      ILE  34  -0.974  -3.485   7.317
  239   1HD1  ILE  34          HD11      ILE  34  -1.079  -3.786   3.332
  240   2HD1  ILE  34          HD12      ILE  34  -0.553  -2.680   4.601
  241   3HD1  ILE  34          HD13      ILE  34  -2.177  -3.362   4.647
  242    H    ILE  35           HN       ILE  35   2.455  -1.722   6.537
  243    HA   ILE  35           HA       ILE  35   5.092  -2.652   7.109
  244    HB   ILE  35           HB       ILE  35   3.765  -0.358   8.524
  245   1HG1  ILE  35          HG12      ILE  35   3.248   0.012   6.224
  246   2HG1  ILE  35          HG11      ILE  35   4.629   0.991   6.623
  247   1HG2  ILE  35          HG21      ILE  35   6.367   0.226   7.800
  248   2HG2  ILE  35          HG22      ILE  35   6.448  -1.399   8.278
  249   3HG2  ILE  35          HG23      ILE  35   5.803  -0.218   9.394
  250   1HD1  ILE  35          HD11      ILE  35   4.586  -1.455   5.007
  251   2HD1  ILE  35          HD12      ILE  35   6.073  -0.743   5.628
  252   3HD1  ILE  35          HD13      ILE  35   5.064   0.098   4.501
  253    H    SER  36           HN       SER  36   6.015  -3.164   9.118
  254    HA   SER  36           HA       SER  36   4.094  -3.929  11.213
  255   1HB   SER  36          HB2       SER  36   5.432  -5.746   9.748
  256   2HB   SER  36          HB1       SER  36   6.638  -5.441  10.996
  257    HG   SER  36           HG       SER  36   4.496  -6.961  11.168
  258    H    ALA  37           HN       ALA  37   5.616  -1.461  10.910
  259    HA   ALA  37           HA       ALA  37   6.512  -1.134  13.551
  260   1HB   ALA  37          HB1       ALA  37   8.885  -0.884  11.785
  261   2HB   ALA  37          HB2       ALA  37   8.397  -2.513  12.265
  262   3HB   ALA  37          HB3       ALA  37   8.779  -1.310  13.496
  263    H    SER  38           HN       SER  38   8.376   0.851  13.213
  264    HA   SER  38           HA       SER  38   6.649   2.888  12.132
  265   1HB   SER  38          HB2       SER  38   9.293   3.439  13.450
  266   2HB   SER  38          HB1       SER  38   7.835   4.433  13.426
  267    HG   SER  38           HG       SER  38   8.264   2.026  14.855
  268    H    THR  39           HN       THR  39   8.620   0.971  10.619
  269    HA   THR  39           HA       THR  39   9.436   2.993   8.697
  270    HB   THR  39           HB       THR  39  11.391   0.899   9.583
  271    HG1  THR  39           HG1      THR  39  11.813   2.033  11.275
  272   1HG2  THR  39          HG21      THR  39  12.878   2.985   8.801
  273   2HG2  THR  39          HG22      THR  39  11.473   3.197   7.748
  274   3HG2  THR  39          HG23      THR  39  12.375   1.681   7.722
  275    H    CYS  40           HN       CYS  40  10.352   1.864   6.682
  276    HA   CYS  40           HA       CYS  40   8.651  -0.354   6.105
  277   1HB   CYS  40          HB2       CYS  40   9.163   1.944   4.696
  278   2HB   CYS  40          HB1       CYS  40   9.976   0.676   3.784
  279    HA   PRO  41           HA       PRO  41  12.312  -2.884   6.035
  280   1HB   PRO  41          HB2       PRO  41  11.195  -5.152   5.073
  281   2HB   PRO  41          HB1       PRO  41  10.907  -4.586   6.719
  282   1HG   PRO  41          HG2       PRO  41   9.187  -4.295   4.285
  283   2HG   PRO  41          HG1       PRO  41   8.720  -4.735   5.940
  284   1HD   PRO  41          HD2       PRO  41   8.416  -2.226   4.927
  285   2HD   PRO  41          HD1       PRO  41   8.705  -2.549   6.648
  286    H    SER  42           HN       SER  42  12.850  -4.849   4.190
  287    HA   SER  42           HA       SER  42  13.670  -3.326   1.920
  288   1HB   SER  42          HB2       SER  42  14.269  -6.043   1.542
  289   2HB   SER  42          HB1       SER  42  15.345  -4.791   2.155
  290    HG   SER  42           HG       SER  42  15.212  -5.643   4.058
  291    H    ASP  43           HN       ASP  43  10.901  -3.450   1.975
  292    HA   ASP  43           HA       ASP  43  10.285  -5.234  -0.158
  293   1HB   ASP  43          HB2       ASP  43   8.790  -4.608   2.227
  294   2HB   ASP  43          HB1       ASP  43   7.827  -4.678   0.755
  295    H    TYR  44           HN       TYR  44  11.411  -2.984  -0.898
  296    HA   TYR  44           HA       TYR  44  11.219  -1.031  -2.048
  297   1HB   TYR  44          HB2       TYR  44   8.832  -1.050  -3.365
  298   2HB   TYR  44          HB1       TYR  44  10.269  -1.903  -3.903
  299    HD1  TYR  44           HD1      TYR  44   6.866  -2.215  -2.815
  300    HD2  TYR  44           HD2      TYR  44  10.507  -4.356  -3.302
  301    HE1  TYR  44           HE1      TYR  44   5.625  -4.337  -2.737
  302    HE2  TYR  44           HE2      TYR  44   9.276  -6.484  -3.224
  303    HH   TYR  44           HH       TYR  44   6.331  -6.926  -3.802
  304    HA   PRO  45           HA       PRO  45   8.660   1.135   0.914
  305   1HB   PRO  45          HB2       PRO  45  10.419   3.093   1.403
  306   2HB   PRO  45          HB1       PRO  45  10.597   1.495   2.129
  307   1HG   PRO  45          HG2       PRO  45  11.994   2.666  -0.167
  308   2HG   PRO  45          HG1       PRO  45  12.663   1.695   1.077
  309   1HD   PRO  45          HD2       PRO  45  12.015   0.675  -1.296
  310   2HD   PRO  45          HD1       PRO  45  12.020  -0.222   0.126
  311    H    LYS  46           HN       LYS  46   7.812   1.334  -1.528
  312    HA   LYS  46           HA       LYS  46   7.923   4.194  -2.154
  313   1HB   LYS  46          HB2       LYS  46   8.135   1.823  -3.832
  314   2HB   LYS  46          HB1       LYS  46   6.882   2.923  -4.397
  315   1HG   LYS  46          HG2       LYS  46   9.757   3.660  -3.879
  316   2HG   LYS  46          HG1       LYS  46   9.043   3.347  -5.460
  317   1HD   LYS  46          HD2       LYS  46   8.207   5.533  -3.552
  318   2HD   LYS  46          HD1       LYS  46   9.208   5.749  -4.987
  319   1HE   LYS  46          HE2       LYS  46   7.354   4.947  -6.383
  320   2HE   LYS  46          HE1       LYS  46   6.359   4.757  -4.942
  321   1HZ   LYS  46          HZ1       LYS  46   5.735   6.807  -5.782
  322   2HZ   LYS  46          HZ2       LYS  46   7.305   7.247  -6.212
  323   3HZ   LYS  46          HZ3       LYS  46   6.850   7.229  -4.580
  Start of MODEL   11
    1   1H    LYS   1          HT1       LYS   1   0.421   3.871   6.511
    2   2H    LYS   1          HT2       LYS   1   1.494   5.077   7.079
    3   3H    LYS   1          HT3       LYS   1   1.741   3.425   7.493
    4    HA   LYS   1           HA       LYS   1   1.834   4.522   4.763
    5   1HB   LYS   1          HB2       LYS   1   4.276   4.212   4.998
    6   2HB   LYS   1          HB1       LYS   1   3.649   5.405   6.121
    7   1HG   LYS   1          HG2       LYS   1   3.716   2.708   7.222
    8   2HG   LYS   1          HG1       LYS   1   5.304   3.325   6.758
    9   1HD   LYS   1          HD2       LYS   1   5.303   4.922   8.362
   10   2HD   LYS   1          HD1       LYS   1   3.568   5.196   8.232
   11   1HE   LYS   1          HE2       LYS   1   3.126   3.168   9.484
   12   2HE   LYS   1          HE1       LYS   1   4.854   2.817   9.558
   13   1HZ   LYS   1          HZ1       LYS   1   5.136   4.901  10.814
   14   2HZ   LYS   1          HZ2       LYS   1   4.138   3.797  11.616
   15   3HZ   LYS   1          HZ3       LYS   1   3.458   5.120  10.811
   16    H    SER   2           HN       SER   2   3.297   2.939   3.476
   17    HA   SER   2           HA       SER   2   3.137   0.186   4.208
   18   1HB   SER   2          HB2       SER   2   1.678  -0.464   2.384
   19   2HB   SER   2          HB1       SER   2   0.817   0.597   3.428
   20    HG   SER   2           HG       SER   2   1.584   0.842   0.798
   21    H    CYS   3           HN       CYS   3   4.067  -1.153   2.504
   22    HA   CYS   3           HA       CYS   3   6.136   0.253   1.047
   23   1HB   CYS   3          HB2       CYS   3   6.034  -2.263   2.411
   24   2HB   CYS   3          HB1       CYS   3   6.862  -2.298   0.860
   25    H    CYS   4           HN       CYS   4   5.294   0.791  -0.805
   26    HA   CYS   4           HA       CYS   4   4.041  -1.244  -2.416
   27   1HB   CYS   4          HB2       CYS   4   3.829   1.664  -2.435
   28   2HB   CYS   4          HB1       CYS   4   3.453   0.752  -3.890
   29    HA   PRO   5           HA       PRO   5   7.412  -1.517  -5.241
   30   1HB   PRO   5          HB2       PRO   5   6.140  -1.420  -7.680
   31   2HB   PRO   5          HB1       PRO   5   6.221  -2.854  -6.650
   32   1HG   PRO   5          HG2       PRO   5   4.012  -0.866  -6.947
   33   2HG   PRO   5          HG1       PRO   5   3.918  -2.632  -6.811
   34   1HD   PRO   5          HD2       PRO   5   3.391  -1.031  -4.727
   35   2HD   PRO   5          HD1       PRO   5   4.201  -2.598  -4.517
   36    H    ASN   6           HN       ASN   6   5.006   0.795  -6.336
   37    HA   ASN   6           HA       ASN   6   7.023   2.846  -6.428
   38   1HB   ASN   6          HB2       ASN   6   6.804   3.385  -8.778
   39   2HB   ASN   6          HB1       ASN   6   7.305   1.706  -8.616
   40   1HD2  ASN   6          HD21      ASN   6   5.371   0.178  -8.491
   41   2HD2  ASN   6          HD22      ASN   6   4.133   0.409  -9.666
   42    H    THR   7           HN       THR   7   5.996   4.942  -7.360
   43    HA   THR   7           HA       THR   7   3.921   5.730  -5.736
   44    HB   THR   7           HB       THR   7   4.505   6.911  -8.450
   45    HG1  THR   7           HG1      THR   7   5.847   7.182  -5.978
   46   1HG2  THR   7          HG21      THR   7   2.534   7.831  -7.266
   47   2HG2  THR   7          HG22      THR   7   3.826   9.007  -7.520
   48   3HG2  THR   7          HG23      THR   7   3.594   8.273  -5.930
   49    H    THR   8           HN       THR   8   3.738   4.010  -8.720
   50    HA   THR   8           HA       THR   8   1.073   4.645  -9.406
   51    HB   THR   8           HB       THR   8   2.650   2.147 -10.062
   52    HG1  THR   8           HG1      THR   8   2.368   4.591 -11.481
   53   1HG2  THR   8          HG21      THR   8   1.212   1.818 -11.909
   54   2HG2  THR   8          HG22      THR   8   0.389   3.351 -11.632
   55   3HG2  THR   8          HG23      THR   8   0.184   2.025 -10.492
   56    H    GLY   9           HN       GLY   9   2.543   2.101  -7.463
   57   1HA   GLY   9          HA2       GLY   9   0.272   0.532  -7.002
   58   2HA   GLY   9          HA1       GLY   9   1.635   0.673  -5.907
   59    H    ARG  10           HN       ARG  10   1.452   3.416  -5.316
   60    HA   ARG  10           HA       ARG  10  -0.298   3.390  -3.201
   61   1HB   ARG  10          HB2       ARG  10   1.634   5.080  -4.077
   62   2HB   ARG  10          HB1       ARG  10   0.196   6.068  -4.097
   63   1HG   ARG  10          HG2       ARG  10  -0.190   5.166  -1.760
   64   2HG   ARG  10          HG1       ARG  10   1.404   4.609  -1.787
   65   1HD   ARG  10          HD2       ARG  10   1.039   7.372  -2.639
   66   2HD   ARG  10          HD1       ARG  10   0.571   7.062  -0.966
   67    HE   ARG  10           HE       ARG  10   3.039   5.850  -1.407
   68   1HH1  ARG  10          HH11      ARG  10   1.681   9.062  -1.260
   69   2HH1  ARG  10          HH12      ARG  10   3.156   9.800  -0.725
   70   1HH2  ARG  10          HH21      ARG  10   4.978   6.815  -0.699
   71   2HH2  ARG  10          HH22      ARG  10   5.029   8.520  -0.409
   72    H    ASN  11           HN       ASN  11  -0.653   4.159  -6.549
   73    HA   ASN  11           HA       ASN  11  -3.001   5.739  -6.374
   74   1HB   ASN  11          HB2       ASN  11  -1.314   5.092  -8.396
   75   2HB   ASN  11          HB1       ASN  11  -2.652   4.010  -8.759
   76   1HD2  ASN  11          HD21      ASN  11  -1.568   7.279  -8.623
   77   2HD2  ASN  11          HD22      ASN  11  -2.951   7.996  -9.375
   78    H    ILE  12           HN       ILE  12  -2.471   2.300  -7.081
   79    HA   ILE  12           HA       ILE  12  -5.160   1.528  -7.205
   80    HB   ILE  12           HB       ILE  12  -2.816  -0.050  -6.249
   81   1HG1  ILE  12          HG12      ILE  12  -3.847  -0.242  -9.034
   82   2HG1  ILE  12          HG11      ILE  12  -2.905   1.107  -8.633
   83   1HG2  ILE  12          HG21      ILE  12  -4.464  -1.514  -5.826
   84   2HG2  ILE  12          HG22      ILE  12  -4.497  -1.731  -7.569
   85   3HG2  ILE  12          HG23      ILE  12  -5.641  -0.636  -6.793
   86   1HD1  ILE  12          HD11      ILE  12  -1.792  -1.019  -9.554
   87   2HD1  ILE  12          HD12      ILE  12  -1.794  -1.433  -7.840
   88   3HD1  ILE  12          HD13      ILE  12  -0.974   0.000  -8.396
   89    H    TYR  13           HN       TYR  13  -2.866   1.531  -4.499
   90    HA   TYR  13           HA       TYR  13  -4.515   0.470  -2.521
   91   1HB   TYR  13          HB2       TYR  13  -1.960   1.515  -2.638
   92   2HB   TYR  13          HB1       TYR  13  -2.798   2.648  -1.590
   93    HD1  TYR  13           HD1      TYR  13  -3.724   1.902   0.476
   94    HD2  TYR  13           HD2      TYR  13  -1.519  -0.666  -1.932
   95    HE1  TYR  13           HE1      TYR  13  -3.451   0.361   2.370
   96    HE2  TYR  13           HE2      TYR  13  -1.240  -2.218  -0.043
   97    HH   TYR  13           HH       TYR  13  -1.485  -1.522   2.876
   98    H    ASN  14           HN       ASN  14  -4.172   3.755  -3.731
   99    HA   ASN  14           HA       ASN  14  -5.904   4.947  -1.825
  100   1HB   ASN  14          HB2       ASN  14  -4.343   5.786  -4.111
  101   2HB   ASN  14          HB1       ASN  14  -5.924   6.562  -4.111
  102   1HD2  ASN  14          HD21      ASN  14  -2.988   7.285  -3.432
  103   2HD2  ASN  14          HD22      ASN  14  -3.147   8.200  -1.970
  104    H    THR  15           HN       THR  15  -6.374   3.870  -5.188
  105    HA   THR  15           HA       THR  15  -9.024   4.678  -5.492
  106    HB   THR  15           HB       THR  15  -8.379   2.061  -6.669
  107    HG1  THR  15           HG1      THR  15  -6.671   2.700  -7.815
  108   1HG2  THR  15          HG21      THR  15  -8.694   3.702  -8.754
  109   2HG2  THR  15          HG22      THR  15  -9.572   4.613  -7.521
  110   3HG2  THR  15          HG23      THR  15 -10.041   2.953  -7.892
  111    H    CYS  16           HN       CYS  16  -7.651   1.863  -3.946
  112    HA   CYS  16           HA       CYS  16 -10.140   0.562  -3.474
  113   1HB   CYS  16          HB2       CYS  16  -8.576  -0.986  -3.317
  114   2HB   CYS  16          HB1       CYS  16  -7.300   0.119  -2.940
  115    H    ARG  17           HN       ARG  17  -7.813   2.117  -1.270
  116    HA   ARG  17           HA       ARG  17  -9.320   2.078   0.950
  117   1HB   ARG  17          HB2       ARG  17  -7.067   3.582   0.000
  118   2HB   ARG  17          HB1       ARG  17  -8.040   4.543   1.044
  119   1HG   ARG  17          HG2       ARG  17  -7.544   1.857   2.038
  120   2HG   ARG  17          HG1       ARG  17  -6.058   2.755   1.733
  121   1HD   ARG  17          HD2       ARG  17  -8.281   4.109   3.180
  122   2HD   ARG  17          HD1       ARG  17  -7.314   2.919   4.041
  123    HE   ARG  17           HE       ARG  17  -5.720   4.850   2.661
  124   1HH1  ARG  17          HH11      ARG  17  -7.532   4.249   5.579
  125   2HH1  ARG  17          HH12      ARG  17  -6.625   5.390   6.526
  126   1HH2  ARG  17          HH21      ARG  17  -4.530   6.344   3.903
  127   2HH2  ARG  17          HH22      ARG  17  -4.922   6.577   5.567
  128    H    PHE  18           HN       PHE  18  -9.252   4.679  -1.394
  129    HA   PHE  18           HA       PHE  18 -11.358   6.136  -0.141
  130   1HB   PHE  18          HB2       PHE  18  -9.992   6.356  -2.818
  131   2HB   PHE  18          HB1       PHE  18 -11.336   7.398  -2.359
  132    HD1  PHE  18           HD1      PHE  18  -8.252   6.159  -0.649
  133    HD2  PHE  18           HD2      PHE  18 -10.645   9.499  -1.774
  134    HE1  PHE  18           HE1      PHE  18  -6.691   7.659   0.435
  135    HE2  PHE  18           HE2      PHE  18  -9.075  11.010  -0.628
  136    HZ   PHE  18           HZ       PHE  18  -7.100  10.087   0.452
  137    H    GLY  19           HN       GLY  19 -11.190   3.429  -2.193
  138   1HA   GLY  19          HA2       GLY  19 -13.742   3.827  -3.444
  139   2HA   GLY  19          HA1       GLY  19 -12.750   2.387  -3.543
  140    H    GLY  20           HN       GLY  20 -12.550   2.398  -0.532
  141   1HA   GLY  20          HA2       GLY  20 -14.218   2.126   1.167
  142   2HA   GLY  20          HA1       GLY  20 -15.266   1.401   0.016
  143    H    GLY  21           HN       GLY  21 -11.798   0.789   0.435
  144   1HA   GLY  21          HA2       GLY  21 -12.496  -1.940   0.901
  145   2HA   GLY  21          HA1       GLY  21 -10.976  -1.378   0.260
  146    H    SER  22           HN       SER  22  -9.703  -2.436   1.698
  147    HA   SER  22           HA       SER  22  -9.601  -1.220   4.352
  148   1HB   SER  22          HB2       SER  22 -10.830  -3.382   4.539
  149   2HB   SER  22          HB1       SER  22  -9.413  -4.207   3.890
  150    HG   SER  22           HG       SER  22  -9.309  -2.573   6.200
  151    H    ARG  23           HN       ARG  23  -7.488  -3.258   5.060
  152    HA   ARG  23           HA       ARG  23  -5.326  -1.959   3.625
  153   1HB   ARG  23          HB2       ARG  23  -5.326  -3.568   6.168
  154   2HB   ARG  23          HB1       ARG  23  -3.890  -2.886   5.442
  155   1HG   ARG  23          HG2       ARG  23  -6.213  -1.453   6.680
  156   2HG   ARG  23          HG1       ARG  23  -4.514  -1.416   7.160
  157   1HD   ARG  23          HD2       ARG  23  -4.764   0.506   6.056
  158   2HD   ARG  23          HD1       ARG  23  -4.134  -0.450   4.780
  159    HE   ARG  23           HE       ARG  23  -6.126  -0.224   3.668
  160   1HH1  ARG  23          HH11      ARG  23  -6.539   0.773   6.964
  161   2HH1  ARG  23          HH12      ARG  23  -8.136   1.387   6.692
  162   1HH2  ARG  23          HH21      ARG  23  -8.230   0.503   3.315
  163   2HH2  ARG  23          HH22      ARG  23  -9.096   1.241   4.620
  164    H    GLN  24           HN       GLN  24  -6.376  -5.193   4.595
  165    HA   GLN  24           HA       GLN  24  -4.357  -6.556   3.163
  166   1HB   GLN  24          HB2       GLN  24  -6.722  -7.252   4.699
  167   2HB   GLN  24          HB1       GLN  24  -6.559  -8.279   3.278
  168   1HG   GLN  24          HG2       GLN  24  -4.053  -8.419   4.153
  169   2HG   GLN  24          HG1       GLN  24  -4.853  -8.081   5.687
  170   1HE2  GLN  24          HE21      GLN  24  -4.435 -10.096   6.540
  171   2HE2  GLN  24          HE22      GLN  24  -5.217 -11.527   5.977
  172    H    VAL  25           HN       VAL  25  -7.686  -5.667   2.385
  173    HA   VAL  25           HA       VAL  25  -7.776  -6.853  -0.057
  174    HB   VAL  25           HB       VAL  25  -9.267  -4.368   0.682
  175   1HG1  VAL  25          HG11      VAL  25  -9.568  -6.393  -1.406
  176   2HG1  VAL  25          HG12      VAL  25  -9.722  -4.634  -1.474
  177   3HG1  VAL  25          HG13      VAL  25 -11.006  -5.601  -0.751
  178   1HG2  VAL  25          HG21      VAL  25 -11.074  -5.996   1.351
  179   2HG2  VAL  25          HG22      VAL  25  -9.672  -5.926   2.421
  180   3HG2  VAL  25          HG23      VAL  25  -9.847  -7.256   1.281
  181    H    CYS  26           HN       CYS  26  -6.841  -3.641   0.947
  182    HA   CYS  26           HA       CYS  26  -6.366  -2.522  -1.512
  183   1HB   CYS  26          HB2       CYS  26  -5.915  -1.813   1.183
  184   2HB   CYS  26          HB1       CYS  26  -4.555  -1.341   0.202
  185    H    ALA  27           HN       ALA  27  -4.359  -4.278   0.716
  186    HA   ALA  27           HA       ALA  27  -1.899  -4.035  -0.542
  187   1HB   ALA  27          HB1       ALA  27  -1.529  -6.370   0.573
  188   2HB   ALA  27          HB2       ALA  27  -3.010  -5.895   1.402
  189   3HB   ALA  27          HB3       ALA  27  -1.590  -4.857   1.481
  190    H    SER  28           HN       SER  28  -4.502  -6.378  -0.882
  191    HA   SER  28           HA       SER  28  -3.100  -7.951  -2.813
  192   1HB   SER  28          HB2       SER  28  -4.872  -8.869  -1.299
  193   2HB   SER  28          HB1       SER  28  -6.064  -7.954  -2.219
  194    HG   SER  28           HG       SER  28  -6.068  -9.848  -3.243
  195    H    LEU  29           HN       LEU  29  -4.644  -4.978  -2.943
  196    HA   LEU  29           HA       LEU  29  -5.516  -5.275  -5.690
  197   1HB   LEU  29          HB2       LEU  29  -6.208  -3.564  -3.477
  198   2HB   LEU  29          HB1       LEU  29  -5.795  -2.600  -4.880
  199    HG   LEU  29           HG       LEU  29  -7.459  -4.415  -6.015
  200   1HD1  LEU  29          HD11      LEU  29  -9.443  -4.461  -4.405
  201   2HD1  LEU  29          HD12      LEU  29  -8.269  -4.117  -3.137
  202   3HD1  LEU  29          HD13      LEU  29  -8.123  -5.590  -4.098
  203   1HD2  LEU  29          HD21      LEU  29  -8.061  -2.325  -6.578
  204   2HD2  LEU  29          HD22      LEU  29  -7.710  -1.676  -4.972
  205   3HD2  LEU  29          HD23      LEU  29  -9.239  -2.514  -5.279
  206    H    SER  30           HN       SER  30  -3.023  -3.751  -3.777
  207    HA   SER  30           HA       SER  30  -1.849  -2.627  -6.231
  208   1HB   SER  30          HB2       SER  30  -1.056  -1.892  -3.424
  209   2HB   SER  30          HB1       SER  30  -0.752  -1.002  -4.909
  210    HG   SER  30           HG       SER  30  -3.201  -1.347  -3.538
  211    H    GLY  31           HN       GLY  31  -1.527  -5.171  -4.038
  212   1HA   GLY  31          HA2       GLY  31   0.000  -6.840  -3.926
  213   2HA   GLY  31          HA1       GLY  31   0.803  -6.062  -5.255
  214    H    CYS  32           HN       CYS  32   0.188  -4.036  -2.572
  215    HA   CYS  32           HA       CYS  32   3.023  -3.928  -1.975
  216   1HB   CYS  32          HB2       CYS  32   0.827  -2.335  -0.661
  217   2HB   CYS  32          HB1       CYS  32   2.536  -1.945  -0.756
  218    H    LYS  33           HN       LYS  33   3.588  -3.629   0.310
  219    HA   LYS  33           HA       LYS  33   2.330  -5.801   1.847
  220   1HB   LYS  33          HB2       LYS  33   5.001  -5.447   1.117
  221   2HB   LYS  33          HB1       LYS  33   4.940  -4.987   2.812
  222   1HG   LYS  33          HG2       LYS  33   5.391  -7.240   2.927
  223   2HG   LYS  33          HG1       LYS  33   3.635  -7.207   3.118
  224   1HD   LYS  33          HD2       LYS  33   4.288  -8.956   1.565
  225   2HD   LYS  33          HD1       LYS  33   3.387  -7.691   0.721
  226   1HE   LYS  33          HE2       LYS  33   5.324  -6.828  -0.212
  227   2HE   LYS  33          HE1       LYS  33   6.386  -7.691   0.818
  228   1HZ   LYS  33          HZ1       LYS  33   6.209  -9.603  -0.278
  229   2HZ   LYS  33          HZ2       LYS  33   5.906  -8.530  -1.543
  230   3HZ   LYS  33          HZ3       LYS  33   4.619  -9.310  -0.770
  231    H    ILE  34           HN       ILE  34   1.525  -5.405   3.822
  232    HA   ILE  34           HA       ILE  34   1.062  -2.738   4.646
  233    HB   ILE  34           HB       ILE  34   0.774  -5.212   6.351
  234   1HG1  ILE  34          HG12      ILE  34  -0.312  -5.592   4.267
  235   2HG1  ILE  34          HG11      ILE  34  -1.491  -5.264   5.530
  236   1HG2  ILE  34          HG21      ILE  34  -0.078  -2.401   6.542
  237   2HG2  ILE  34          HG22      ILE  34   0.405  -3.493   7.809
  238   3HG2  ILE  34          HG23      ILE  34  -1.134  -3.680   7.139
  239   1HD1  ILE  34          HD11      ILE  34  -0.498  -3.175   3.603
  240   2HD1  ILE  34          HD12      ILE  34  -1.875  -3.076   4.703
  241   3HD1  ILE  34          HD13      ILE  34  -1.933  -4.168   3.324
  242    H    ILE  35           HN       ILE  35   2.054  -1.465   6.129
  243    HA   ILE  35           HA       ILE  35   4.736  -2.079   6.860
  244    HB   ILE  35           HB       ILE  35   3.316   0.162   6.553
  245   1HG1  ILE  35          HG12      ILE  35   5.730  -0.088   6.257
  246   2HG1  ILE  35          HG11      ILE  35   5.378   1.295   7.208
  247   1HG2  ILE  35          HG21      ILE  35   3.911   0.000   9.498
  248   2HG2  ILE  35          HG22      ILE  35   2.298  -0.022   8.779
  249   3HG2  ILE  35          HG23      ILE  35   3.293   1.369   8.633
  250   1HD1  ILE  35          HD11      ILE  35   7.264  -0.349   7.889
  251   2HD1  ILE  35          HD12      ILE  35   5.907  -1.147   8.665
  252   3HD1  ILE  35          HD13      ILE  35   6.302   0.442   9.095
  253    H    SER  36           HN       SER  36   5.476  -3.094   8.597
  254    HA   SER  36           HA       SER  36   3.605  -3.628  10.805
  255   1HB   SER  36          HB2       SER  36   5.031  -5.428   9.376
  256   2HB   SER  36          HB1       SER  36   6.179  -5.093  10.671
  257    HG   SER  36           HG       SER  36   4.204  -6.741  10.808
  258    H    ALA  37           HN       ALA  37   5.101  -1.135  10.474
  259    HA   ALA  37           HA       ALA  37   5.956  -0.775  13.129
  260   1HB   ALA  37          HB1       ALA  37   8.358  -0.453  11.459
  261   2HB   ALA  37          HB2       ALA  37   7.883  -2.099  11.780
  262   3HB   ALA  37          HB3       ALA  37   8.196  -0.999  13.123
  263    H    SER  38           HN       SER  38   7.799   1.233  12.795
  264    HA   SER  38           HA       SER  38   6.070   3.235  11.619
  265   1HB   SER  38          HB2       SER  38   8.467   3.487  13.444
  266   2HB   SER  38          HB1       SER  38   7.522   4.853  12.842
  267    HG   SER  38           HG       SER  38   6.773   2.831  14.650
  268    H    THR  39           HN       THR  39   7.967   1.401  10.102
  269    HA   THR  39           HA       THR  39   9.180   3.519   8.504
  270    HB   THR  39           HB       THR  39  10.686   0.994   9.159
  271    HG1  THR  39           HG1      THR  39  10.412   2.174  11.071
  272   1HG2  THR  39          HG21      THR  39  12.566   1.996   8.250
  273   2HG2  THR  39          HG22      THR  39  11.873   3.612   8.329
  274   3HG2  THR  39          HG23      THR  39  11.281   2.460   7.135
  275    H    CYS  40           HN       CYS  40  10.393   0.670   7.353
  276    HA   CYS  40           HA       CYS  40   8.170  -0.459   6.119
  277   1HB   CYS  40          HB2       CYS  40   8.639   1.897   4.999
  278   2HB   CYS  40          HB1       CYS  40   9.664   0.878   4.002
  279    HA   PRO  41           HA       PRO  41  11.541  -3.420   6.078
  280   1HB   PRO  41          HB2       PRO  41  10.076  -5.155   4.381
  281   2HB   PRO  41          HB1       PRO  41  10.240  -5.252   6.138
  282   1HG   PRO  41          HG2       PRO  41   8.023  -4.171   4.507
  283   2HG   PRO  41          HG1       PRO  41   7.997  -4.863   6.132
  284   1HD   PRO  41          HD2       PRO  41   7.727  -2.218   5.665
  285   2HD   PRO  41          HD1       PRO  41   8.492  -2.851   7.133
  286    H    SER  42           HN       SER  42  12.431  -4.889   4.180
  287    HA   SER  42           HA       SER  42  13.297  -3.056   2.129
  288   1HB   SER  42          HB2       SER  42  14.599  -5.017   3.455
  289   2HB   SER  42          HB1       SER  42  14.132  -5.897   1.996
  290    HG   SER  42           HG       SER  42  15.792  -3.648   2.269
  291    H    ASP  43           HN       ASP  43  10.655  -3.462   1.806
  292    HA   ASP  43           HA       ASP  43  10.491  -5.165  -0.484
  293   1HB   ASP  43          HB2       ASP  43   8.036  -5.354  -0.017
  294   2HB   ASP  43          HB1       ASP  43   9.092  -6.150   1.116
  295    H    TYR  44           HN       TYR  44  11.439  -2.776  -0.966
  296    HA   TYR  44           HA       TYR  44  11.171  -0.801  -2.062
  297   1HB   TYR  44          HB2       TYR  44   8.813  -0.979  -3.480
  298   2HB   TYR  44          HB1       TYR  44  10.384  -1.510  -4.039
  299    HD1  TYR  44           HD1      TYR  44  11.032  -3.967  -3.436
  300    HD2  TYR  44           HD2      TYR  44   7.046  -2.478  -3.406
  301    HE1  TYR  44           HE1      TYR  44  10.175  -6.265  -3.637
  302    HE2  TYR  44           HE2      TYR  44   6.178  -4.773  -3.609
  303    HH   TYR  44           HH       TYR  44   6.987  -6.977  -4.450
  304    HA   PRO  45           HA       PRO  45   8.263   1.007   0.810
  305   1HB   PRO  45          HB2       PRO  45   9.837   3.038   1.547
  306   2HB   PRO  45          HB1       PRO  45  10.100   1.406   2.166
  307   1HG   PRO  45          HG2       PRO  45  11.539   2.852   0.007
  308   2HG   PRO  45          HG1       PRO  45  12.200   1.833   1.274
  309   1HD   PRO  45          HD2       PRO  45  11.765   0.981  -1.222
  310   2HD   PRO  45          HD1       PRO  45  11.798  -0.043   0.118
  311    H    LYS  46           HN       LYS  46   7.637   1.306  -1.717
  312    HA   LYS  46           HA       LYS  46   7.626   4.203  -2.190
  313   1HB   LYS  46          HB2       LYS  46   7.943   1.900  -3.939
  314   2HB   LYS  46          HB1       LYS  46   6.657   2.968  -4.490
  315   1HG   LYS  46          HG2       LYS  46   8.322   4.053  -5.526
  316   2HG   LYS  46          HG1       LYS  46   8.600   4.767  -3.936
  317   1HD   LYS  46          HD2       LYS  46  10.700   4.002  -4.222
  318   2HD   LYS  46          HD1       LYS  46  10.007   2.462  -3.711
  319   1HE   LYS  46          HE2       LYS  46  10.892   1.703  -5.635
  320   2HE   LYS  46          HE1       LYS  46   9.442   2.410  -6.355
  321   1HZ   LYS  46          HZ1       LYS  46  11.755   2.993  -7.313
  322   2HZ   LYS  46          HZ2       LYS  46  11.856   4.060  -6.004
  323   3HZ   LYS  46          HZ3       LYS  46  10.601   4.223  -7.128
  Start of MODEL   12
    1   1H    LYS   1          HT1       LYS   1  -0.088   2.991   6.046
    2   2H    LYS   1          HT2       LYS   1   0.938   4.249   6.454
    3   3H    LYS   1          HT3       LYS   1   1.352   2.613   6.754
    4    HA   LYS   1           HA       LYS   1   0.775   3.620   4.065
    5   1HB   LYS   1          HB2       LYS   1   3.224   3.869   3.806
    6   2HB   LYS   1          HB1       LYS   1   2.550   5.000   4.968
    7   1HG   LYS   1          HG2       LYS   1   3.313   2.678   6.393
    8   2HG   LYS   1          HG1       LYS   1   4.646   3.128   5.328
    9   1HD   LYS   1          HD2       LYS   1   4.348   5.494   6.215
   10   2HD   LYS   1          HD1       LYS   1   3.326   4.781   7.462
   11   1HE   LYS   1          HE2       LYS   1   5.324   4.726   8.544
   12   2HE   LYS   1          HE1       LYS   1   5.417   3.173   7.719
   13   1HZ   LYS   1          HZ1       LYS   1   6.905   3.992   6.175
   14   2HZ   LYS   1          HZ2       LYS   1   7.410   4.759   7.588
   15   3HZ   LYS   1          HZ3       LYS   1   6.491   5.607   6.449
   16    H    SER   2           HN       SER   2   2.305   2.294   2.573
   17    HA   SER   2           HA       SER   2   2.567  -0.405   3.497
   18   1HB   SER   2          HB2       SER   2   1.531  -1.213   1.416
   19   2HB   SER   2          HB1       SER   2   0.394  -0.317   2.390
   20    HG   SER   2           HG       SER   2   0.240   0.989   0.802
   21    H    CYS   3           HN       CYS   3   3.867  -1.710   1.997
   22    HA   CYS   3           HA       CYS   3   5.983  -0.108   0.787
   23   1HB   CYS   3          HB2       CYS   3   6.008  -2.393   2.475
   24   2HB   CYS   3          HB1       CYS   3   6.842  -2.748   0.963
   25    H    CYS   4           HN       CYS   4   5.299   0.168  -1.199
   26    HA   CYS   4           HA       CYS   4   4.754  -2.148  -2.810
   27   1HB   CYS   4          HB2       CYS   4   3.242   0.106  -2.538
   28   2HB   CYS   4          HB1       CYS   4   4.014   0.253  -4.112
   29    HA   PRO   5           HA       PRO   5   8.524  -1.606  -5.033
   30   1HB   PRO   5          HB2       PRO   5   7.586  -2.186  -7.590
   31   2HB   PRO   5          HB1       PRO   5   8.138  -3.371  -6.403
   32   1HG   PRO   5          HG2       PRO   5   5.355  -2.513  -7.074
   33   2HG   PRO   5          HG1       PRO   5   5.973  -4.127  -6.674
   34   1HD   PRO   5          HD2       PRO   5   4.613  -2.681  -4.885
   35   2HD   PRO   5          HD1       PRO   5   5.992  -3.686  -4.391
   36    H    ASN   6           HN       ASN   6   5.608  -0.105  -6.371
   37    HA   ASN   6           HA       ASN   6   7.281   2.144  -7.093
   38   1HB   ASN   6          HB2       ASN   6   5.874   2.395  -9.189
   39   2HB   ASN   6          HB1       ASN   6   7.033   1.070  -9.190
   40   1HD2  ASN   6          HD21      ASN   6   5.750   0.152 -10.857
   41   2HD2  ASN   6          HD22      ASN   6   4.317  -0.658 -10.462
   42    H    THR   7           HN       THR   7   6.228   4.156  -7.121
   43    HA   THR   7           HA       THR   7   4.334   4.583  -5.139
   44    HB   THR   7           HB       THR   7   4.921   6.347  -7.520
   45    HG1  THR   7           HG1      THR   7   6.072   6.385  -4.929
   46   1HG2  THR   7          HG21      THR   7   2.916   7.054  -6.285
   47   2HG2  THR   7          HG22      THR   7   4.243   8.204  -6.142
   48   3HG2  THR   7          HG23      THR   7   3.877   7.118  -4.804
   49    H    THR   8           HN       THR   8   3.897   3.577  -8.389
   50    HA   THR   8           HA       THR   8   1.319   4.492  -8.937
   51    HB   THR   8           HB       THR   8   2.566   1.865  -9.771
   52    HG1  THR   8           HG1      THR   8   2.600   4.379 -11.089
   53   1HG2  THR   8          HG21      THR   8   1.118   1.850 -11.631
   54   2HG2  THR   8          HG22      THR   8   0.512   3.466 -11.263
   55   3HG2  THR   8          HG23      THR   8   0.108   2.115 -10.211
   56    H    GLY   9           HN       GLY   9   2.472   1.704  -7.120
   57   1HA   GLY   9          HA2       GLY   9   0.025   0.383  -6.761
   58   2HA   GLY   9          HA1       GLY   9   1.385   0.305  -5.663
   59    H    ARG  10           HN       ARG  10   1.497   3.072  -5.044
   60    HA   ARG  10           HA       ARG  10  -0.204   3.180  -2.877
   61   1HB   ARG  10          HB2       ARG  10   1.807   4.453  -2.930
   62   2HB   ARG  10          HB1       ARG  10   1.182   5.441  -4.253
   63   1HG   ARG  10          HG2       ARG  10   0.808   6.817  -2.467
   64   2HG   ARG  10          HG1       ARG  10  -0.648   5.964  -2.552
   65   1HD   ARG  10          HD2       ARG  10   0.026   6.019  -0.266
   66   2HD   ARG  10          HD1       ARG  10   0.169   4.368  -0.848
   67    HE   ARG  10           HE       ARG  10   2.391   4.497  -0.555
   68   1HH1  ARG  10          HH11      ARG  10   1.046   7.709  -0.402
   69   2HH1  ARG  10          HH12      ARG  10   2.529   8.444   0.087
   70   1HH2  ARG  10          HH21      ARG  10   4.341   5.455   0.101
   71   2HH2  ARG  10          HH22      ARG  10   4.398   7.161   0.381
   72    H    ASN  11           HN       ASN  11  -0.500   4.074  -6.202
   73    HA   ASN  11           HA       ASN  11  -2.686   5.869  -5.967
   74   1HB   ASN  11          HB2       ASN  11  -1.071   5.120  -8.015
   75   2HB   ASN  11          HB1       ASN  11  -2.522   4.204  -8.404
   76   1HD2  ASN  11          HD21      ASN  11  -1.098   7.327  -8.170
   77   2HD2  ASN  11          HD22      ASN  11  -2.396   8.212  -8.887
   78    H    ILE  12           HN       ILE  12  -2.481   2.415  -6.754
   79    HA   ILE  12           HA       ILE  12  -5.251   1.933  -6.878
   80    HB   ILE  12           HB       ILE  12  -3.115   0.022  -6.010
   81   1HG1  ILE  12          HG12      ILE  12  -4.025   0.017  -8.816
   82   2HG1  ILE  12          HG11      ILE  12  -3.068   1.376  -8.357
   83   1HG2  ILE  12          HG21      ILE  12  -5.964  -0.149  -6.659
   84   2HG2  ILE  12          HG22      ILE  12  -4.930  -1.228  -5.728
   85   3HG2  ILE  12          HG23      ILE  12  -4.944  -1.327  -7.489
   86   1HD1  ILE  12          HD11      ILE  12  -1.619  -0.611  -7.306
   87   2HD1  ILE  12          HD12      ILE  12  -1.312   0.150  -8.846
   88   3HD1  ILE  12          HD13      ILE  12  -2.257  -1.295  -8.798
   89    H    TYR  13           HN       TYR  13  -2.900   1.665  -4.244
   90    HA   TYR  13           HA       TYR  13  -4.553   0.640  -2.247
   91   1HB   TYR  13          HB2       TYR  13  -1.943   1.523  -2.408
   92   2HB   TYR  13          HB1       TYR  13  -2.675   2.692  -1.314
   93    HD1  TYR  13           HD1      TYR  13  -1.363  -0.552  -1.660
   94    HD2  TYR  13           HD2      TYR  13  -3.859   1.828   0.670
   95    HE1  TYR  13           HE1      TYR  13  -1.143  -2.153   0.113
   96    HE2  TYR  13           HE2      TYR  13  -3.637   0.240   2.529
   97    HH   TYR  13           HH       TYR  13  -1.550  -1.617   3.064
   98    H    ASN  14           HN       ASN  14  -4.038   3.930  -3.375
   99    HA   ASN  14           HA       ASN  14  -5.631   5.179  -1.381
  100   1HB   ASN  14          HB2       ASN  14  -4.069   5.994  -3.659
  101   2HB   ASN  14          HB1       ASN  14  -5.631   6.802  -3.696
  102   1HD2  ASN  14          HD21      ASN  14  -2.548   6.723  -2.327
  103   2HD2  ASN  14          HD22      ASN  14  -2.782   7.939  -1.124
  104    H    THR  15           HN       THR  15  -6.281   4.296  -4.777
  105    HA   THR  15           HA       THR  15  -8.911   5.212  -4.913
  106    HB   THR  15           HB       THR  15  -8.404   2.666  -6.298
  107    HG1  THR  15           HG1      THR  15  -6.818   3.564  -7.646
  108   1HG2  THR  15          HG21      THR  15  -8.708   4.483  -8.241
  109   2HG2  THR  15          HG22      THR  15  -9.534   5.310  -6.917
  110   3HG2  THR  15          HG23      THR  15 -10.051   3.695  -7.416
  111    H    CYS  16           HN       CYS  16  -7.568   2.312  -3.539
  112    HA   CYS  16           HA       CYS  16 -10.066   1.009  -3.099
  113   1HB   CYS  16          HB2       CYS  16  -8.516  -0.553  -3.077
  114   2HB   CYS  16          HB1       CYS  16  -7.220   0.495  -2.649
  115    H    ARG  17           HN       ARG  17  -7.677   2.454  -0.906
  116    HA   ARG  17           HA       ARG  17  -9.105   2.303   1.360
  117   1HB   ARG  17          HB2       ARG  17  -6.875   3.839   0.399
  118   2HB   ARG  17          HB1       ARG  17  -7.805   4.754   1.526
  119   1HG   ARG  17          HG2       ARG  17  -7.322   2.037   2.398
  120   2HG   ARG  17          HG1       ARG  17  -5.824   2.907   2.068
  121   1HD   ARG  17          HD2       ARG  17  -7.981   4.213   3.673
  122   2HD   ARG  17          HD1       ARG  17  -6.924   3.026   4.436
  123    HE   ARG  17           HE       ARG  17  -5.199   4.723   3.211
  124   1HH1  ARG  17          HH11      ARG  17  -7.838   5.172   5.452
  125   2HH1  ARG  17          HH12      ARG  17  -7.134   6.581   6.186
  126   1HH2  ARG  17          HH21      ARG  17  -4.281   6.574   4.172
  127   2HH2  ARG  17          HH22      ARG  17  -5.116   7.371   5.458
  128    H    PHE  18           HN       PHE  18  -9.111   5.003  -0.858
  129    HA   PHE  18           HA       PHE  18 -11.215   6.352   0.502
  130   1HB   PHE  18          HB2       PHE  18  -9.852   6.880  -2.101
  131   2HB   PHE  18          HB1       PHE  18 -11.132   7.902  -1.445
  132    HD1  PHE  18           HD1      PHE  18  -7.831   6.465  -0.496
  133    HD2  PHE  18           HD2      PHE  18 -10.555   9.718  -0.153
  134    HE1  PHE  18           HE1      PHE  18  -6.152   7.724   0.738
  135    HE2  PHE  18           HE2      PHE  18  -8.882  10.984   1.082
  136    HZ   PHE  18           HZ       PHE  18  -6.675   9.992   1.528
  137    H    GLY  19           HN       GLY  19 -11.089   3.777  -1.594
  138   1HA   GLY  19          HA2       GLY  19 -13.662   4.383  -2.809
  139   2HA   GLY  19          HA1       GLY  19 -12.597   3.075  -3.268
  140    H    GLY  20           HN       GLY  20 -12.319   2.505  -0.254
  141   1HA   GLY  20          HA2       GLY  20 -13.997   1.741   1.311
  142   2HA   GLY  20          HA1       GLY  20 -14.910   1.113   0.000
  143    H    GLY  21           HN       GLY  21 -11.485   0.889   0.905
  144   1HA   GLY  21          HA2       GLY  21 -11.794  -1.931   1.092
  145   2HA   GLY  21          HA1       GLY  21 -10.564  -1.275   0.059
  146    H    SER  22           HN       SER  22 -10.855  -2.704   2.829
  147    HA   SER  22           HA       SER  22  -9.471  -1.123   4.679
  148   1HB   SER  22          HB2       SER  22 -10.800  -3.407   4.926
  149   2HB   SER  22          HB1       SER  22  -9.194  -4.101   4.711
  150    HG   SER  22           HG       SER  22  -8.967  -3.701   6.754
  151    H    ARG  23           HN       ARG  23  -7.413  -3.198   5.315
  152    HA   ARG  23           HA       ARG  23  -5.380  -2.142   3.559
  153   1HB   ARG  23          HB2       ARG  23  -5.177  -3.746   6.103
  154   2HB   ARG  23          HB1       ARG  23  -3.799  -3.153   5.194
  155   1HG   ARG  23          HG2       ARG  23  -5.831  -1.623   6.761
  156   2HG   ARG  23          HG1       ARG  23  -4.073  -1.601   6.899
  157   1HD   ARG  23          HD2       ARG  23  -4.495   0.307   5.829
  158   2HD   ARG  23          HD1       ARG  23  -4.150  -0.679   4.473
  159    HE   ARG  23           HE       ARG  23  -6.354  -0.517   3.802
  160   1HH1  ARG  23          HH11      ARG  23  -5.977   0.838   6.963
  161   2HH1  ARG  23          HH12      ARG  23  -7.537   1.586   6.950
  162   1HH2  ARG  23          HH21      ARG  23  -8.407   0.389   3.785
  163   2HH2  ARG  23          HH22      ARG  23  -8.917   1.331   5.145
  164    H    GLN  24           HN       GLN  24  -6.741  -5.255   4.502
  165    HA   GLN  24           HA       GLN  24  -4.932  -6.834   3.020
  166   1HB   GLN  24          HB2       GLN  24  -7.381  -7.246   4.514
  167   2HB   GLN  24          HB1       GLN  24  -7.354  -8.228   3.056
  168   1HG   GLN  24          HG2       GLN  24  -4.896  -8.745   3.945
  169   2HG   GLN  24          HG1       GLN  24  -5.669  -8.369   5.482
  170   1HE2  GLN  24          HE21      GLN  24  -5.050 -10.680   5.806
  171   2HE2  GLN  24          HE22      GLN  24  -6.201 -11.883   5.340
  172    H    VAL  25           HN       VAL  25  -8.155  -5.580   2.286
  173    HA   VAL  25           HA       VAL  25  -8.343  -6.591  -0.225
  174    HB   VAL  25           HB       VAL  25  -9.558  -4.015   0.708
  175   1HG1  VAL  25          HG11      VAL  25  -9.910  -5.649  -1.643
  176   2HG1  VAL  25          HG12      VAL  25 -10.127  -3.922  -1.393
  177   3HG1  VAL  25          HG13      VAL  25 -11.385  -5.049  -0.889
  178   1HG2  VAL  25          HG21      VAL  25 -11.581  -5.650   1.024
  179   2HG2  VAL  25          HG22      VAL  25 -10.337  -5.531   2.268
  180   3HG2  VAL  25          HG23      VAL  25 -10.315  -6.874   1.128
  181    H    CYS  26           HN       CYS  26  -7.050  -3.572   0.957
  182    HA   CYS  26           HA       CYS  26  -6.456  -2.366  -1.440
  183   1HB   CYS  26          HB2       CYS  26  -5.923  -1.871   1.291
  184   2HB   CYS  26          HB1       CYS  26  -4.520  -1.500   0.301
  185    H    ALA  27           HN       ALA  27  -4.664  -4.487   0.653
  186    HA   ALA  27           HA       ALA  27  -2.198  -4.443  -0.595
  187   1HB   ALA  27          HB1       ALA  27  -3.052  -6.985   0.574
  188   2HB   ALA  27          HB2       ALA  27  -3.006  -5.550   1.602
  189   3HB   ALA  27          HB3       ALA  27  -1.551  -6.080   0.754
  190    H    SER  28           HN       SER  28  -5.046  -6.458  -1.088
  191    HA   SER  28           HA       SER  28  -3.783  -7.967  -3.170
  192   1HB   SER  28          HB2       SER  28  -5.488  -9.034  -1.773
  193   2HB   SER  28          HB1       SER  28  -6.682  -7.849  -2.302
  194    HG   SER  28           HG       SER  28  -6.774  -9.866  -3.450
  195    H    LEU  29           HN       LEU  29  -5.047  -4.905  -3.014
  196    HA   LEU  29           HA       LEU  29  -6.006  -4.909  -5.753
  197   1HB   LEU  29          HB2       LEU  29  -6.648  -3.418  -3.383
  198   2HB   LEU  29          HB1       LEU  29  -6.194  -2.324  -4.675
  199    HG   LEU  29           HG       LEU  29  -7.923  -4.013  -5.964
  200   1HD1  LEU  29          HD11      LEU  29  -9.931  -3.958  -4.366
  201   2HD1  LEU  29          HD12      LEU  29  -8.729  -3.795  -3.087
  202   3HD1  LEU  29          HD13      LEU  29  -8.717  -5.217  -4.136
  203   1HD2  LEU  29          HD21      LEU  29  -9.580  -2.017  -5.157
  204   2HD2  LEU  29          HD22      LEU  29  -8.400  -1.875  -6.462
  205   3HD2  LEU  29          HD23      LEU  29  -7.996  -1.300  -4.844
  206    H    SER  30           HN       SER  30  -3.464  -3.706  -3.696
  207    HA   SER  30           HA       SER  30  -2.223  -2.397  -6.023
  208   1HB   SER  30          HB2       SER  30  -1.564  -1.894  -3.121
  209   2HB   SER  30          HB1       SER  30  -1.071  -0.935  -4.519
  210    HG   SER  30           HG       SER  30  -3.738  -1.298  -3.624
  211    H    GLY  31           HN       GLY  31  -2.057  -5.138  -4.116
  212   1HA   GLY  31          HA2       GLY  31  -0.505  -6.796  -3.877
  213   2HA   GLY  31          HA1       GLY  31   0.173  -6.130  -5.330
  214    H    CYS  32           HN       CYS  32  -0.117  -4.098  -2.532
  215    HA   CYS  32           HA       CYS  32   2.728  -3.907  -2.340
  216   1HB   CYS  32          HB2       CYS  32   0.713  -2.496  -0.613
  217   2HB   CYS  32          HB1       CYS  32   2.368  -2.027  -0.937
  218    H    LYS  33           HN       LYS  33   3.642  -3.730  -0.111
  219    HA   LYS  33           HA       LYS  33   2.902  -6.169   1.277
  220   1HB   LYS  33          HB2       LYS  33   5.359  -5.080   0.552
  221   2HB   LYS  33          HB1       LYS  33   5.256  -4.791   2.279
  222   1HG   LYS  33          HG2       LYS  33   6.333  -6.862   2.018
  223   2HG   LYS  33          HG1       LYS  33   4.689  -7.233   2.543
  224   1HD   LYS  33          HD2       LYS  33   5.180  -8.744   0.795
  225   2HD   LYS  33          HD1       LYS  33   4.122  -7.521   0.105
  226   1HE   LYS  33          HE2       LYS  33   5.788  -6.632  -1.111
  227   2HE   LYS  33          HE1       LYS  33   7.059  -7.093  -0.023
  228   1HZ   LYS  33          HZ1       LYS  33   6.571  -9.450  -0.716
  229   2HZ   LYS  33          HZ2       LYS  33   7.330  -8.470  -1.839
  230   3HZ   LYS  33          HZ3       LYS  33   5.673  -8.793  -1.969
  231    H    ILE  34           HN       ILE  34   1.568  -5.977   2.941
  232    HA   ILE  34           HA       ILE  34   0.911  -3.538   4.183
  233    HB   ILE  34           HB       ILE  34   0.484  -6.299   5.323
  234   1HG1  ILE  34          HG12      ILE  34  -0.323  -6.259   3.069
  235   2HG1  ILE  34          HG11      ILE  34  -1.658  -6.179   4.204
  236   1HG2  ILE  34          HG21      ILE  34  -0.299  -3.603   6.062
  237   2HG2  ILE  34          HG22      ILE  34  -0.186  -5.067   7.039
  238   3HG2  ILE  34          HG23      ILE  34  -1.590  -4.802   6.011
  239   1HD1  ILE  34          HD11      ILE  34  -1.000  -4.400   2.089
  240   2HD1  ILE  34          HD12      ILE  34  -0.909  -3.527   3.618
  241   3HD1  ILE  34          HD13      ILE  34  -2.391  -4.364   3.175
  242    H    ILE  35           HN       ILE  35   2.221  -2.384   5.427
  243    HA   ILE  35           HA       ILE  35   4.347  -3.661   6.935
  244    HB   ILE  35           HB       ILE  35   4.778  -1.561   5.718
  245   1HG1  ILE  35          HG12      ILE  35   5.706  -0.325   7.783
  246   2HG1  ILE  35          HG11      ILE  35   5.109  -1.672   8.700
  247   1HG2  ILE  35          HG21      ILE  35   3.633   0.277   5.992
  248   2HG2  ILE  35          HG22      ILE  35   3.391   0.024   7.716
  249   3HG2  ILE  35          HG23      ILE  35   2.363  -0.762   6.546
  250   1HD1  ILE  35          HD11      ILE  35   7.070  -1.813   6.428
  251   2HD1  ILE  35          HD12      ILE  35   6.522  -3.152   7.431
  252   3HD1  ILE  35          HD13      ILE  35   7.481  -1.866   8.139
  253    H    SER  36           HN       SER  36   4.540  -3.700   9.152
  254    HA   SER  36           HA       SER  36   2.090  -3.053  10.654
  255   1HB   SER  36          HB2       SER  36   2.874  -4.761  12.292
  256   2HB   SER  36          HB1       SER  36   2.572  -5.430  10.694
  257    HG   SER  36           HG       SER  36   4.725  -5.737  12.034
  258    H    ALA  37           HN       ALA  37   3.927  -1.054  10.114
  259    HA   ALA  37           HA       ALA  37   4.447  -0.111  12.727
  260   1HB   ALA  37          HB1       ALA  37   7.000  -0.352  11.230
  261   2HB   ALA  37          HB2       ALA  37   6.395  -1.745  12.072
  262   3HB   ALA  37          HB3       ALA  37   6.706  -0.294  12.967
  263    H    SER  38           HN       SER  38   6.074   1.891  12.436
  264    HA   SER  38           HA       SER  38   4.789   3.501  10.414
  265   1HB   SER  38          HB2       SER  38   6.749   4.490  12.481
  266   2HB   SER  38          HB1       SER  38   5.492   5.401  11.640
  267    HG   SER  38           HG       SER  38   5.334   3.950  13.922
  268    H    THR  39           HN       THR  39   7.159   1.516  10.048
  269    HA   THR  39           HA       THR  39   8.641   3.278   8.253
  270    HB   THR  39           HB       THR  39  10.095   1.292   9.975
  271    HG1  THR  39           HG1      THR  39  10.142   2.647  11.570
  272   1HG2  THR  39          HG21      THR  39  11.631   1.888   8.429
  273   2HG2  THR  39          HG22      THR  39  11.867   3.222   9.560
  274   3HG2  THR  39          HG23      THR  39  10.877   3.449   8.113
  275    H    CYS  40           HN       CYS  40  10.127   1.912   6.811
  276    HA   CYS  40           HA       CYS  40   9.044  -0.697   6.333
  277   1HB   CYS  40          HB2       CYS  40   8.411   1.499   4.748
  278   2HB   CYS  40          HB1       CYS  40   9.553   0.552   3.802
  279    HA   PRO  41           HA       PRO  41  13.397  -1.567   6.056
  280   1HB   PRO  41          HB2       PRO  41  13.183  -4.030   4.926
  281   2HB   PRO  41          HB1       PRO  41  12.950  -3.703   6.646
  282   1HG   PRO  41          HG2       PRO  41  10.912  -4.035   4.484
  283   2HG   PRO  41          HG1       PRO  41  10.898  -4.664   6.144
  284   1HD   PRO  41          HD2       PRO  41   9.471  -2.495   5.422
  285   2HD   PRO  41          HD1       PRO  41  10.203  -2.649   7.037
  286    H    SER  42           HN       SER  42  14.573  -3.078   4.091
  287    HA   SER  42           HA       SER  42  14.581  -1.266   1.872
  288   1HB   SER  42          HB2       SER  42  16.617  -2.444   2.983
  289   2HB   SER  42          HB1       SER  42  16.171  -3.783   1.932
  290    HG   SER  42           HG       SER  42  17.731  -2.191   1.092
  291    H    ASP  43           HN       ASP  43  12.145  -2.453   2.009
  292    HA   ASP  43           HA       ASP  43  12.165  -4.386  -0.137
  293   1HB   ASP  43          HB2       ASP  43   9.895  -5.036   0.611
  294   2HB   ASP  43          HB1       ASP  43  11.150  -5.306   1.823
  295    H    TYR  44           HN       TYR  44  12.536  -1.858  -0.860
  296    HA   TYR  44           HA       TYR  44  11.738  -0.132  -2.058
  297   1HB   TYR  44          HB2       TYR  44   9.878  -0.859  -3.738
  298   2HB   TYR  44          HB1       TYR  44  11.511  -1.498  -3.880
  299    HD1  TYR  44           HD1      TYR  44  11.987  -3.821  -3.307
  300    HD2  TYR  44           HD2      TYR  44   8.038  -2.256  -3.018
  301    HE1  TYR  44           HE1      TYR  44  11.089  -6.109  -3.163
  302    HE2  TYR  44           HE2      TYR  44   7.138  -4.539  -2.878
  303    HH   TYR  44           HH       TYR  44   8.439  -7.089  -3.823
  304    HA   PRO  45           HA       PRO  45   8.126   0.810   0.509
  305   1HB   PRO  45          HB2       PRO  45   9.050   3.134   1.477
  306   2HB   PRO  45          HB1       PRO  45   9.605   1.587   2.121
  307   1HG   PRO  45          HG2       PRO  45  10.946   3.417   0.181
  308   2HG   PRO  45          HG1       PRO  45  11.645   2.528   1.538
  309   1HD   PRO  45          HD2       PRO  45  11.783   1.700  -1.003
  310   2HD   PRO  45          HD1       PRO  45  11.883   0.616   0.312
  311    H    LYS  46           HN       LYS  46   7.798   1.043  -2.069
  312    HA   LYS  46           HA       LYS  46   7.186   3.869  -2.558
  313   1HB   LYS  46          HB2       LYS  46   8.514   2.037  -4.153
  314   2HB   LYS  46          HB1       LYS  46   6.903   2.096  -4.851
  315   1HG   LYS  46          HG2       LYS  46   8.040   3.730  -6.018
  316   2HG   LYS  46          HG1       LYS  46   7.206   4.659  -4.765
  317   1HD   LYS  46          HD2       LYS  46   9.303   5.549  -4.577
  318   2HD   LYS  46          HD1       LYS  46   9.447   4.214  -3.433
  319   1HE   LYS  46          HE2       LYS  46  10.671   2.905  -4.936
  320   2HE   LYS  46          HE1       LYS  46  10.193   3.882  -6.320
  321   1HZ   LYS  46          HZ1       LYS  46  11.455   5.710  -4.887
  322   2HZ   LYS  46          HZ2       LYS  46  12.247   4.716  -5.999
  323   3HZ   LYS  46          HZ3       LYS  46  12.297   4.340  -4.351
  Start of MODEL   13
    1   1H    LYS   1          HT1       LYS   1   0.988   2.973   7.465
    2   2H    LYS   1          HT2       LYS   1   1.984   4.356   7.674
    3   3H    LYS   1          HT3       LYS   1   2.636   2.783   7.900
    4    HA   LYS   1           HA       LYS   1   1.624   3.907   5.374
    5   1HB   LYS   1          HB2       LYS   1   3.961   3.977   4.723
    6   2HB   LYS   1          HB1       LYS   1   3.741   4.893   6.207
    7   1HG   LYS   1          HG2       LYS   1   4.588   2.972   7.492
    8   2HG   LYS   1          HG1       LYS   1   4.863   2.108   5.972
    9   1HD   LYS   1          HD2       LYS   1   6.728   3.284   5.500
   10   2HD   LYS   1          HD1       LYS   1   6.036   4.799   6.083
   11   1HE   LYS   1          HE2       LYS   1   6.340   3.813   8.423
   12   2HE   LYS   1          HE1       LYS   1   7.391   2.626   7.649
   13   1HZ   LYS   1          HZ1       LYS   1   8.967   4.186   7.182
   14   2HZ   LYS   1          HZ2       LYS   1   8.342   4.857   8.606
   15   3HZ   LYS   1          HZ3       LYS   1   7.867   5.470   7.102
   16    H    SER   2           HN       SER   2   2.746   2.526   3.576
   17    HA   SER   2           HA       SER   2   2.760  -0.228   4.230
   18   1HB   SER   2          HB2       SER   2   0.492  -0.072   3.613
   19   2HB   SER   2          HB1       SER   2   0.840   1.025   2.328
   20    HG   SER   2           HG       SER   2   1.608  -0.512   1.070
   21    H    CYS   3           HN       CYS   3   4.127  -1.419   2.991
   22    HA   CYS   3           HA       CYS   3   6.007  -0.021   1.379
   23   1HB   CYS   3          HB2       CYS   3   5.831  -2.589   2.639
   24   2HB   CYS   3          HB1       CYS   3   6.463  -2.721   1.000
   25    H    CYS   4           HN       CYS   4   5.226   0.666  -0.439
   26    HA   CYS   4           HA       CYS   4   3.829  -1.155  -2.194
   27   1HB   CYS   4          HB2       CYS   4   3.844   1.771  -2.040
   28   2HB   CYS   4          HB1       CYS   4   3.323   0.941  -3.505
   29    HA   PRO   5           HA       PRO   5   7.234  -1.452  -4.969
   30   1HB   PRO   5          HB2       PRO   5   5.972  -1.327  -7.401
   31   2HB   PRO   5          HB1       PRO   5   6.017  -2.768  -6.377
   32   1HG   PRO   5          HG2       PRO   5   3.853  -0.718  -6.676
   33   2HG   PRO   5          HG1       PRO   5   3.718  -2.484  -6.564
   34   1HD   PRO   5          HD2       PRO   5   3.217  -0.893  -4.458
   35   2HD   PRO   5          HD1       PRO   5   3.983  -2.480  -4.265
   36    H    ASN   6           HN       ASN   6   4.864   0.850  -6.195
   37    HA   ASN   6           HA       ASN   6   6.887   2.907  -6.186
   38   1HB   ASN   6          HB2       ASN   6   6.784   3.420  -8.550
   39   2HB   ASN   6          HB1       ASN   6   7.249   1.737  -8.356
   40   1HD2  ASN   6          HD21      ASN   6   5.300   0.228  -8.313
   41   2HD2  ASN   6          HD22      ASN   6   4.109   0.474  -9.543
   42    H    THR   7           HN       THR   7   5.891   4.989  -7.256
   43    HA   THR   7           HA       THR   7   3.769   5.831  -5.725
   44    HB   THR   7           HB       THR   7   4.527   6.862  -8.456
   45    HG1  THR   7           HG1      THR   7   5.446   7.670  -5.904
   46   1HG2  THR   7          HG21      THR   7   2.626   8.058  -8.045
   47   2HG2  THR   7          HG22      THR   7   3.835   9.072  -7.247
   48   3HG2  THR   7          HG23      THR   7   2.825   7.974  -6.297
   49    H    THR   8           HN       THR   8   3.681   3.997  -8.642
   50    HA   THR   8           HA       THR   8   1.036   4.573  -9.438
   51    HB   THR   8           HB       THR   8   2.688   2.080  -9.912
   52    HG1  THR   8           HG1      THR   8   3.538   3.118 -11.562
   53   1HG2  THR   8          HG21      THR   8   1.297   1.618 -11.795
   54   2HG2  THR   8          HG22      THR   8   0.358   3.082 -11.531
   55   3HG2  THR   8          HG23      THR   8   0.274   1.764 -10.371
   56    H    GLY   9           HN       GLY   9   2.448   2.111  -7.342
   57   1HA   GLY   9          HA2       GLY   9   0.157   0.583  -6.868
   58   2HA   GLY   9          HA1       GLY   9   1.486   0.765  -5.746
   59    H    ARG  10           HN       ARG  10   1.314   3.522  -5.287
   60    HA   ARG  10           HA       ARG  10  -0.469   3.625  -3.207
   61   1HB   ARG  10          HB2       ARG  10   1.393   5.109  -3.323
   62   2HB   ARG  10          HB1       ARG  10   0.717   5.909  -4.734
   63   1HG   ARG  10          HG2       ARG  10   0.235   7.355  -3.001
   64   2HG   ARG  10          HG1       ARG  10  -1.197   6.461  -3.217
   65   1HD   ARG  10          HD2       ARG  10  -0.476   6.765  -0.832
   66   2HD   ARG  10          HD1       ARG  10  -0.758   5.100  -1.325
   67    HE   ARG  10           HE       ARG  10   1.375   4.635  -0.994
   68   1HH1  ARG  10          HH11      ARG  10   0.914   8.098  -1.023
   69   2HH1  ARG  10          HH12      ARG  10   2.525   8.441  -0.496
   70   1HH2  ARG  10          HH21      ARG  10   3.496   5.085  -0.305
   71   2HH2  ARG  10          HH22      ARG  10   3.998   6.736  -0.092
   72    H    ASN  11           HN       ASN  11  -0.767   4.232  -6.595
   73    HA   ASN  11           HA       ASN  11  -3.130   5.793  -6.550
   74   1HB   ASN  11          HB2       ASN  11  -1.395   5.077  -8.504
   75   2HB   ASN  11          HB1       ASN  11  -2.716   3.954  -8.839
   76   1HD2  ASN  11          HD21      ASN  11  -1.722   7.279  -8.739
   77   2HD2  ASN  11          HD22      ASN  11  -3.084   7.923  -9.593
   78    H    ILE  12           HN       ILE  12  -2.584   2.331  -7.109
   79    HA   ILE  12           HA       ILE  12  -5.266   1.555  -7.258
   80    HB   ILE  12           HB       ILE  12  -2.945  -0.005  -6.201
   81   1HG1  ILE  12          HG12      ILE  12  -3.949  -0.237  -9.006
   82   2HG1  ILE  12          HG11      ILE  12  -2.932   1.072  -8.609
   83   1HG2  ILE  12          HG21      ILE  12  -4.637  -1.703  -7.515
   84   2HG2  ILE  12          HG22      ILE  12  -5.759  -0.588  -6.736
   85   3HG2  ILE  12          HG23      ILE  12  -4.568  -1.471  -5.772
   86   1HD1  ILE  12          HD11      ILE  12  -2.111  -1.659  -7.980
   87   2HD1  ILE  12          HD12      ILE  12  -1.112  -0.209  -8.060
   88   3HD1  ILE  12          HD13      ILE  12  -1.781  -0.895  -9.536
   89    H    TYR  13           HN       TYR  13  -3.022   1.673  -4.507
   90    HA   TYR  13           HA       TYR  13  -4.710   0.670  -2.537
   91   1HB   TYR  13          HB2       TYR  13  -2.151   1.719  -2.637
   92   2HB   TYR  13          HB1       TYR  13  -3.012   2.864  -1.620
   93    HD1  TYR  13           HD1      TYR  13  -1.502  -0.312  -1.802
   94    HD2  TYR  13           HD2      TYR  13  -4.181   2.014   0.376
   95    HE1  TYR  13           HE1      TYR  13  -1.249  -1.836   0.083
   96    HE2  TYR  13           HE2      TYR  13  -3.937   0.506   2.287
   97    HH   TYR  13           HH       TYR  13  -2.026  -1.099   3.077
   98    H    ASN  14           HN       ASN  14  -4.347   3.902  -3.859
   99    HA   ASN  14           HA       ASN  14  -6.101   5.184  -2.029
  100   1HB   ASN  14          HB2       ASN  14  -4.494   5.935  -4.301
  101   2HB   ASN  14          HB1       ASN  14  -6.092   6.661  -4.432
  102   1HD2  ASN  14          HD21      ASN  14  -3.119   6.581  -2.704
  103   2HD2  ASN  14          HD22      ASN  14  -3.423   7.939  -1.694
  104    H    THR  15           HN       THR  15  -6.527   3.969  -5.353
  105    HA   THR  15           HA       THR  15  -9.186   4.737  -5.708
  106    HB   THR  15           HB       THR  15  -8.503   2.091  -6.802
  107    HG1  THR  15           HG1      THR  15  -6.780   2.715  -7.952
  108   1HG2  THR  15          HG21      THR  15  -8.761   3.820  -8.899
  109   2HG2  THR  15          HG22      THR  15  -9.810   4.535  -7.679
  110   3HG2  THR  15          HG23      THR  15 -10.062   2.865  -8.186
  111    H    CYS  16           HN       CYS  16  -7.779   2.015  -4.035
  112    HA   CYS  16           HA       CYS  16 -10.255   0.679  -3.550
  113   1HB   CYS  16          HB2       CYS  16  -8.722  -0.856  -3.288
  114   2HB   CYS  16          HB1       CYS  16  -7.427   0.257  -3.066
  115    H    ARG  17           HN       ARG  17  -7.958   2.335  -1.397
  116    HA   ARG  17           HA       ARG  17  -9.444   2.351   0.828
  117   1HB   ARG  17          HB2       ARG  17  -7.221   3.858  -0.184
  118   2HB   ARG  17          HB1       ARG  17  -8.204   4.843   0.829
  119   1HG   ARG  17          HG2       ARG  17  -7.656   2.193   1.897
  120   2HG   ARG  17          HG1       ARG  17  -6.188   3.114   1.560
  121   1HD   ARG  17          HD2       ARG  17  -8.483   4.362   3.029
  122   2HD   ARG  17          HD1       ARG  17  -7.327   3.338   3.877
  123    HE   ARG  17           HE       ARG  17  -6.026   5.338   2.338
  124   1HH1  ARG  17          HH11      ARG  17  -7.744   4.817   5.327
  125   2HH1  ARG  17          HH12      ARG  17  -6.973   6.135   6.145
  126   1HH2  ARG  17          HH21      ARG  17  -5.008   7.067   3.413
  127   2HH2  ARG  17          HH22      ARG  17  -5.417   7.415   5.057
  128    H    PHE  18           HN       PHE  18  -9.443   4.856  -1.611
  129    HA   PHE  18           HA       PHE  18 -11.541   6.344  -0.403
  130   1HB   PHE  18          HB2       PHE  18 -10.224   6.453  -3.104
  131   2HB   PHE  18          HB1       PHE  18 -11.564   7.514  -2.664
  132    HD1  PHE  18           HD1      PHE  18  -8.422   6.368  -1.000
  133    HD2  PHE  18           HD2      PHE  18 -10.897   9.634  -2.151
  134    HE1  PHE  18           HE1      PHE  18  -6.839   7.926   0.025
  135    HE2  PHE  18           HE2      PHE  18  -9.314  11.205  -1.106
  136    HZ   PHE  18           HZ       PHE  18  -7.288  10.351  -0.018
  137    H    GLY  19           HN       GLY  19 -11.372   3.563  -2.350
  138   1HA   GLY  19          HA2       GLY  19 -13.982   3.882  -3.515
  139   2HA   GLY  19          HA1       GLY  19 -12.947   2.477  -3.658
  140    H    GLY  20           HN       GLY  20 -12.659   2.604  -0.620
  141   1HA   GLY  20          HA2       GLY  20 -14.157   2.209   1.159
  142   2HA   GLY  20          HA1       GLY  20 -15.315   1.556   0.061
  143    H    GLY  21           HN       GLY  21 -11.836   0.878   0.397
  144   1HA   GLY  21          HA2       GLY  21 -12.549  -1.878   0.584
  145   2HA   GLY  21          HA1       GLY  21 -11.002  -1.259   0.093
  146    H    SER  22           HN       SER  22  -9.798  -2.445   1.479
  147    HA   SER  22           HA       SER  22  -9.882  -1.520   4.252
  148   1HB   SER  22          HB2       SER  22 -10.908  -3.937   3.680
  149   2HB   SER  22          HB1       SER  22  -9.206  -4.393   3.805
  150    HG   SER  22           HG       SER  22  -9.332  -3.151   5.884
  151    H    ARG  23           HN       ARG  23  -7.725  -3.594   4.807
  152    HA   ARG  23           HA       ARG  23  -5.551  -2.082   3.594
  153   1HB   ARG  23          HB2       ARG  23  -5.693  -3.685   6.142
  154   2HB   ARG  23          HB1       ARG  23  -4.183  -3.072   5.482
  155   1HG   ARG  23          HG2       ARG  23  -6.535  -1.502   6.497
  156   2HG   ARG  23          HG1       ARG  23  -4.900  -1.569   7.162
  157   1HD   ARG  23          HD2       ARG  23  -4.797   0.324   6.027
  158   2HD   ARG  23          HD1       ARG  23  -4.255  -0.706   4.760
  159    HE   ARG  23           HE       ARG  23  -6.172  -0.249   3.588
  160   1HH1  ARG  23          HH11      ARG  23  -6.526   0.848   6.859
  161   2HH1  ARG  23          HH12      ARG  23  -8.015   1.674   6.539
  162   1HH2  ARG  23          HH21      ARG  23  -8.133   0.755   3.164
  163   2HH2  ARG  23          HH22      ARG  23  -8.925   1.622   4.438
  164    H    GLN  24           HN       GLN  24  -6.417  -5.392   4.526
  165    HA   GLN  24           HA       GLN  24  -4.280  -6.610   3.140
  166   1HB   GLN  24          HB2       GLN  24  -6.638  -7.478   4.599
  167   2HB   GLN  24          HB1       GLN  24  -6.359  -8.472   3.182
  168   1HG   GLN  24          HG2       GLN  24  -3.877  -8.438   4.135
  169   2HG   GLN  24          HG1       GLN  24  -4.756  -8.188   5.645
  170   1HE2  GLN  24          HE21      GLN  24  -4.212 -10.176   6.482
  171   2HE2  GLN  24          HE22      GLN  24  -4.867 -11.652   5.877
  172    H    VAL  25           HN       VAL  25  -7.636  -5.951   2.270
  173    HA   VAL  25           HA       VAL  25  -7.570  -7.117  -0.181
  174    HB   VAL  25           HB       VAL  25  -9.253  -4.753   0.524
  175   1HG1  VAL  25          HG11      VAL  25  -9.458  -6.848  -1.522
  176   2HG1  VAL  25          HG12      VAL  25  -9.510  -5.093  -1.687
  177   3HG1  VAL  25          HG13      VAL  25 -10.875  -5.955  -0.972
  178   1HG2  VAL  25          HG21      VAL  25 -10.961  -6.557   1.093
  179   2HG2  VAL  25          HG22      VAL  25  -9.651  -6.304   2.240
  180   3HG2  VAL  25          HG23      VAL  25  -9.597  -7.672   1.135
  181    H    CYS  26           HN       CYS  26  -6.891  -3.855   0.872
  182    HA   CYS  26           HA       CYS  26  -6.430  -2.687  -1.572
  183   1HB   CYS  26          HB2       CYS  26  -6.385  -1.851   1.019
  184   2HB   CYS  26          HB1       CYS  26  -4.757  -1.574   0.433
  185    H    ALA  27           HN       ALA  27  -4.367  -4.320   0.696
  186    HA   ALA  27           HA       ALA  27  -1.899  -3.897  -0.480
  187   1HB   ALA  27          HB1       ALA  27  -2.465  -6.461   0.874
  188   2HB   ALA  27          HB2       ALA  27  -2.472  -4.933   1.759
  189   3HB   ALA  27          HB3       ALA  27  -1.018  -5.456   0.904
  190    H    SER  28           HN       SER  28  -4.312  -6.434  -0.920
  191    HA   SER  28           HA       SER  28  -2.754  -7.844  -2.849
  192   1HB   SER  28          HB2       SER  28  -5.521  -8.086  -1.750
  193   2HB   SER  28          HB1       SER  28  -5.148  -8.895  -3.272
  194    HG   SER  28           HG       SER  28  -4.136  -9.356  -0.700
  195    H    LEU  29           HN       LEU  29  -4.531  -4.998  -2.962
  196    HA   LEU  29           HA       LEU  29  -5.311  -5.301  -5.731
  197   1HB   LEU  29          HB2       LEU  29  -6.186  -3.698  -3.505
  198   2HB   LEU  29          HB1       LEU  29  -5.829  -2.674  -4.880
  199    HG   LEU  29           HG       LEU  29  -7.305  -4.492  -6.145
  200   1HD1  LEU  29          HD11      LEU  29  -9.246  -5.035  -4.629
  201   2HD1  LEU  29          HD12      LEU  29  -8.197  -4.611  -3.280
  202   3HD1  LEU  29          HD13      LEU  29  -7.761  -5.947  -4.345
  203   1HD2  LEU  29          HD21      LEU  29  -9.308  -2.943  -5.268
  204   2HD2  LEU  29          HD22      LEU  29  -8.106  -2.403  -6.443
  205   3HD2  LEU  29          HD23      LEU  29  -7.933  -1.974  -4.743
  206    H    SER  30           HN       SER  30  -2.990  -3.625  -3.723
  207    HA   SER  30           HA       SER  30  -1.859  -2.341  -6.117
  208   1HB   SER  30          HB2       SER  30  -1.220  -1.664  -3.247
  209   2HB   SER  30          HB1       SER  30  -0.868  -0.711  -4.693
  210    HG   SER  30           HG       SER  30  -3.266  -1.043  -3.309
  211    H    GLY  31           HN       GLY  31  -1.394  -4.950  -4.041
  212   1HA   GLY  31          HA2       GLY  31   0.212  -6.524  -4.075
  213   2HA   GLY  31          HA1       GLY  31   1.085  -5.520  -5.210
  214    H    CYS  32           HN       CYS  32   0.195  -3.685  -2.555
  215    HA   CYS  32           HA       CYS  32   2.918  -3.596  -1.610
  216   1HB   CYS  32          HB2       CYS  32   0.580  -2.198  -0.338
  217   2HB   CYS  32          HB1       CYS  32   2.268  -1.718  -0.347
  218    H    LYS  33           HN       LYS  33   3.277  -3.530   0.722
  219    HA   LYS  33           HA       LYS  33   1.796  -5.718   2.016
  220   1HB   LYS  33          HB2       LYS  33   4.478  -5.741   1.264
  221   2HB   LYS  33          HB1       LYS  33   4.519  -5.393   2.989
  222   1HG   LYS  33          HG2       LYS  33   4.519  -7.647   3.111
  223   2HG   LYS  33          HG1       LYS  33   2.774  -7.415   3.015
  224   1HD   LYS  33          HD2       LYS  33   4.305  -7.653   0.482
  225   2HD   LYS  33          HD1       LYS  33   4.040  -9.120   1.429
  226   1HE   LYS  33          HE2       LYS  33   1.573  -8.352   1.482
  227   2HE   LYS  33          HE1       LYS  33   2.032  -7.315   0.147
  228   1HZ   LYS  33          HZ1       LYS  33   1.739 -10.206   0.255
  229   2HZ   LYS  33          HZ2       LYS  33   3.038  -9.627  -0.600
  230   3HZ   LYS  33          HZ3       LYS  33   1.456  -9.138  -0.959
  231    H    ILE  34           HN       ILE  34   1.008  -5.322   3.990
  232    HA   ILE  34           HA       ILE  34   1.048  -2.706   5.063
  233    HB   ILE  34           HB       ILE  34   0.269  -5.235   6.526
  234   1HG1  ILE  34          HG12      ILE  34  -0.843  -5.180   4.423
  235   2HG1  ILE  34          HG11      ILE  34  -1.950  -4.744   5.719
  236   1HG2  ILE  34          HG21      ILE  34  -0.053  -2.326   6.997
  237   2HG2  ILE  34          HG22      ILE  34   0.211  -3.628   8.145
  238   3HG2  ILE  34          HG23      ILE  34  -1.325  -3.425   7.473
  239   1HD1  ILE  34          HD11      ILE  34  -0.555  -2.721   3.987
  240   2HD1  ILE  34          HD12      ILE  34  -1.888  -2.450   5.110
  241   3HD1  ILE  34          HD13      ILE  34  -2.149  -3.376   3.641
  242    H    ILE  35           HN       ILE  35   2.328  -1.760   6.535
  243    HA   ILE  35           HA       ILE  35   4.638  -3.254   7.481
  244    HB   ILE  35           HB       ILE  35   4.894  -1.009   6.394
  245   1HG1  ILE  35          HG12      ILE  35   6.504  -0.178   8.131
  246   2HG1  ILE  35          HG11      ILE  35   5.911  -1.402   9.214
  247   1HG2  ILE  35          HG21      ILE  35   4.010   0.815   7.229
  248   2HG2  ILE  35          HG22      ILE  35   4.201   0.311   8.904
  249   3HG2  ILE  35          HG23      ILE  35   2.837  -0.234   7.946
  250   1HD1  ILE  35          HD11      ILE  35   7.303  -1.816   6.585
  251   2HD1  ILE  35          HD12      ILE  35   6.607  -3.105   7.572
  252   3HD1  ILE  35          HD13      ILE  35   7.946  -2.143   8.200
  253    H    SER  36           HN       SER  36   5.315  -3.252   9.669
  254    HA   SER  36           HA       SER  36   3.159  -2.725  11.607
  255   1HB   SER  36          HB2       SER  36   4.019  -5.214  10.983
  256   2HB   SER  36          HB1       SER  36   5.152  -4.818  12.272
  257    HG   SER  36           HG       SER  36   2.380  -5.154  12.372
  258    H    ALA  37           HN       ALA  37   5.116  -0.847  10.909
  259    HA   ALA  37           HA       ALA  37   6.116  -0.181  13.458
  260   1HB   ALA  37          HB1       ALA  37   8.404  -0.614  11.623
  261   2HB   ALA  37          HB2       ALA  37   7.722  -1.993  12.440
  262   3HB   ALA  37          HB3       ALA  37   8.342  -0.657  13.389
  263    H    SER  38           HN       SER  38   8.054   1.556  12.953
  264    HA   SER  38           HA       SER  38   6.671   3.507  11.340
  265   1HB   SER  38          HB2       SER  38   8.850   3.641  13.392
  266   2HB   SER  38          HB1       SER  38   8.596   4.995  12.301
  267    HG   SER  38           HG       SER  38   6.879   3.954  14.258
  268    H    THR  39           HN       THR  39   8.601   1.195  10.431
  269    HA   THR  39           HA       THR  39   9.826   2.786   8.317
  270    HB   THR  39           HB       THR  39  11.423   0.665   9.703
  271    HG1  THR  39           HG1      THR  39  11.068   2.187  11.281
  272   1HG2  THR  39          HG21      THR  39  12.459   1.147   7.689
  273   2HG2  THR  39          HG22      THR  39  13.301   2.172   8.848
  274   3HG2  THR  39          HG23      THR  39  12.068   2.858   7.794
  275    H    CYS  40           HN       CYS  40  10.763   1.284   6.598
  276    HA   CYS  40           HA       CYS  40   9.135  -1.052   6.390
  277   1HB   CYS  40          HB2       CYS  40   8.964   1.147   4.767
  278   2HB   CYS  40          HB1       CYS  40   9.836  -0.020   3.804
  279    HA   PRO  41           HA       PRO  41  12.957  -3.146   5.678
  280   1HB   PRO  41          HB2       PRO  41  12.049  -5.417   4.529
  281   2HB   PRO  41          HB1       PRO  41  11.791  -5.061   6.245
  282   1HG   PRO  41          HG2       PRO  41   9.909  -4.731   3.938
  283   2HG   PRO  41          HG1       PRO  41   9.597  -5.383   5.558
  284   1HD   PRO  41          HD2       PRO  41   8.960  -2.840   4.831
  285   2HD   PRO  41          HD1       PRO  41   9.386  -3.295   6.493
  286    H    SER  42           HN       SER  42  13.591  -4.850   3.616
  287    HA   SER  42           HA       SER  42  14.040  -2.992   1.453
  288   1HB   SER  42          HB2       SER  42  15.655  -4.830   2.477
  289   2HB   SER  42          HB1       SER  42  14.869  -5.860   1.286
  290    HG   SER  42           HG       SER  42  16.852  -4.251   0.861
  291    H    ASP  43           HN       ASP  43  11.371  -3.485   1.649
  292    HA   ASP  43           HA       ASP  43  10.807  -5.193  -0.571
  293   1HB   ASP  43          HB2       ASP  43   9.814  -5.933   1.545
  294   2HB   ASP  43          HB1       ASP  43   8.850  -4.465   1.512
  295    H    TYR  44           HN       TYR  44  11.657  -2.778  -1.207
  296    HA   TYR  44           HA       TYR  44  11.189  -0.783  -2.200
  297   1HB   TYR  44          HB2       TYR  44   8.827  -0.970  -3.490
  298   2HB   TYR  44          HB1       TYR  44  10.305  -1.717  -4.076
  299    HD1  TYR  44           HD1      TYR  44  10.688  -4.167  -3.633
  300    HD2  TYR  44           HD2      TYR  44   6.951  -2.270  -2.883
  301    HE1  TYR  44           HE1      TYR  44   9.580  -6.365  -3.613
  302    HE2  TYR  44           HE2      TYR  44   5.838  -4.463  -2.856
  303    HH   TYR  44           HH       TYR  44   6.947  -7.102  -4.118
  304    HA   PRO  45           HA       PRO  45   8.428   0.791   0.960
  305   1HB   PRO  45          HB2       PRO  45  10.023   2.776   1.770
  306   2HB   PRO  45          HB1       PRO  45  10.309   1.114   2.277
  307   1HG   PRO  45          HG2       PRO  45  11.668   2.697   0.186
  308   2HG   PRO  45          HG1       PRO  45  12.373   1.594   1.330
  309   1HD   PRO  45          HD2       PRO  45  11.836   0.916  -1.198
  310   2HD   PRO  45          HD1       PRO  45  11.931  -0.199   0.107
  311    H    LYS  46           HN       LYS  46   7.720   1.239  -1.524
  312    HA   LYS  46           HA       LYS  46   7.736   4.147  -1.875
  313   1HB   LYS  46          HB2       LYS  46   7.789   1.893  -3.706
  314   2HB   LYS  46          HB1       LYS  46   6.528   3.046  -4.121
  315   1HG   LYS  46          HG2       LYS  46   9.151   4.222  -3.494
  316   2HG   LYS  46          HG1       LYS  46   9.095   3.217  -4.947
  317   1HD   LYS  46          HD2       LYS  46   6.817   4.706  -5.205
  318   2HD   LYS  46          HD1       LYS  46   7.907   5.848  -4.426
  319   1HE   LYS  46          HE2       LYS  46   9.593   5.388  -6.169
  320   2HE   LYS  46          HE1       LYS  46   8.436   4.321  -6.967
  321   1HZ   LYS  46          HZ1       LYS  46   7.000   6.558  -6.731
  322   2HZ   LYS  46          HZ2       LYS  46   7.932   6.185  -8.090
  323   3HZ   LYS  46          HZ3       LYS  46   8.547   7.214  -6.904
  Start of MODEL   14
    1   1H    LYS   1          HT1       LYS   1  -1.006   3.605   5.565
    2   2H    LYS   1          HT2       LYS   1  -0.044   4.782   6.366
    3   3H    LYS   1          HT3       LYS   1   0.115   3.112   6.717
    4    HA   LYS   1           HA       LYS   1   0.510   4.248   4.044
    5   1HB   LYS   1          HB2       LYS   1   2.866   4.386   4.590
    6   2HB   LYS   1          HB1       LYS   1   1.937   5.391   5.691
    7   1HG   LYS   1          HG2       LYS   1   2.058   2.997   7.026
    8   2HG   LYS   1          HG1       LYS   1   3.636   3.094   6.246
    9   1HD   LYS   1          HD2       LYS   1   4.291   4.885   7.474
   10   2HD   LYS   1          HD1       LYS   1   2.660   5.551   7.572
   11   1HE   LYS   1          HE2       LYS   1   2.369   3.285   9.019
   12   2HE   LYS   1          HE1       LYS   1   4.052   3.677   9.361
   13   1HZ   LYS   1          HZ1       LYS   1   3.078   4.907  10.967
   14   2HZ   LYS   1          HZ2       LYS   1   1.630   5.106  10.114
   15   3HZ   LYS   1          HZ3       LYS   1   2.981   6.052   9.721
   16    H    SER   2           HN       SER   2   2.312   2.840   3.036
   17    HA   SER   2           HA       SER   2   2.506   0.148   3.889
   18   1HB   SER   2          HB2       SER   2   0.233   0.770   2.370
   19   2HB   SER   2          HB1       SER   2   1.314  -0.004   1.269
   20    HG   SER   2           HG       SER   2   0.051  -0.905   3.538
   21    H    CYS   3           HN       CYS   3   3.714  -1.125   2.291
   22    HA   CYS   3           HA       CYS   3   5.686   0.476   0.929
   23   1HB   CYS   3          HB2       CYS   3   5.804  -1.890   2.453
   24   2HB   CYS   3          HB1       CYS   3   6.547  -2.111   0.873
   25    H    CYS   4           HN       CYS   4   4.796   0.927  -0.955
   26    HA   CYS   4           HA       CYS   4   3.898  -1.237  -2.614
   27   1HB   CYS   4          HB2       CYS   4   3.434   1.639  -2.702
   28   2HB   CYS   4          HB1       CYS   4   3.221   0.674  -4.158
   29    HA   PRO   5           HA       PRO   5   7.414  -1.346  -5.242
   30   1HB   PRO   5          HB2       PRO   5   6.242  -1.197  -7.751
   31   2HB   PRO   5          HB1       PRO   5   6.411  -2.674  -6.795
   32   1HG   PRO   5          HG2       PRO   5   4.048  -0.870  -7.106
   33   2HG   PRO   5          HG1       PRO   5   4.106  -2.642  -7.004
   34   1HD   PRO   5          HD2       PRO   5   3.362  -1.145  -4.908
   35   2HD   PRO   5          HD1       PRO   5   4.317  -2.630  -4.691
   36    H    ASN   6           HN       ASN   6   5.218   0.636  -7.143
   37    HA   ASN   6           HA       ASN   6   7.144   2.824  -6.861
   38   1HB   ASN   6          HB2       ASN   6   6.972   3.358  -9.214
   39   2HB   ASN   6          HB1       ASN   6   7.472   1.678  -9.038
   40   1HD2  ASN   6          HD21      ASN   6   5.597   0.123  -9.014
   41   2HD2  ASN   6          HD22      ASN   6   4.359   0.363 -10.191
   42    H    THR   7           HN       THR   7   6.170   4.932  -7.745
   43    HA   THR   7           HA       THR   7   4.087   5.761  -6.201
   44    HB   THR   7           HB       THR   7   4.673   6.833  -8.965
   45    HG1  THR   7           HG1      THR   7   5.943   7.329  -6.482
   46   1HG2  THR   7          HG21      THR   7   2.664   7.764  -7.803
   47   2HG2  THR   7          HG22      THR   7   3.922   8.939  -8.178
   48   3HG2  THR   7          HG23      THR   7   3.741   8.335  -6.531
   49    H    THR   8           HN       THR   8   3.888   4.023  -9.188
   50    HA   THR   8           HA       THR   8   1.219   4.595  -9.858
   51    HB   THR   8           HB       THR   8   2.816   2.093 -10.421
   52    HG1  THR   8           HG1      THR   8   3.759   3.207 -11.917
   53   1HG2  THR   8          HG21      THR   8   0.402   1.800 -10.821
   54   2HG2  THR   8          HG22      THR   8   1.369   1.713 -12.290
   55   3HG2  THR   8          HG23      THR   8   0.446   3.173 -11.927
   56    H    GLY   9           HN       GLY   9   2.658   1.978  -7.960
   57   1HA   GLY   9          HA2       GLY   9   0.322   0.558  -7.392
   58   2HA   GLY   9          HA1       GLY   9   1.750   0.595  -6.370
   59    H    ARG  10           HN       ARG  10   1.797   3.300  -5.710
   60    HA   ARG  10           HA       ARG  10   0.119   3.385  -3.498
   61   1HB   ARG  10          HB2       ARG  10   1.818   5.338  -4.914
   62   2HB   ARG  10          HB1       ARG  10   0.578   6.007  -3.861
   63   1HG   ARG  10          HG2       ARG  10   2.590   3.948  -2.989
   64   2HG   ARG  10          HG1       ARG  10   2.802   5.687  -2.785
   65   1HD   ARG  10          HD2       ARG  10   0.239   4.670  -1.820
   66   2HD   ARG  10          HD1       ARG  10   1.623   4.016  -0.970
   67    HE   ARG  10           HE       ARG  10   1.950   6.779  -1.176
   68   1HH1  ARG  10          HH11      ARG  10  -0.041   4.467   0.339
   69   2HH1  ARG  10          HH12      ARG  10  -0.370   5.505   1.685
   70   1HH2  ARG  10          HH21      ARG  10   1.522   8.147   0.508
   71   2HH2  ARG  10          HH22      ARG  10   0.491   7.592   1.783
   72    H    ASN  11           HN       ASN  11  -0.345   4.226  -6.808
   73    HA   ASN  11           HA       ASN  11  -2.602   5.902  -6.459
   74   1HB   ASN  11          HB2       ASN  11  -1.066   5.227  -8.598
   75   2HB   ASN  11          HB1       ASN  11  -2.491   4.240  -8.903
   76   1HD2  ASN  11          HD21      ASN  11  -1.319   7.502  -8.439
   77   2HD2  ASN  11          HD22      ASN  11  -2.646   8.292  -9.207
   78    H    ILE  12           HN       ILE  12  -2.260   2.462  -7.254
   79    HA   ILE  12           HA       ILE  12  -5.000   1.830  -7.240
   80    HB   ILE  12           HB       ILE  12  -2.751   0.009  -6.455
   81   1HG1  ILE  12          HG12      ILE  12  -3.679  -0.055  -9.238
   82   2HG1  ILE  12          HG11      ILE  12  -2.884   1.390  -8.817
   83   1HG2  ILE  12          HG21      ILE  12  -4.222  -1.682  -7.362
   84   2HG2  ILE  12          HG22      ILE  12  -5.447  -0.467  -7.718
   85   3HG2  ILE  12          HG23      ILE  12  -4.993  -0.803  -6.041
   86   1HD1  ILE  12          HD11      ILE  12  -1.355  -0.702  -7.792
   87   2HD1  ILE  12          HD12      ILE  12  -0.905   0.436  -8.979
   88   3HD1  ILE  12          HD13      ILE  12  -1.698  -0.966  -9.503
   89    H    TYR  13           HN       TYR  13  -2.531   1.679  -4.698
   90    HA   TYR  13           HA       TYR  13  -4.102   0.603  -2.656
   91   1HB   TYR  13          HB2       TYR  13  -1.507   1.533  -2.912
   92   2HB   TYR  13          HB1       TYR  13  -2.218   2.637  -1.747
   93    HD1  TYR  13           HD1      TYR  13  -2.189  -0.960  -2.412
   94    HD2  TYR  13           HD2      TYR  13  -1.968   2.076   0.384
   95    HE1  TYR  13           HE1      TYR  13  -1.868  -2.630  -0.637
   96    HE2  TYR  13           HE2      TYR  13  -1.651   0.417   2.170
   97    HH   TYR  13           HH       TYR  13  -0.985  -2.807   1.513
   98    H    ASN  14           HN       ASN  14  -3.684   3.891  -3.799
   99    HA   ASN  14           HA       ASN  14  -5.180   5.137  -1.745
  100   1HB   ASN  14          HB2       ASN  14  -3.822   5.922  -4.192
  101   2HB   ASN  14          HB1       ASN  14  -5.335   6.793  -3.981
  102   1HD2  ASN  14          HD21      ASN  14  -2.119   6.375  -2.906
  103   2HD2  ASN  14          HD22      ASN  14  -2.119   7.616  -1.710
  104    H    THR  15           HN       THR  15  -5.988   4.160  -5.087
  105    HA   THR  15           HA       THR  15  -8.637   5.050  -5.093
  106    HB   THR  15           HB       THR  15  -8.171   2.486  -6.462
  107    HG1  THR  15           HG1      THR  15  -6.582   3.187  -7.771
  108   1HG2  THR  15          HG21      THR  15  -8.612   4.327  -8.395
  109   2HG2  THR  15          HG22      THR  15  -9.435   5.063  -7.020
  110   3HG2  THR  15          HG23      THR  15  -9.874   3.437  -7.547
  111    H    CYS  16           HN       CYS  16  -7.158   2.188  -3.768
  112    HA   CYS  16           HA       CYS  16  -9.564   0.798  -3.173
  113   1HB   CYS  16          HB2       CYS  16  -7.878  -0.639  -3.145
  114   2HB   CYS  16          HB1       CYS  16  -6.680   0.472  -2.678
  115    H    ARG  17           HN       ARG  17  -7.223   2.457  -1.062
  116    HA   ARG  17           HA       ARG  17  -8.583   2.365   1.220
  117   1HB   ARG  17          HB2       ARG  17  -6.508   4.003   0.083
  118   2HB   ARG  17          HB1       ARG  17  -7.457   4.890   1.234
  119   1HG   ARG  17          HG2       ARG  17  -6.614   2.188   2.036
  120   2HG   ARG  17          HG1       ARG  17  -5.321   3.369   1.828
  121   1HD   ARG  17          HD2       ARG  17  -7.459   4.612   3.238
  122   2HD   ARG  17          HD1       ARG  17  -7.112   3.069   4.009
  123    HE   ARG  17           HE       ARG  17  -4.763   4.631   3.459
  124   1HH1  ARG  17          HH11      ARG  17  -7.337   4.051   5.742
  125   2HH1  ARG  17          HH12      ARG  17  -6.448   4.656   7.094
  126   1HH2  ARG  17          HH21      ARG  17  -3.587   5.433   5.235
  127   2HH2  ARG  17          HH22      ARG  17  -4.316   5.445   6.808
  128    H    PHE  18           HN       PHE  18  -8.845   4.925  -1.145
  129    HA   PHE  18           HA       PHE  18 -10.918   6.291   0.189
  130   1HB   PHE  18          HB2       PHE  18  -9.792   6.540  -2.549
  131   2HB   PHE  18          HB1       PHE  18 -11.124   7.539  -1.977
  132    HD1  PHE  18           HD1      PHE  18  -7.730   6.488  -0.830
  133    HD2  PHE  18           HD2      PHE  18 -10.586   9.617  -1.187
  134    HE1  PHE  18           HE1      PHE  18  -6.119   8.058   0.106
  135    HE2  PHE  18           HE2      PHE  18  -8.980  11.199  -0.204
  136    HZ   PHE  18           HZ       PHE  18  -6.744  10.421   0.403
  137    H    GLY  19           HN       GLY  19 -10.759   3.596  -1.850
  138   1HA   GLY  19          HA2       GLY  19 -13.438   3.854  -2.840
  139   2HA   GLY  19          HA1       GLY  19 -12.359   2.498  -3.103
  140    H    GLY  20           HN       GLY  20 -11.910   2.517  -0.074
  141   1HA   GLY  20          HA2       GLY  20 -13.340   1.987   1.745
  142   2HA   GLY  20          HA1       GLY  20 -14.472   1.257   0.626
  143    H    GLY  21           HN       GLY  21 -10.945   0.888   0.828
  144   1HA   GLY  21          HA2       GLY  21 -11.342  -1.924   0.881
  145   2HA   GLY  21          HA1       GLY  21  -9.842  -1.091   0.503
  146    H    SER  22           HN       SER  22  -8.382  -1.707   1.932
  147    HA   SER  22           HA       SER  22  -8.485  -1.009   4.647
  148   1HB   SER  22          HB2       SER  22 -10.124  -2.881   4.734
  149   2HB   SER  22          HB1       SER  22  -8.861  -3.966   4.148
  150    HG   SER  22           HG       SER  22  -8.967  -4.056   6.400
  151    H    ARG  23           HN       ARG  23  -6.992  -3.788   4.996
  152    HA   ARG  23           HA       ARG  23  -4.459  -2.756   4.007
  153   1HB   ARG  23          HB2       ARG  23  -5.251  -3.972   6.525
  154   2HB   ARG  23          HB1       ARG  23  -3.852  -4.767   5.821
  155   1HG   ARG  23          HG2       ARG  23  -2.995  -3.101   7.221
  156   2HG   ARG  23          HG1       ARG  23  -2.825  -2.476   5.576
  157   1HD   ARG  23          HD2       ARG  23  -5.240  -1.845   7.226
  158   2HD   ARG  23          HD1       ARG  23  -3.748  -0.932   7.413
  159    HE   ARG  23           HE       ARG  23  -4.710  -1.151   4.695
  160   1HH1  ARG  23          HH11      ARG  23  -4.734   0.653   7.641
  161   2HH1  ARG  23          HH12      ARG  23  -5.170   2.115   6.844
  162   1HH2  ARG  23          HH21      ARG  23  -5.286   0.698   3.654
  163   2HH2  ARG  23          HH22      ARG  23  -5.483   2.147   4.579
  164    H    GLN  24           HN       GLN  24  -5.927  -5.911   4.706
  165    HA   GLN  24           HA       GLN  24  -4.195  -7.289   2.935
  166   1HB   GLN  24          HB2       GLN  24  -6.435  -7.944   4.671
  167   2HB   GLN  24          HB1       GLN  24  -6.520  -8.833   3.157
  168   1HG   GLN  24          HG2       GLN  24  -3.955  -9.249   3.716
  169   2HG   GLN  24          HG1       GLN  24  -4.560  -9.023   5.361
  170   1HE2  GLN  24          HE21      GLN  24  -3.944 -11.248   5.670
  171   2HE2  GLN  24          HE22      GLN  24  -5.007 -12.510   5.170
  172    H    VAL  25           HN       VAL  25  -7.395  -5.879   2.619
  173    HA   VAL  25           HA       VAL  25  -7.920  -6.865   0.082
  174    HB   VAL  25           HB       VAL  25  -9.042  -4.343   1.244
  175   1HG1  VAL  25          HG11      VAL  25  -9.757  -6.072  -0.981
  176   2HG1  VAL  25          HG12      VAL  25  -9.800  -4.315  -0.828
  177   3HG1  VAL  25          HG13      VAL  25 -11.061  -5.299  -0.076
  178   1HG2  VAL  25          HG21      VAL  25 -10.951  -5.928   1.903
  179   2HG2  VAL  25          HG22      VAL  25  -9.491  -5.929   2.892
  180   3HG2  VAL  25          HG23      VAL  25  -9.763  -7.213   1.712
  181    H    CYS  26           HN       CYS  26  -6.419  -3.928   1.263
  182    HA   CYS  26           HA       CYS  26  -6.156  -2.711  -1.227
  183   1HB   CYS  26          HB2       CYS  26  -5.686  -1.970   1.365
  184   2HB   CYS  26          HB1       CYS  26  -4.141  -1.826   0.548
  185    H    ALA  27           HN       ALA  27  -4.178  -4.741   0.765
  186    HA   ALA  27           HA       ALA  27  -1.794  -4.628  -0.653
  187   1HB   ALA  27          HB1       ALA  27  -1.749  -7.132   0.391
  188   2HB   ALA  27          HB2       ALA  27  -2.867  -6.256   1.444
  189   3HB   ALA  27          HB3       ALA  27  -1.227  -5.645   1.186
  190    H    SER  28           HN       SER  28  -4.668  -6.628  -0.904
  191    HA   SER  28           HA       SER  28  -3.544  -8.264  -2.978
  192   1HB   SER  28          HB2       SER  28  -5.509  -8.735  -1.216
  193   2HB   SER  28          HB1       SER  28  -6.483  -8.187  -2.580
  194    HG   SER  28           HG       SER  28  -6.140 -10.443  -2.634
  195    H    LEU  29           HN       LEU  29  -4.732  -5.158  -2.876
  196    HA   LEU  29           HA       LEU  29  -5.878  -5.238  -5.536
  197   1HB   LEU  29          HB2       LEU  29  -6.192  -3.562  -3.212
  198   2HB   LEU  29          HB1       LEU  29  -5.815  -2.588  -4.626
  199    HG   LEU  29           HG       LEU  29  -7.775  -4.334  -5.537
  200   1HD1  LEU  29          HD11      LEU  29  -9.604  -3.849  -3.822
  201   2HD1  LEU  29          HD12      LEU  29  -8.289  -3.550  -2.688
  202   3HD1  LEU  29          HD13      LEU  29  -8.448  -5.134  -3.446
  203   1HD2  LEU  29          HD21      LEU  29  -9.160  -2.074  -4.942
  204   2HD2  LEU  29          HD22      LEU  29  -8.120  -2.275  -6.354
  205   3HD2  LEU  29          HD23      LEU  29  -7.504  -1.483  -4.909
  206    H    SER  30           HN       SER  30  -3.091  -4.043  -3.782
  207    HA   SER  30           HA       SER  30  -1.948  -3.148  -6.353
  208   1HB   SER  30          HB2       SER  30  -1.130  -2.021  -3.684
  209   2HB   SER  30          HB1       SER  30  -0.833  -1.352  -5.287
  210    HG   SER  30           HG       SER  30  -3.440  -1.556  -5.054
  211    H    GLY  31           HN       GLY  31  -1.797  -5.601  -4.254
  212   1HA   GLY  31          HA2       GLY  31  -0.232  -7.178  -3.726
  213   2HA   GLY  31          HA1       GLY  31   0.526  -6.644  -5.176
  214    H    CYS  32           HN       CYS  32   0.039  -4.315  -2.669
  215    HA   CYS  32           HA       CYS  32   2.883  -4.121  -2.268
  216   1HB   CYS  32          HB2       CYS  32   0.693  -2.500  -0.981
  217   2HB   CYS  32          HB1       CYS  32   2.403  -2.106  -1.042
  218    H    LYS  33           HN       LYS  33   3.554  -3.600   0.003
  219    HA   LYS  33           HA       LYS  33   2.671  -5.848   1.640
  220   1HB   LYS  33          HB2       LYS  33   5.210  -4.974   0.921
  221   2HB   LYS  33          HB1       LYS  33   5.030  -4.440   2.581
  222   1HG   LYS  33          HG2       LYS  33   5.844  -6.503   2.998
  223   2HG   LYS  33          HG1       LYS  33   4.139  -6.944   2.845
  224   1HD   LYS  33          HD2       LYS  33   5.892  -6.912   0.426
  225   2HD   LYS  33          HD1       LYS  33   5.951  -8.281   1.536
  226   1HE   LYS  33          HE2       LYS  33   3.281  -8.012   1.238
  227   2HE   LYS  33          HE1       LYS  33   3.831  -7.436  -0.261
  228   1HZ   LYS  33          HZ1       LYS  33   4.078 -10.103   0.864
  229   2HZ   LYS  33          HZ2       LYS  33   5.273  -9.596  -0.154
  230   3HZ   LYS  33          HZ3       LYS  33   3.656  -9.667  -0.631
  231    H    ILE  34           HN       ILE  34   2.125  -5.584   3.794
  232    HA   ILE  34           HA       ILE  34   1.124  -2.938   4.469
  233    HB   ILE  34           HB       ILE  34   0.854  -5.466   6.082
  234   1HG1  ILE  34          HG12      ILE  34   0.004  -5.865   3.860
  235   2HG1  ILE  34          HG11      ILE  34  -1.290  -5.695   5.012
  236   1HG2  ILE  34          HG21      ILE  34  -0.242  -2.738   6.210
  237   2HG2  ILE  34          HG22      ILE  34   0.227  -3.803   7.510
  238   3HG2  ILE  34          HG23      ILE  34  -1.236  -4.115   6.691
  239   1HD1  ILE  34          HD11      ILE  34  -0.323  -3.433   3.285
  240   2HD1  ILE  34          HD12      ILE  34  -1.814  -3.530   4.227
  241   3HD1  ILE  34          HD13      ILE  34  -1.600  -4.550   2.800
  242    H    ILE  35           HN       ILE  35   1.981  -1.603   5.947
  243    HA   ILE  35           HA       ILE  35   4.589  -1.992   6.929
  244    HB   ILE  35           HB       ILE  35   3.623   0.166   6.594
  245   1HG1  ILE  35          HG12      ILE  35   4.126   0.164   9.525
  246   2HG1  ILE  35          HG11      ILE  35   5.379  -0.484   8.507
  247   1HG2  ILE  35          HG21      ILE  35   2.018   1.073   8.206
  248   2HG2  ILE  35          HG22      ILE  35   1.905  -0.428   8.984
  249   3HG2  ILE  35          HG23      ILE  35   1.351  -0.229   7.322
  250   1HD1  ILE  35          HD11      ILE  35   5.560   1.918   9.100
  251   2HD1  ILE  35          HD12      ILE  35   4.255   2.158   7.941
  252   3HD1  ILE  35          HD13      ILE  35   5.784   1.458   7.414
  253    H    SER  36           HN       SER  36   5.390  -2.766   8.799
  254    HA   SER  36           HA       SER  36   3.461  -3.673  10.838
  255   1HB   SER  36          HB2       SER  36   4.687  -5.453   9.365
  256   2HB   SER  36          HB1       SER  36   6.075  -5.080  10.384
  257    HG   SER  36           HG       SER  36   3.527  -5.936  11.292
  258    H    ALA  37           HN       ALA  37   4.955  -1.160  10.672
  259    HA   ALA  37           HA       ALA  37   5.803  -0.965  13.343
  260   1HB   ALA  37          HB1       ALA  37   8.174  -0.654  11.564
  261   2HB   ALA  37          HB2       ALA  37   7.722  -2.258  12.109
  262   3HB   ALA  37          HB3       ALA  37   8.098  -1.017  13.292
  263    H    SER  38           HN       SER  38   7.657   1.057  13.122
  264    HA   SER  38           HA       SER  38   5.900   3.148  12.215
  265   1HB   SER  38          HB2       SER  38   8.272   2.989  13.984
  266   2HB   SER  38          HB1       SER  38   8.007   4.520  13.145
  267    HG   SER  38           HG       SER  38   6.174   3.156  14.836
  268    H    THR  39           HN       THR  39   7.823   1.311  10.520
  269    HA   THR  39           HA       THR  39   8.497   3.431   8.642
  270    HB   THR  39           HB       THR  39  10.511   1.303   9.289
  271    HG1  THR  39           HG1      THR  39  10.206   2.505  11.176
  272   1HG2  THR  39          HG21      THR  39  11.287   2.215   7.372
  273   2HG2  THR  39          HG22      THR  39  11.989   3.347   8.527
  274   3HG2  THR  39          HG23      THR  39  10.513   3.773   7.668
  275    H    CYS  40           HN       CYS  40   9.285   2.412   6.525
  276    HA   CYS  40           HA       CYS  40   7.384   0.386   5.789
  277   1HB   CYS  40          HB2       CYS  40   8.374   2.530   4.466
  278   2HB   CYS  40          HB1       CYS  40   9.376   1.252   3.794
  279    HA   PRO  41           HA       PRO  41  10.230  -2.919   6.295
  280   1HB   PRO  41          HB2       PRO  41   8.894  -4.765   4.801
  281   2HB   PRO  41          HB1       PRO  41   8.414  -4.315   6.439
  282   1HG   PRO  41          HG2       PRO  41   7.316  -3.374   3.818
  283   2HG   PRO  41          HG1       PRO  41   6.448  -3.836   5.295
  284   1HD   PRO  41          HD2       PRO  41   6.871  -1.258   4.633
  285   2HD   PRO  41          HD1       PRO  41   6.862  -1.805   6.321
  286    H    SER  42           HN       SER  42  10.982  -4.788   4.605
  287    HA   SER  42           HA       SER  42  12.443  -3.330   2.583
  288   1HB   SER  42          HB2       SER  42  13.217  -5.344   4.140
  289   2HB   SER  42          HB1       SER  42  12.605  -6.306   2.796
  290    HG   SER  42           HG       SER  42  14.550  -4.243   2.635
  291    H    ASP  43           HN       ASP  43   9.783  -3.241   1.998
  292    HA   ASP  43           HA       ASP  43   9.573  -4.986  -0.266
  293   1HB   ASP  43          HB2       ASP  43   7.244  -3.942   1.273
  294   2HB   ASP  43          HB1       ASP  43   7.177  -5.084  -0.011
  295    H    TYR  44           HN       TYR  44  10.885  -2.737  -0.678
  296    HA   TYR  44           HA       TYR  44  10.971  -0.769  -1.809
  297   1HB   TYR  44          HB2       TYR  44   8.696  -0.771  -3.447
  298   2HB   TYR  44          HB1       TYR  44  10.301  -1.359  -3.861
  299    HD1  TYR  44           HD1      TYR  44  10.823  -3.824  -3.349
  300    HD2  TYR  44           HD2      TYR  44   6.879  -2.236  -3.399
  301    HE1  TYR  44           HE1      TYR  44   9.921  -6.089  -3.642
  302    HE2  TYR  44           HE2      TYR  44   5.962  -4.501  -3.687
  303    HH   TYR  44           HH       TYR  44   6.680  -6.681  -4.508
  304    HA   PRO  45           HA       PRO  45   8.066   1.509   0.682
  305   1HB   PRO  45          HB2       PRO  45   9.720   3.558   1.207
  306   2HB   PRO  45          HB1       PRO  45   9.872   2.002   2.034
  307   1HG   PRO  45          HG2       PRO  45  11.448   3.084  -0.200
  308   2HG   PRO  45          HG1       PRO  45  12.018   2.207   1.166
  309   1HD   PRO  45          HD2       PRO  45  11.631   1.035  -1.196
  310   2HD   PRO  45          HD1       PRO  45  11.511   0.177   0.266
  311    H    LYS  46           HN       LYS  46   7.399   1.550  -1.809
  312    HA   LYS  46           HA       LYS  46   7.284   4.411  -2.452
  313   1HB   LYS  46          HB2       LYS  46   8.450   2.309  -4.030
  314   2HB   LYS  46          HB1       LYS  46   7.065   2.980  -4.880
  315   1HG   LYS  46          HG2       LYS  46   8.861   4.247  -5.625
  316   2HG   LYS  46          HG1       LYS  46   8.100   5.264  -4.398
  317   1HD   LYS  46          HD2       LYS  46  10.221   5.454  -3.644
  318   2HD   LYS  46          HD1       LYS  46   9.843   3.918  -2.857
  319   1HE   LYS  46          HE2       LYS  46  11.179   2.720  -4.246
  320   2HE   LYS  46          HE1       LYS  46  10.852   3.763  -5.630
  321   1HZ   LYS  46          HZ1       LYS  46  12.336   5.415  -4.694
  322   2HZ   LYS  46          HZ2       LYS  46  13.144   3.938  -4.893
  323   3HZ   LYS  46          HZ3       LYS  46  12.641   4.430  -3.352
  Start of MODEL   15
    1   1H    LYS   1          HT1       LYS   1  -0.965   2.328   5.577
    2   2H    LYS   1          HT2       LYS   1  -0.086   3.635   6.253
    3   3H    LYS   1          HT3       LYS   1   0.323   2.018   6.617
    4    HA   LYS   1           HA       LYS   1   0.329   3.083   3.886
    5   1HB   LYS   1          HB2       LYS   1   2.658   3.579   4.188
    6   2HB   LYS   1          HB1       LYS   1   1.705   4.493   5.347
    7   1HG   LYS   1          HG2       LYS   1   2.641   1.897   6.328
    8   2HG   LYS   1          HG1       LYS   1   3.929   3.042   5.938
    9   1HD   LYS   1          HD2       LYS   1   3.320   4.500   7.586
   10   2HD   LYS   1          HD1       LYS   1   1.615   4.050   7.506
   11   1HE   LYS   1          HE2       LYS   1   3.431   1.924   8.413
   12   2HE   LYS   1          HE1       LYS   1   3.297   3.319   9.493
   13   1HZ   LYS   1          HZ1       LYS   1   1.672   1.599  10.013
   14   2HZ   LYS   1          HZ2       LYS   1   1.023   1.712   8.454
   15   3HZ   LYS   1          HZ3       LYS   1   0.924   3.023   9.519
   16    H    SER   2           HN       SER   2   2.219   1.902   2.773
   17    HA   SER   2           HA       SER   2   2.745  -0.709   3.703
   18   1HB   SER   2          HB2       SER   2   0.738  -0.194   1.555
   19   2HB   SER   2          HB1       SER   2   1.794  -1.574   1.402
   20    HG   SER   2           HG       SER   2   0.030  -0.977   3.504
   21    H    CYS   3           HN       CYS   3   4.140  -1.895   2.163
   22    HA   CYS   3           HA       CYS   3   5.919  -0.055   0.789
   23   1HB   CYS   3          HB2       CYS   3   6.302  -2.471   2.312
   24   2HB   CYS   3          HB1       CYS   3   7.167  -2.501   0.782
   25    H    CYS   4           HN       CYS   4   5.355   0.194  -1.207
   26    HA   CYS   4           HA       CYS   4   4.811  -2.142  -2.824
   27   1HB   CYS   4          HB2       CYS   4   3.072  -0.094  -2.409
   28   2HB   CYS   4          HB1       CYS   4   3.856   0.357  -3.903
   29    HA   PRO   5           HA       PRO   5   8.448  -1.542  -5.240
   30   1HB   PRO   5          HB2       PRO   5   7.045  -1.613  -7.741
   31   2HB   PRO   5          HB1       PRO   5   7.977  -2.897  -6.979
   32   1HG   PRO   5          HG2       PRO   5   5.059  -2.436  -6.970
   33   2HG   PRO   5          HG1       PRO   5   5.962  -3.946  -6.776
   34   1HD   PRO   5          HD2       PRO   5   4.715  -2.783  -4.707
   35   2HD   PRO   5          HD1       PRO   5   6.274  -3.609  -4.502
   36    H    ASN   6           HN       ASN   6   5.907  -0.085  -7.243
   37    HA   ASN   6           HA       ASN   6   7.472   2.368  -7.167
   38   1HB   ASN   6          HB2       ASN   6   6.136   2.796  -9.380
   39   2HB   ASN   6          HB1       ASN   6   7.547   1.741  -9.393
   40   1HD2  ASN   6          HD21      ASN   6   4.061   1.511  -8.745
   41   2HD2  ASN   6          HD22      ASN   6   3.820   0.060  -9.642
   42    H    THR   7           HN       THR   7   6.304   4.378  -7.338
   43    HA   THR   7           HA       THR   7   4.336   4.722  -5.445
   44    HB   THR   7           HB       THR   7   4.788   6.454  -7.879
   45    HG1  THR   7           HG1      THR   7   5.982   6.656  -5.319
   46   1HG2  THR   7          HG21      THR   7   2.945   7.429  -6.957
   47   2HG2  THR   7          HG22      THR   7   4.233   8.239  -6.053
   48   3HG2  THR   7          HG23      THR   7   3.346   6.904  -5.321
   49    H    THR   8           HN       THR   8   3.999   3.623  -8.681
   50    HA   THR   8           HA       THR   8   1.387   4.320  -9.294
   51    HB   THR   8           HB       THR   8   2.262   1.563  -9.978
   52    HG1  THR   8           HG1      THR   8   3.609   3.899 -10.855
   53   1HG2  THR   8          HG21      THR   8   1.713   2.409 -12.292
   54   2HG2  THR   8          HG22      THR   8   1.103   3.871 -11.511
   55   3HG2  THR   8          HG23      THR   8   0.364   2.307 -11.160
   56    H    GLY   9           HN       GLY   9   2.609   1.592  -7.410
   57   1HA   GLY   9          HA2       GLY   9   0.163   0.303  -6.947
   58   2HA   GLY   9          HA1       GLY   9   1.565   0.222  -5.898
   59    H    ARG  10           HN       ARG  10   1.738   2.969  -5.274
   60    HA   ARG  10           HA       ARG  10   0.078   3.129  -3.056
   61   1HB   ARG  10          HB2       ARG  10   2.004   4.839  -4.369
   62   2HB   ARG  10          HB1       ARG  10   0.713   5.768  -3.668
   63   1HG   ARG  10          HG2       ARG  10   2.031   3.661  -2.037
   64   2HG   ARG  10          HG1       ARG  10   2.830   5.218  -2.282
   65   1HD   ARG  10          HD2       ARG  10   1.650   5.660  -0.369
   66   2HD   ARG  10          HD1       ARG  10   0.508   6.163  -1.590
   67    HE   ARG  10           HE       ARG  10  -0.022   3.541  -1.168
   68   1HH1  ARG  10          HH11      ARG  10   0.221   6.338   0.842
   69   2HH1  ARG  10          HH12      ARG  10  -0.897   5.765   1.983
   70   1HH2  ARG  10          HH21      ARG  10  -1.546   2.775   0.310
   71   2HH2  ARG  10          HH22      ARG  10  -1.921   3.742   1.673
   72    H    ASN  11           HN       ASN  11  -0.331   3.988  -6.376
   73    HA   ASN  11           HA       ASN  11  -2.500   5.786  -6.062
   74   1HB   ASN  11          HB2       ASN  11  -0.973   5.063  -8.170
   75   2HB   ASN  11          HB1       ASN  11  -2.410   4.094  -8.495
   76   1HD2  ASN  11          HD21      ASN  11  -1.184   7.336  -8.067
   77   2HD2  ASN  11          HD22      ASN  11  -2.492   8.144  -8.846
   78    H    ILE  12           HN       ILE  12  -2.372   2.347  -6.929
   79    HA   ILE  12           HA       ILE  12  -5.131   1.869  -6.925
   80    HB   ILE  12           HB       ILE  12  -2.960  -0.020  -6.148
   81   1HG1  ILE  12          HG12      ILE  12  -4.035  -0.028  -8.902
   82   2HG1  ILE  12          HG11      ILE  12  -3.037   1.296  -8.494
   83   1HG2  ILE  12          HG21      ILE  12  -4.871  -1.411  -7.516
   84   2HG2  ILE  12          HG22      ILE  12  -5.839  -0.241  -6.624
   85   3HG2  ILE  12          HG23      ILE  12  -4.745  -1.319  -5.759
   86   1HD1  ILE  12          HD11      ILE  12  -1.778  -1.040  -7.574
   87   2HD1  ILE  12          HD12      ILE  12  -1.197   0.121  -8.729
   88   3HD1  ILE  12          HD13      ILE  12  -2.194  -1.180  -9.284
   89    H    TYR  13           HN       TYR  13  -2.712   1.534  -4.352
   90    HA   TYR  13           HA       TYR  13  -4.354   0.541  -2.332
   91   1HB   TYR  13          HB2       TYR  13  -1.717   1.333  -2.542
   92   2HB   TYR  13          HB1       TYR  13  -2.384   2.508  -1.418
   93    HD1  TYR  13           HD1      TYR  13  -1.216  -0.790  -1.834
   94    HD2  TYR  13           HD2      TYR  13  -3.534   1.673   0.604
   95    HE1  TYR  13           HE1      TYR  13  -1.010  -2.423  -0.008
   96    HE2  TYR  13           HE2      TYR  13  -3.338   0.056   2.438
   97    HH   TYR  13           HH       TYR  13  -2.908  -2.316   2.710
   98    H    ASN  14           HN       ASN  14  -3.734   3.831  -3.422
   99    HA   ASN  14           HA       ASN  14  -5.244   5.109  -1.389
  100   1HB   ASN  14          HB2       ASN  14  -3.715   5.897  -3.702
  101   2HB   ASN  14          HB1       ASN  14  -5.244   6.764  -3.677
  102   1HD2  ASN  14          HD21      ASN  14  -2.129   6.527  -2.390
  103   2HD2  ASN  14          HD22      ASN  14  -2.272   7.738  -1.168
  104    H    THR  15           HN       THR  15  -6.003   4.246  -4.764
  105    HA   THR  15           HA       THR  15  -8.594   5.272  -4.841
  106    HB   THR  15           HB       THR  15  -8.204   2.710  -6.236
  107    HG1  THR  15           HG1      THR  15  -6.570   3.400  -7.524
  108   1HG2  THR  15          HG21      THR  15  -8.520   4.557  -8.160
  109   2HG2  THR  15          HG22      THR  15  -9.314   5.365  -6.809
  110   3HG2  THR  15          HG23      THR  15  -9.855   3.764  -7.319
  111    H    CYS  16           HN       CYS  16  -7.334   2.319  -3.495
  112    HA   CYS  16           HA       CYS  16  -9.874   1.117  -2.997
  113   1HB   CYS  16          HB2       CYS  16  -8.389  -0.516  -3.017
  114   2HB   CYS  16          HB1       CYS  16  -7.045   0.478  -2.606
  115    H    ARG  17           HN       ARG  17  -7.378   2.466  -0.864
  116    HA   ARG  17           HA       ARG  17  -8.752   2.367   1.452
  117   1HB   ARG  17          HB2       ARG  17  -6.493   3.821   0.414
  118   2HB   ARG  17          HB1       ARG  17  -7.360   4.769   1.585
  119   1HG   ARG  17          HG2       ARG  17  -6.957   2.032   2.444
  120   2HG   ARG  17          HG1       ARG  17  -5.437   2.850   2.076
  121   1HD   ARG  17          HD2       ARG  17  -7.575   3.710   4.016
  122   2HD   ARG  17          HD1       ARG  17  -5.921   3.218   4.382
  123    HE   ARG  17           HE       ARG  17  -5.747   5.401   2.692
  124   1HH1  ARG  17          HH11      ARG  17  -7.001   4.711   5.877
  125   2HH1  ARG  17          HH12      ARG  17  -6.737   6.318   6.463
  126   1HH2  ARG  17          HH21      ARG  17  -5.395   7.515   3.468
  127   2HH2  ARG  17          HH22      ARG  17  -5.826   7.915   5.099
  128    H    PHE  18           HN       PHE  18  -8.716   5.068  -0.782
  129    HA   PHE  18           HA       PHE  18 -10.733   6.495   0.632
  130   1HB   PHE  18          HB2       PHE  18  -9.420   6.975  -2.003
  131   2HB   PHE  18          HB1       PHE  18 -10.640   8.043  -1.321
  132    HD1  PHE  18           HD1      PHE  18  -7.375   6.480  -0.436
  133    HD2  PHE  18           HD2      PHE  18  -9.958   9.836  -0.064
  134    HE1  PHE  18           HE1      PHE  18  -5.624   7.678   0.762
  135    HE2  PHE  18           HE2      PHE  18  -8.214  11.046   1.143
  136    HZ   PHE  18           HZ       PHE  18  -6.045   9.969   1.556
  137    H    GLY  19           HN       GLY  19 -10.751   3.919  -1.472
  138   1HA   GLY  19          HA2       GLY  19 -13.329   4.621  -2.621
  139   2HA   GLY  19          HA1       GLY  19 -12.332   3.267  -3.097
  140    H    GLY  20           HN       GLY  20 -11.999   2.696  -0.099
  141   1HA   GLY  20          HA2       GLY  20 -13.663   2.008   1.529
  142   2HA   GLY  20          HA1       GLY  20 -14.640   1.419   0.227
  143    H    GLY  21           HN       GLY  21 -11.197   1.049   1.052
  144   1HA   GLY  21          HA2       GLY  21 -11.622  -1.763   1.264
  145   2HA   GLY  21          HA1       GLY  21 -10.404  -1.170   0.179
  146    H    SER  22           HN       SER  22 -10.680  -2.563   2.986
  147    HA   SER  22           HA       SER  22  -9.181  -1.038   4.779
  148   1HB   SER  22          HB2       SER  22  -9.197  -2.923   6.152
  149   2HB   SER  22          HB1       SER  22 -10.611  -3.207   5.133
  150    HG   SER  22           HG       SER  22  -8.661  -4.844   5.472
  151    H    ARG  23           HN       ARG  23  -7.203  -3.207   5.373
  152    HA   ARG  23           HA       ARG  23  -5.167  -2.250   3.563
  153   1HB   ARG  23          HB2       ARG  23  -4.974  -3.861   6.096
  154   2HB   ARG  23          HB1       ARG  23  -3.590  -3.334   5.154
  155   1HG   ARG  23          HG2       ARG  23  -5.505  -1.712   6.773
  156   2HG   ARG  23          HG1       ARG  23  -3.745  -1.775   6.860
  157   1HD   ARG  23          HD2       ARG  23  -4.103   0.166   5.800
  158   2HD   ARG  23          HD1       ARG  23  -3.847  -0.851   4.442
  159    HE   ARG  23           HE       ARG  23  -6.063  -0.583   3.831
  160   1HH1  ARG  23          HH11      ARG  23  -5.518   0.773   6.976
  161   2HH1  ARG  23          HH12      ARG  23  -7.046   1.587   7.002
  162   1HH2  ARG  23          HH21      ARG  23  -8.067   0.426   3.869
  163   2HH2  ARG  23          HH22      ARG  23  -8.487   1.395   5.241
  164    H    GLN  24           HN       GLN  24  -6.648  -5.295   4.543
  165    HA   GLN  24           HA       GLN  24  -4.949  -6.959   3.012
  166   1HB   GLN  24          HB2       GLN  24  -7.375  -7.259   4.579
  167   2HB   GLN  24          HB1       GLN  24  -7.432  -8.236   3.119
  168   1HG   GLN  24          HG2       GLN  24  -4.982  -8.879   3.930
  169   2HG   GLN  24          HG1       GLN  24  -5.683  -8.455   5.495
  170   1HE2  GLN  24          HE21      GLN  24  -5.340 -10.698   6.013
  171   2HE2  GLN  24          HE22      GLN  24  -6.496 -11.879   5.521
  172    H    VAL  25           HN       VAL  25  -8.137  -5.565   2.369
  173    HA   VAL  25           HA       VAL  25  -8.453  -6.562  -0.145
  174    HB   VAL  25           HB       VAL  25  -9.513  -3.931   0.832
  175   1HG1  VAL  25          HG11      VAL  25 -10.012  -5.563  -1.513
  176   2HG1  VAL  25          HG12      VAL  25 -10.138  -3.818  -1.269
  177   3HG1  VAL  25          HG13      VAL  25 -11.433  -4.882  -0.715
  178   1HG2  VAL  25          HG21      VAL  25 -11.587  -5.598   1.121
  179   2HG2  VAL  25          HG22      VAL  25 -10.422  -5.292   2.406
  180   3HG2  VAL  25          HG23      VAL  25 -10.275  -6.732   1.407
  181    H    CYS  26           HN       CYS  26  -6.979  -3.611   1.007
  182    HA   CYS  26           HA       CYS  26  -6.401  -2.431  -1.424
  183   1HB   CYS  26          HB2       CYS  26  -5.764  -1.964   1.304
  184   2HB   CYS  26          HB1       CYS  26  -4.377  -1.652   0.277
  185    H    ALA  27           HN       ALA  27  -4.650  -4.628   0.637
  186    HA   ALA  27           HA       ALA  27  -2.219  -4.691  -0.704
  187   1HB   ALA  27          HB1       ALA  27  -2.737  -7.261   0.356
  188   2HB   ALA  27          HB2       ALA  27  -3.326  -6.012   1.456
  189   3HB   ALA  27          HB3       ALA  27  -1.648  -5.992   0.923
  190    H    SER  28           HN       SER  28  -5.177  -6.554  -1.105
  191    HA   SER  28           HA       SER  28  -4.045  -8.142  -3.210
  192   1HB   SER  28          HB2       SER  28  -6.862  -7.906  -2.137
  193   2HB   SER  28          HB1       SER  28  -6.407  -8.999  -3.445
  194    HG   SER  28           HG       SER  28  -5.137  -9.019  -0.913
  195    H    LEU  29           HN       LEU  29  -5.165  -5.023  -3.031
  196    HA   LEU  29           HA       LEU  29  -6.219  -5.000  -5.743
  197   1HB   LEU  29          HB2       LEU  29  -6.717  -3.470  -3.354
  198   2HB   LEU  29          HB1       LEU  29  -6.257  -2.400  -4.670
  199    HG   LEU  29           HG       LEU  29  -8.101  -4.023  -5.891
  200   1HD1  LEU  29          HD11      LEU  29 -10.054  -3.929  -4.284
  201   2HD1  LEU  29          HD12      LEU  29  -8.869  -3.678  -3.004
  202   3HD1  LEU  29          HD13      LEU  29  -8.829  -5.159  -3.959
  203   1HD2  LEU  29          HD21      LEU  29  -9.633  -1.944  -5.065
  204   2HD2  LEU  29          HD22      LEU  29  -8.490  -1.876  -6.400
  205   3HD2  LEU  29          HD23      LEU  29  -8.012  -1.298  -4.804
  206    H    SER  30           HN       SER  30  -3.562  -3.902  -3.767
  207    HA   SER  30           HA       SER  30  -2.324  -2.680  -6.143
  208   1HB   SER  30          HB2       SER  30  -1.624  -2.118  -3.262
  209   2HB   SER  30          HB1       SER  30  -1.088  -1.229  -4.687
  210    HG   SER  30           HG       SER  30  -3.494  -1.120  -3.320
  211    H    GLY  31           HN       GLY  31  -2.226  -5.378  -4.171
  212   1HA   GLY  31          HA2       GLY  31  -0.723  -7.071  -3.897
  213   2HA   GLY  31          HA1       GLY  31  -0.020  -6.488  -5.387
  214    H    CYS  32           HN       CYS  32  -0.188  -4.371  -2.632
  215    HA   CYS  32           HA       CYS  32   2.668  -4.321  -2.514
  216   1HB   CYS  32          HB2       CYS  32   0.814  -2.682  -0.807
  217   2HB   CYS  32          HB1       CYS  32   2.465  -2.323  -1.283
  218    H    LYS  33           HN       LYS  33   3.656  -4.110  -0.315
  219    HA   LYS  33           HA       LYS  33   2.774  -6.396   1.222
  220   1HB   LYS  33          HB2       LYS  33   5.281  -5.496   0.418
  221   2HB   LYS  33          HB1       LYS  33   5.214  -5.102   2.127
  222   1HG   LYS  33          HG2       LYS  33   6.025  -7.202   2.300
  223   2HG   LYS  33          HG1       LYS  33   4.305  -7.593   2.265
  224   1HD   LYS  33          HD2       LYS  33   5.521  -9.037   0.739
  225   2HD   LYS  33          HD1       LYS  33   4.460  -7.959  -0.126
  226   1HE   LYS  33          HE2       LYS  33   6.216  -6.723  -0.926
  227   2HE   LYS  33          HE1       LYS  33   7.287  -7.144   0.335
  228   1HZ   LYS  33          HZ1       LYS  33   7.751  -9.207  -0.547
  229   2HZ   LYS  33          HZ2       LYS  33   7.714  -8.188  -1.872
  230   3HZ   LYS  33          HZ3       LYS  33   6.393  -9.184  -1.529
  231    H    ILE  34           HN       ILE  34   1.545  -6.064   2.947
  232    HA   ILE  34           HA       ILE  34   0.868  -3.571   3.995
  233    HB   ILE  34           HB       ILE  34   0.753  -6.211   5.460
  234   1HG1  ILE  34          HG12      ILE  34  -0.309  -6.452   3.330
  235   2HG1  ILE  34          HG11      ILE  34  -1.515  -6.314   4.592
  236   1HG2  ILE  34          HG21      ILE  34  -0.197  -3.501   6.013
  237   2HG2  ILE  34          HG22      ILE  34   0.160  -4.805   7.120
  238   3HG2  ILE  34          HG23      ILE  34  -1.333  -4.826   6.287
  239   1HD1  ILE  34          HD11      ILE  34  -0.686  -4.250   2.571
  240   2HD1  ILE  34          HD12      ILE  34  -1.650  -3.854   4.000
  241   3HD1  ILE  34          HD13      ILE  34  -2.274  -4.988   2.802
  242    H    ILE  35           HN       ILE  35   1.603  -2.344   5.659
  243    HA   ILE  35           HA       ILE  35   4.307  -2.802   6.532
  244    HB   ILE  35           HB       ILE  35   3.289  -0.571   5.922
  245   1HG1  ILE  35          HG12      ILE  35   4.661   0.562   7.622
  246   2HG1  ILE  35          HG11      ILE  35   4.771  -0.892   8.534
  247   1HG2  ILE  35          HG21      ILE  35   1.712   0.361   7.166
  248   2HG2  ILE  35          HG22      ILE  35   2.499  -0.072   8.680
  249   3HG2  ILE  35          HG23      ILE  35   1.442  -1.194   7.848
  250   1HD1  ILE  35          HD11      ILE  35   6.458   0.000   6.487
  251   2HD1  ILE  35          HD12      ILE  35   5.578  -1.365   5.849
  252   3HD1  ILE  35          HD13      ILE  35   6.512  -1.520   7.342
  253    H    SER  36           HN       SER  36   4.985  -2.816   8.751
  254    HA   SER  36           HA       SER  36   2.930  -3.715  10.659
  255   1HB   SER  36          HB2       SER  36   4.285  -5.508  11.430
  256   2HB   SER  36          HB1       SER  36   4.296  -5.624   9.675
  257    HG   SER  36           HG       SER  36   6.361  -5.242  11.373
  258    H    ALA  37           HN       ALA  37   4.139  -1.145  10.317
  259    HA   ALA  37           HA       ALA  37   4.682  -0.482  12.972
  260   1HB   ALA  37          HB1       ALA  37   6.863  -1.746  11.994
  261   2HB   ALA  37          HB2       ALA  37   6.914  -0.546  13.277
  262   3HB   ALA  37          HB3       ALA  37   7.254  -0.087  11.613
  263    H    SER  38           HN       SER  38   6.269   1.695  12.788
  264    HA   SER  38           HA       SER  38   4.631   3.419  11.155
  265   1HB   SER  38          HB2       SER  38   6.670   3.964  13.305
  266   2HB   SER  38          HB1       SER  38   5.911   5.250  12.363
  267    HG   SER  38           HG       SER  38   4.958   4.284  14.515
  268    H    THR  39           HN       THR  39   7.112   1.641  10.346
  269    HA   THR  39           HA       THR  39   8.098   3.570   8.402
  270    HB   THR  39           HB       THR  39  10.026   1.833   9.909
  271    HG1  THR  39           HG1      THR  39   9.811   3.115  11.532
  272   1HG2  THR  39          HG21      THR  39  11.105   2.606   8.013
  273   2HG2  THR  39          HG22      THR  39  11.564   3.780   9.244
  274   3HG2  THR  39          HG23      THR  39  10.303   4.171   8.080
  275    H    CYS  40           HN       CYS  40   9.543   2.391   6.766
  276    HA   CYS  40           HA       CYS  40   8.525  -0.278   6.337
  277   1HB   CYS  40          HB2       CYS  40   8.032   1.917   4.745
  278   2HB   CYS  40          HB1       CYS  40   9.278   1.021   3.878
  279    HA   PRO  41           HA       PRO  41  12.805  -1.407   6.158
  280   1HB   PRO  41          HB2       PRO  41  12.554  -3.847   5.065
  281   2HB   PRO  41          HB1       PRO  41  12.094  -3.499   6.737
  282   1HG   PRO  41          HG2       PRO  41  10.371  -3.704   4.295
  283   2HG   PRO  41          HG1       PRO  41  10.089  -4.360   5.918
  284   1HD   PRO  41          HD2       PRO  41   8.924  -2.086   5.029
  285   2HD   PRO  41          HD1       PRO  41   9.341  -2.347   6.737
  286    H    SER  42           HN       SER  42  13.998  -2.969   4.246
  287    HA   SER  42           HA       SER  42  14.200  -1.148   2.033
  288   1HB   SER  42          HB2       SER  42  16.144  -2.366   3.196
  289   2HB   SER  42          HB1       SER  42  15.656  -3.749   2.255
  290    HG   SER  42           HG       SER  42  16.205  -2.738   0.418
  291    H    ASP  43           HN       ASP  43  11.702  -2.227   2.063
  292    HA   ASP  43           HA       ASP  43  11.731  -4.143  -0.097
  293   1HB   ASP  43          HB2       ASP  43   9.906  -3.760   2.185
  294   2HB   ASP  43          HB1       ASP  43   9.204  -4.343   0.674
  295    H    TYR  44           HN       TYR  44  12.209  -1.632  -0.796
  296    HA   TYR  44           HA       TYR  44  11.486   0.136  -1.986
  297   1HB   TYR  44          HB2       TYR  44   9.618  -0.605  -3.714
  298   2HB   TYR  44          HB1       TYR  44  11.300  -1.078  -3.881
  299    HD1  TYR  44           HD1      TYR  44   7.920  -2.183  -3.063
  300    HD2  TYR  44           HD2      TYR  44  11.999  -3.345  -3.410
  301    HE1  TYR  44           HE1      TYR  44   7.241  -4.546  -3.038
  302    HE2  TYR  44           HE2      TYR  44  11.328  -5.714  -3.386
  303    HH   TYR  44           HH       TYR  44   8.144  -6.732  -3.804
  304    HA   PRO  45           HA       PRO  45   7.804   1.083   0.526
  305   1HB   PRO  45          HB2       PRO  45   8.674   3.487   1.389
  306   2HB   PRO  45          HB1       PRO  45   9.180   1.972   2.150
  307   1HG   PRO  45          HG2       PRO  45  10.632   3.665   0.152
  308   2HG   PRO  45          HG1       PRO  45  11.256   2.872   1.609
  309   1HD   PRO  45          HD2       PRO  45  11.565   1.844  -0.823
  310   2HD   PRO  45          HD1       PRO  45  11.464   0.834   0.562
  311    H    LYS  46           HN       LYS  46   7.021   1.166  -1.761
  312    HA   LYS  46           HA       LYS  46   6.288   3.937  -2.339
  313   1HB   LYS  46          HB2       LYS  46   8.100   2.479  -3.895
  314   2HB   LYS  46          HB1       LYS  46   6.590   2.436  -4.789
  315   1HG   LYS  46          HG2       LYS  46   6.516   4.752  -5.027
  316   2HG   LYS  46          HG1       LYS  46   7.669   5.009  -3.715
  317   1HD   LYS  46          HD2       LYS  46   8.680   3.407  -5.965
  318   2HD   LYS  46          HD1       LYS  46   8.302   5.090  -6.350
  319   1HE   LYS  46          HE2       LYS  46   9.869   5.918  -4.851
  320   2HE   LYS  46          HE1       LYS  46   9.908   4.423  -3.917
  321   1HZ   LYS  46          HZ1       LYS  46  10.796   3.549  -6.263
  322   2HZ   LYS  46          HZ2       LYS  46  11.819   4.130  -5.047
  323   3HZ   LYS  46          HZ3       LYS  46  11.365   5.147  -6.322
  Start of MODEL   16
    1   1H    LYS   1          HT1       LYS   1   2.442   1.510   6.763
    2   2H    LYS   1          HT2       LYS   1   3.213   3.027   6.985
    3   3H    LYS   1          HT3       LYS   1   4.152   1.614   6.737
    4    HA   LYS   1           HA       LYS   1   2.267   2.759   4.791
    5   1HB   LYS   1          HB2       LYS   1   4.469   3.297   3.607
    6   2HB   LYS   1          HB1       LYS   1   4.033   4.307   4.977
    7   1HG   LYS   1          HG2       LYS   1   5.618   3.275   6.381
    8   2HG   LYS   1          HG1       LYS   1   5.867   1.950   5.240
    9   1HD   LYS   1          HD2       LYS   1   7.213   3.186   3.878
   10   2HD   LYS   1          HD1       LYS   1   6.418   4.702   4.285
   11   1HE   LYS   1          HE2       LYS   1   8.069   3.225   6.303
   12   2HE   LYS   1          HE1       LYS   1   8.814   4.324   5.135
   13   1HZ   LYS   1          HZ1       LYS   1   7.651   6.141   6.012
   14   2HZ   LYS   1          HZ2       LYS   1   8.203   5.295   7.366
   15   3HZ   LYS   1          HZ3       LYS   1   6.583   5.163   6.890
   16    H    SER   2           HN       SER   2   1.572   1.200   3.503
   17    HA   SER   2           HA       SER   2   2.627  -1.310   3.417
   18   1HB   SER   2          HB2       SER   2   0.382  -1.149   2.777
   19   2HB   SER   2          HB1       SER   2   0.686   0.121   1.681
   20    HG   SER   2           HG       SER   2   1.178  -1.151   0.149
   21    H    CYS   3           HN       CYS   3   4.447  -1.999   2.525
   22    HA   CYS   3           HA       CYS   3   6.113  -0.468   0.911
   23   1HB   CYS   3          HB2       CYS   3   6.203  -3.002   2.127
   24   2HB   CYS   3          HB1       CYS   3   6.701  -3.176   0.446
   25    H    CYS   4           HN       CYS   4   5.279   0.268  -0.870
   26    HA   CYS   4           HA       CYS   4   4.177  -1.578  -2.791
   27   1HB   CYS   4          HB2       CYS   4   3.804   1.310  -2.472
   28   2HB   CYS   4          HB1       CYS   4   3.391   0.491  -3.972
   29    HA   PRO   5           HA       PRO   5   7.641  -1.317  -5.486
   30   1HB   PRO   5          HB2       PRO   5   6.367  -0.975  -7.925
   31   2HB   PRO   5          HB1       PRO   5   6.618  -2.526  -7.119
   32   1HG   PRO   5          HG2       PRO   5   4.190  -0.793  -7.169
   33   2HG   PRO   5          HG1       PRO   5   4.314  -2.556  -7.248
   34   1HD   PRO   5          HD2       PRO   5   3.596  -1.310  -4.989
   35   2HD   PRO   5          HD1       PRO   5   4.616  -2.766  -4.953
   36    H    ASN   6           HN       ASN   6   5.218   0.804  -6.921
   37    HA   ASN   6           HA       ASN   6   7.096   3.015  -6.548
   38   1HB   ASN   6          HB2       ASN   6   6.840   3.777  -8.833
   39   2HB   ASN   6          HB1       ASN   6   7.409   2.116  -8.842
   40   1HD2  ASN   6          HD21      ASN   6   5.545   0.476  -8.878
   41   2HD2  ASN   6          HD22      ASN   6   4.284   0.808 -10.013
   42    H    THR   7           HN       THR   7   5.993   5.152  -7.245
   43    HA   THR   7           HA       THR   7   3.923   5.721  -5.559
   44    HB   THR   7           HB       THR   7   4.141   7.191  -8.170
   45    HG1  THR   7           HG1      THR   7   6.048   7.100  -6.082
   46   1HG2  THR   7          HG21      THR   7   2.723   8.429  -6.926
   47   2HG2  THR   7          HG22      THR   7   4.239   9.081  -6.315
   48   3HG2  THR   7          HG23      THR   7   3.372   7.855  -5.391
   49    H    THR   8           HN       THR   8   3.729   4.268  -8.680
   50    HA   THR   8           HA       THR   8   1.045   4.818  -9.296
   51    HB   THR   8           HB       THR   8   2.736   2.428 -10.058
   52    HG1  THR   8           HG1      THR   8   2.161   4.785 -11.518
   53   1HG2  THR   8          HG21      THR   8   1.262   1.970 -11.821
   54   2HG2  THR   8          HG22      THR   8   0.361   3.462 -11.556
   55   3HG2  THR   8          HG23      THR   8   0.250   2.142 -10.387
   56    H    GLY   9           HN       GLY   9   2.574   2.129  -7.560
   57   1HA   GLY   9          HA2       GLY   9   0.296   0.586  -7.101
   58   2HA   GLY   9          HA1       GLY   9   1.714   0.615  -6.065
   59    H    ARG  10           HN       ARG  10   1.638   3.282  -5.256
   60    HA   ARG  10           HA       ARG  10  -0.040   3.140  -3.084
   61   1HB   ARG  10          HB2       ARG  10   1.860   4.551  -3.019
   62   2HB   ARG  10          HB1       ARG  10   1.231   5.546  -4.328
   63   1HG   ARG  10          HG2       ARG  10   0.525   6.892  -2.723
   64   2HG   ARG  10          HG1       ARG  10  -0.690   5.691  -2.470
   65   1HD   ARG  10          HD2       ARG  10   1.816   6.026  -0.973
   66   2HD   ARG  10          HD1       ARG  10   0.232   6.140  -0.346
   67    HE   ARG  10           HE       ARG  10   0.885   3.567  -1.431
   68   1HH1  ARG  10          HH11      ARG  10   0.790   5.578   1.331
   69   2HH1  ARG  10          HH12      ARG  10   0.794   4.242   2.430
   70   1HH2  ARG  10          HH21      ARG  10   0.902   1.800  -0.017
   71   2HH2  ARG  10          HH22      ARG  10   0.857   2.101   1.632
   72    H    ASN  11           HN       ASN  11  -0.466   4.216  -6.342
   73    HA   ASN  11           HA       ASN  11  -2.749   5.847  -5.932
   74   1HB   ASN  11          HB2       ASN  11  -1.139   5.192  -8.101
   75   2HB   ASN  11          HB1       ASN  11  -2.696   4.474  -8.501
   76   1HD2  ASN  11          HD21      ASN  11  -0.865   7.298  -8.406
   77   2HD2  ASN  11          HD22      ASN  11  -2.117   8.421  -8.809
   78    H    ILE  12           HN       ILE  12  -2.268   2.437  -6.661
   79    HA   ILE  12           HA       ILE  12  -5.004   1.766  -6.912
   80    HB   ILE  12           HB       ILE  12  -2.772   0.003  -6.004
   81   1HG1  ILE  12          HG12      ILE  12  -3.570   0.042  -8.857
   82   2HG1  ILE  12          HG11      ILE  12  -2.666   1.386  -8.308
   83   1HG2  ILE  12          HG21      ILE  12  -5.409  -0.488  -7.369
   84   2HG2  ILE  12          HG22      ILE  12  -4.956  -0.951  -5.733
   85   3HG2  ILE  12          HG23      ILE  12  -4.163  -1.709  -7.113
   86   1HD1  ILE  12          HD11      ILE  12  -1.233  -0.623  -7.268
   87   2HD1  ILE  12          HD12      ILE  12  -0.854   0.225  -8.746
   88   3HD1  ILE  12          HD13      ILE  12  -1.771  -1.238  -8.823
   89    H    TYR  13           HN       TYR  13  -2.671   1.523  -4.255
   90    HA   TYR  13           HA       TYR  13  -4.344   0.423  -2.317
   91   1HB   TYR  13          HB2       TYR  13  -1.743   1.313  -2.403
   92   2HB   TYR  13          HB1       TYR  13  -2.494   2.452  -1.295
   93    HD1  TYR  13           HD1      TYR  13  -1.194  -0.791  -1.703
   94    HD2  TYR  13           HD2      TYR  13  -3.703   1.548   0.646
   95    HE1  TYR  13           HE1      TYR  13  -1.013  -2.439   0.041
   96    HE2  TYR  13           HE2      TYR  13  -3.530  -0.068   2.465
   97    HH   TYR  13           HH       TYR  13  -2.082  -1.791   3.214
   98    H    ASN  14           HN       ASN  14  -3.802   3.779  -3.260
   99    HA   ASN  14           HA       ASN  14  -5.521   4.868  -1.265
  100   1HB   ASN  14          HB2       ASN  14  -3.830   5.871  -3.384
  101   2HB   ASN  14          HB1       ASN  14  -5.379   6.695  -3.401
  102   1HD2  ASN  14          HD21      ASN  14  -2.576   5.950  -1.473
  103   2HD2  ASN  14          HD22      ASN  14  -2.767   7.246  -0.352
  104    H    THR  15           HN       THR  15  -5.935   4.056  -4.690
  105    HA   THR  15           HA       THR  15  -8.509   5.072  -5.046
  106    HB   THR  15           HB       THR  15  -7.297   2.606  -6.277
  107    HG1  THR  15           HG1      THR  15  -6.462   3.929  -7.771
  108   1HG2  THR  15          HG21      THR  15  -8.830   3.593  -8.223
  109   2HG2  THR  15          HG22      THR  15  -9.801   4.063  -6.828
  110   3HG2  THR  15          HG23      THR  15  -9.388   2.369  -7.082
  111    H    CYS  16           HN       CYS  16  -7.383   2.116  -3.583
  112    HA   CYS  16           HA       CYS  16 -10.002   0.985  -3.291
  113   1HB   CYS  16          HB2       CYS  16  -8.642  -0.723  -3.287
  114   2HB   CYS  16          HB1       CYS  16  -7.238   0.195  -2.858
  115    H    ARG  17           HN       ARG  17  -7.530   2.070  -0.963
  116    HA   ARG  17           HA       ARG  17  -9.045   1.966   1.247
  117   1HB   ARG  17          HB2       ARG  17  -6.633   3.293   0.434
  118   2HB   ARG  17          HB1       ARG  17  -7.494   4.231   1.598
  119   1HG   ARG  17          HG2       ARG  17  -7.297   1.396   2.255
  120   2HG   ARG  17          HG1       ARG  17  -5.730   2.182   2.087
  121   1HD   ARG  17          HD2       ARG  17  -6.764   2.201   4.398
  122   2HD   ARG  17          HD1       ARG  17  -6.226   3.755   3.767
  123    HE   ARG  17           HE       ARG  17  -8.954   3.333   3.163
  124   1HH1  ARG  17          HH11      ARG  17  -6.825   4.144   5.804
  125   2HH1  ARG  17          HH12      ARG  17  -8.040   5.026   6.671
  126   1HH2  ARG  17          HH21      ARG  17 -10.551   4.497   4.302
  127   2HH2  ARG  17          HH22      ARG  17 -10.147   5.229   5.820
  128    H    PHE  18           HN       PHE  18  -8.663   4.768  -0.810
  129    HA   PHE  18           HA       PHE  18 -10.608   6.308   0.556
  130   1HB   PHE  18          HB2       PHE  18  -9.180   6.700  -2.037
  131   2HB   PHE  18          HB1       PHE  18 -10.392   7.832  -1.440
  132    HD1  PHE  18           HD1      PHE  18  -7.478   6.024   0.030
  133    HD2  PHE  18           HD2      PHE  18  -9.478   9.727  -0.561
  134    HE1  PHE  18           HE1      PHE  18  -5.755   7.169   1.297
  135    HE2  PHE  18           HE2      PHE  18  -7.760  10.884   0.733
  136    HZ   PHE  18           HZ       PHE  18  -5.893   9.600   1.655
  137    H    GLY  19           HN       GLY  19 -10.727   3.818  -1.695
  138   1HA   GLY  19          HA2       GLY  19 -13.182   4.667  -2.940
  139   2HA   GLY  19          HA1       GLY  19 -12.359   3.136  -3.200
  140    H    GLY  20           HN       GLY  20 -12.229   2.778  -0.202
  141   1HA   GLY  20          HA2       GLY  20 -14.025   2.547   1.408
  142   2HA   GLY  20          HA1       GLY  20 -15.046   1.967   0.153
  143    H    GLY  21           HN       GLY  21 -11.659   1.099   0.641
  144   1HA   GLY  21          HA2       GLY  21 -12.544  -1.598   0.914
  145   2HA   GLY  21          HA1       GLY  21 -10.984  -1.105   0.330
  146    H    SER  22           HN       SER  22  -9.765  -2.290   1.704
  147    HA   SER  22           HA       SER  22  -9.639  -1.245   4.427
  148   1HB   SER  22          HB2       SER  22 -10.981  -3.474   4.203
  149   2HB   SER  22          HB1       SER  22  -9.389  -4.203   3.989
  150    HG   SER  22           HG       SER  22  -9.236  -4.138   6.067
  151    H    ARG  23           HN       ARG  23  -7.678  -3.495   4.991
  152    HA   ARG  23           HA       ARG  23  -5.418  -2.265   3.645
  153   1HB   ARG  23          HB2       ARG  23  -5.864  -2.772   6.320
  154   2HB   ARG  23          HB1       ARG  23  -4.780  -4.069   5.836
  155   1HG   ARG  23          HG2       ARG  23  -3.611  -2.099   6.720
  156   2HG   ARG  23          HG1       ARG  23  -3.150  -2.494   5.067
  157   1HD   ARG  23          HD2       ARG  23  -3.999  -0.092   6.035
  158   2HD   ARG  23          HD1       ARG  23  -3.739  -0.499   4.358
  159    HE   ARG  23           HE       ARG  23  -6.035  -0.637   4.073
  160   1HH1  ARG  23          HH11      ARG  23  -5.271  -0.171   7.442
  161   2HH1  ARG  23          HH12      ARG  23  -6.878   0.280   7.866
  162   1HH2  ARG  23          HH21      ARG  23  -8.150  -0.031   4.635
  163   2HH2  ARG  23          HH22      ARG  23  -8.509   0.358   6.279
  164    H    GLN  24           HN       GLN  24  -6.775  -5.407   4.482
  165    HA   GLN  24           HA       GLN  24  -4.769  -6.887   3.112
  166   1HB   GLN  24          HB2       GLN  24  -7.214  -7.469   4.580
  167   2HB   GLN  24          HB1       GLN  24  -7.037  -8.498   3.162
  168   1HG   GLN  24          HG2       GLN  24  -4.579  -8.738   4.138
  169   2HG   GLN  24          HG1       GLN  24  -5.421  -8.367   5.640
  170   1HE2  GLN  24          HE21      GLN  24  -4.519 -10.618   6.002
  171   2HE2  GLN  24          HE22      GLN  24  -5.567 -11.936   5.613
  172    H    VAL  25           HN       VAL  25  -8.021  -5.779   2.305
  173    HA   VAL  25           HA       VAL  25  -8.128  -6.917  -0.178
  174    HB   VAL  25           HB       VAL  25  -9.508  -4.375   0.608
  175   1HG1  VAL  25          HG11      VAL  25  -9.851  -6.314  -1.544
  176   2HG1  VAL  25          HG12      VAL  25  -9.974  -4.556  -1.545
  177   3HG1  VAL  25          HG13      VAL  25 -11.288  -5.529  -0.880
  178   1HG2  VAL  25          HG21      VAL  25 -11.393  -6.255   0.975
  179   2HG2  VAL  25          HG22      VAL  25 -10.331  -5.679   2.262
  180   3HG2  VAL  25          HG23      VAL  25  -9.952  -7.179   1.413
  181    H    CYS  26           HN       CYS  26  -7.054  -3.794   0.932
  182    HA   CYS  26           HA       CYS  26  -6.487  -2.621  -1.485
  183   1HB   CYS  26          HB2       CYS  26  -6.055  -2.013   1.228
  184   2HB   CYS  26          HB1       CYS  26  -4.631  -1.617   0.298
  185    H    ALA  27           HN       ALA  27  -4.602  -4.550   0.709
  186    HA   ALA  27           HA       ALA  27  -2.124  -4.412  -0.529
  187   1HB   ALA  27          HB1       ALA  27  -1.401  -6.066   0.823
  188   2HB   ALA  27          HB2       ALA  27  -2.950  -6.896   0.817
  189   3HB   ALA  27          HB3       ALA  27  -2.762  -5.394   1.720
  190    H    SER  28           HN       SER  28  -4.819  -6.639  -0.920
  191    HA   SER  28           HA       SER  28  -3.496  -8.200  -2.902
  192   1HB   SER  28          HB2       SER  28  -6.373  -8.060  -2.002
  193   2HB   SER  28          HB1       SER  28  -5.815  -9.154  -3.265
  194    HG   SER  28           HG       SER  28  -4.739  -9.069  -0.638
  195    H    LEU  29           HN       LEU  29  -4.871  -5.154  -2.954
  196    HA   LEU  29           HA       LEU  29  -5.778  -5.318  -5.703
  197   1HB   LEU  29          HB2       LEU  29  -6.298  -3.586  -3.448
  198   2HB   LEU  29          HB1       LEU  29  -5.881  -2.649  -4.867
  199    HG   LEU  29           HG       LEU  29  -7.685  -4.346  -5.950
  200   1HD1  LEU  29          HD11      LEU  29  -9.599  -4.393  -4.313
  201   2HD1  LEU  29          HD12      LEU  29  -8.424  -4.020  -3.051
  202   3HD1  LEU  29          HD13      LEU  29  -8.278  -5.516  -3.980
  203   1HD2  LEU  29          HD21      LEU  29  -9.333  -2.378  -5.123
  204   2HD2  LEU  29          HD22      LEU  29  -8.185  -2.209  -6.448
  205   3HD2  LEU  29          HD23      LEU  29  -7.765  -1.622  -4.834
  206    H    SER  30           HN       SER  30  -3.189  -3.954  -3.770
  207    HA   SER  30           HA       SER  30  -1.954  -2.889  -6.223
  208   1HB   SER  30          HB2       SER  30  -0.934  -2.213  -3.495
  209   2HB   SER  30          HB1       SER  30  -0.913  -1.247  -4.972
  210    HG   SER  30           HG       SER  30  -3.338  -1.321  -4.650
  211    H    GLY  31           HN       GLY  31  -1.785  -5.486  -4.088
  212   1HA   GLY  31          HA2       GLY  31  -0.331  -7.217  -3.903
  213   2HA   GLY  31          HA1       GLY  31   0.421  -6.574  -5.331
  214    H    CYS  32           HN       CYS  32   0.099  -4.493  -2.595
  215    HA   CYS  32           HA       CYS  32   2.977  -4.451  -2.278
  216   1HB   CYS  32          HB2       CYS  32   0.904  -2.821  -0.824
  217   2HB   CYS  32          HB1       CYS  32   2.628  -2.508  -0.904
  218    H    LYS  33           HN       LYS  33   3.729  -4.130  -0.009
  219    HA   LYS  33           HA       LYS  33   2.731  -6.415   1.520
  220   1HB   LYS  33          HB2       LYS  33   5.081  -6.510   0.853
  221   2HB   LYS  33          HB1       LYS  33   5.367  -4.994   1.682
  222   1HG   LYS  33          HG2       LYS  33   4.356  -6.367   3.718
  223   2HG   LYS  33          HG1       LYS  33   5.012  -7.711   2.777
  224   1HD   LYS  33          HD2       LYS  33   6.657  -6.916   4.377
  225   2HD   LYS  33          HD1       LYS  33   7.197  -6.588   2.731
  226   1HE   LYS  33          HE2       LYS  33   7.459  -4.457   3.282
  227   2HE   LYS  33          HE1       LYS  33   5.720  -4.341   3.533
  228   1HZ   LYS  33          HZ1       LYS  33   5.952  -4.392   5.750
  229   2HZ   LYS  33          HZ2       LYS  33   7.529  -3.870   5.433
  230   3HZ   LYS  33          HZ3       LYS  33   7.221  -5.510   5.720
  231    H    ILE  34           HN       ILE  34   2.167  -6.233   3.667
  232    HA   ILE  34           HA       ILE  34   1.589  -3.521   4.564
  233    HB   ILE  34           HB       ILE  34   0.782  -6.068   5.958
  234   1HG1  ILE  34          HG12      ILE  34   0.034  -6.259   3.660
  235   2HG1  ILE  34          HG11      ILE  34  -1.279  -5.909   4.712
  236   1HG2  ILE  34          HG21      ILE  34   0.075  -3.199   6.105
  237   2HG2  ILE  34          HG22      ILE  34   0.328  -4.369   7.403
  238   3HG2  ILE  34          HG23      ILE  34  -1.121  -4.422   6.460
  239   1HD1  ILE  34          HD11      ILE  34   0.098  -3.686   3.308
  240   2HD1  ILE  34          HD12      ILE  34  -1.533  -3.771   3.888
  241   3HD1  ILE  34          HD13      ILE  34  -1.056  -4.679   2.450
  242    H    ILE  35           HN       ILE  35   2.858  -2.497   5.956
  243    HA   ILE  35           HA       ILE  35   4.716  -4.077   7.596
  244    HB   ILE  35           HB       ILE  35   5.758  -2.437   6.075
  245   1HG1  ILE  35          HG12      ILE  35   6.744  -1.073   8.211
  246   2HG1  ILE  35          HG11      ILE  35   6.070  -2.448   9.000
  247   1HG2  ILE  35          HG21      ILE  35   5.476  -0.128   6.376
  248   2HG2  ILE  35          HG22      ILE  35   4.388  -0.378   7.745
  249   3HG2  ILE  35          HG23      ILE  35   3.889  -0.850   6.118
  250   1HD1  ILE  35          HD11      ILE  35   8.077  -2.475   6.755
  251   2HD1  ILE  35          HD12      ILE  35   7.412  -3.889   7.575
  252   3HD1  ILE  35          HD13      ILE  35   8.423  -2.746   8.462
  253    H    SER  36           HN       SER  36   4.831  -3.791   9.802
  254    HA   SER  36           HA       SER  36   2.547  -2.429  11.014
  255   1HB   SER  36          HB2       SER  36   3.502  -4.909  11.480
  256   2HB   SER  36          HB1       SER  36   4.392  -4.006  12.709
  257    HG   SER  36           HG       SER  36   1.982  -4.868  12.942
  258    H    ALA  37           HN       ALA  37   4.763  -0.936   9.992
  259    HA   ALA  37           HA       ALA  37   5.205   0.706  12.240
  260   1HB   ALA  37          HB1       ALA  37   7.824  -0.141  11.213
  261   2HB   ALA  37          HB2       ALA  37   6.966  -1.296  12.217
  262   3HB   ALA  37          HB3       ALA  37   7.333   0.278  12.850
  263    H    SER  38           HN       SER  38   7.185   2.310  11.507
  264    HA   SER  38           HA       SER  38   6.279   3.341   8.953
  265   1HB   SER  38          HB2       SER  38   8.199   4.814  10.705
  266   2HB   SER  38          HB1       SER  38   6.922   5.446   9.672
  267    HG   SER  38           HG       SER  38   6.625   4.117  12.159
  268    H    THR  39           HN       THR  39   8.137   1.048   9.171
  269    HA   THR  39           HA       THR  39  10.296   2.169   7.531
  270    HB   THR  39           HB       THR  39  10.791  -0.089   9.422
  271    HG1  THR  39           HG1      THR  39  11.399   1.293  10.982
  272   1HG2  THR  39          HG21      THR  39  12.641  -0.008   8.105
  273   2HG2  THR  39          HG22      THR  39  13.103   1.143   9.338
  274   3HG2  THR  39          HG23      THR  39  12.474   1.701   7.789
  275    H    CYS  40           HN       CYS  40  11.468   0.339   6.332
  276    HA   CYS  40           HA       CYS  40  10.032  -1.984   5.844
  277   1HB   CYS  40          HB2       CYS  40   9.018   0.104   4.489
  278   2HB   CYS  40          HB1       CYS  40  10.138  -0.539   3.313
  279    HA   PRO  41           HA       PRO  41  14.152  -3.125   4.703
  280   1HB   PRO  41          HB2       PRO  41  13.549  -5.377   3.235
  281   2HB   PRO  41          HB1       PRO  41  13.612  -5.327   4.998
  282   1HG   PRO  41          HG2       PRO  41  11.247  -5.169   3.179
  283   2HG   PRO  41          HG1       PRO  41  11.431  -6.052   4.699
  284   1HD   PRO  41          HD2       PRO  41  10.111  -3.713   4.572
  285   2HD   PRO  41          HD1       PRO  41  11.089  -4.157   5.990
  286    H    SER  42           HN       SER  42  14.911  -4.404   2.376
  287    HA   SER  42           HA       SER  42  14.803  -2.227   0.485
  288   1HB   SER  42          HB2       SER  42  16.807  -3.863   1.135
  289   2HB   SER  42          HB1       SER  42  16.141  -4.797  -0.182
  290    HG   SER  42           HG       SER  42  17.499  -2.406  -0.197
  291    H    ASP  43           HN       ASP  43  12.303  -3.264   0.764
  292    HA   ASP  43           HA       ASP  43  11.880  -4.796  -1.600
  293   1HB   ASP  43          HB2       ASP  43   9.718  -5.508  -0.634
  294   2HB   ASP  43          HB1       ASP  43  11.110  -6.028   0.268
  295    H    TYR  44           HN       TYR  44  12.301  -2.219  -2.009
  296    HA   TYR  44           HA       TYR  44  11.466  -0.287  -2.773
  297   1HB   TYR  44          HB2       TYR  44   9.208  -0.647  -4.095
  298   2HB   TYR  44          HB1       TYR  44  10.748  -1.231  -4.711
  299    HD1  TYR  44           HD1      TYR  44   7.480  -2.141  -3.396
  300    HD2  TYR  44           HD2      TYR  44  11.293  -3.639  -4.561
  301    HE1  TYR  44           HE1      TYR  44   6.550  -4.414  -3.492
  302    HE2  TYR  44           HE2      TYR  44  10.372  -5.912  -4.663
  303    HH   TYR  44           HH       TYR  44   7.168  -6.602  -4.762
  304    HA   PRO  45           HA       PRO  45   8.532   0.459   0.574
  305   1HB   PRO  45          HB2       PRO  45   9.861   2.491   1.701
  306   2HB   PRO  45          HB1       PRO  45  10.353   0.807   1.967
  307   1HG   PRO  45          HG2       PRO  45  11.518   2.847   0.129
  308   2HG   PRO  45          HG1       PRO  45  12.346   1.679   1.158
  309   1HD   PRO  45          HD2       PRO  45  11.919   1.323  -1.455
  310   2HD   PRO  45          HD1       PRO  45  12.153  -0.002  -0.320
  311    H    LYS  46           HN       LYS  46   7.798   1.194  -1.850
  312    HA   LYS  46           HA       LYS  46   7.363   4.089  -1.665
  313   1HB   LYS  46          HB2       LYS  46   8.040   2.332  -3.884
  314   2HB   LYS  46          HB1       LYS  46   6.636   3.331  -4.235
  315   1HG   LYS  46          HG2       LYS  46   8.327   5.159  -3.154
  316   2HG   LYS  46          HG1       LYS  46   9.455   4.067  -3.957
  317   1HD   LYS  46          HD2       LYS  46   7.106   4.733  -5.568
  318   2HD   LYS  46          HD1       LYS  46   8.112   6.127  -5.162
  319   1HE   LYS  46          HE2       LYS  46  10.085   4.879  -6.009
  320   2HE   LYS  46          HE1       LYS  46   9.004   3.584  -6.516
  321   1HZ   LYS  46          HZ1       LYS  46   7.862   5.711  -7.665
  322   2HZ   LYS  46          HZ2       LYS  46   9.006   4.726  -8.434
  323   3HZ   LYS  46          HZ3       LYS  46   9.487   6.184  -7.713
  Start of MODEL   17
    1   1H    LYS   1          HT1       LYS   1  -1.021   3.563   4.504
    2   2H    LYS   1          HT2       LYS   1  -0.190   4.831   5.303
    3   3H    LYS   1          HT3       LYS   1  -0.002   3.212   5.824
    4    HA   LYS   1           HA       LYS   1   0.732   4.205   3.165
    5   1HB   LYS   1          HB2       LYS   1   3.005   4.250   4.010
    6   2HB   LYS   1          HB1       LYS   1   1.994   5.293   4.997
    7   1HG   LYS   1          HG2       LYS   1   1.988   2.687   6.144
    8   2HG   LYS   1          HG1       LYS   1   3.657   3.162   5.820
    9   1HD   LYS   1          HD2       LYS   1   3.516   5.044   7.199
   10   2HD   LYS   1          HD1       LYS   1   1.751   5.044   7.170
   11   1HE   LYS   1          HE2       LYS   1   2.189   2.638   8.278
   12   2HE   LYS   1          HE1       LYS   1   3.631   3.489   8.839
   13   1HZ   LYS   1          HZ1       LYS   1   2.405   4.945  10.077
   14   2HZ   LYS   1          HZ2       LYS   1   1.441   3.563  10.211
   15   3HZ   LYS   1          HZ3       LYS   1   1.013   4.784   9.130
   16    H    SER   2           HN       SER   2   2.596   2.700   2.428
   17    HA   SER   2           HA       SER   2   2.560   0.016   3.304
   18   1HB   SER   2          HB2       SER   2   1.637  -0.855   1.099
   19   2HB   SER   2          HB1       SER   2   0.460  -0.179   2.219
   20    HG   SER   2           HG       SER   2  -0.038   1.020   0.616
   21    H    CYS   3           HN       CYS   3   3.897  -1.360   1.885
   22    HA   CYS   3           HA       CYS   3   6.003   0.206   0.630
   23   1HB   CYS   3          HB2       CYS   3   6.006  -2.083   2.351
   24   2HB   CYS   3          HB1       CYS   3   6.927  -2.378   0.878
   25    H    CYS   4           HN       CYS   4   5.292   0.465  -1.403
   26    HA   CYS   4           HA       CYS   4   4.760  -1.948  -2.946
   27   1HB   CYS   4          HB2       CYS   4   3.350   0.450  -2.811
   28   2HB   CYS   4          HB1       CYS   4   4.124   0.418  -4.392
   29    HA   PRO   5           HA       PRO   5   8.539  -1.433  -5.157
   30   1HB   PRO   5          HB2       PRO   5   7.832  -2.393  -7.612
   31   2HB   PRO   5          HB1       PRO   5   8.158  -3.419  -6.216
   32   1HG   PRO   5          HG2       PRO   5   5.534  -2.504  -7.321
   33   2HG   PRO   5          HG1       PRO   5   5.992  -4.105  -6.715
   34   1HD   PRO   5          HD2       PRO   5   4.560  -2.373  -5.237
   35   2HD   PRO   5          HD1       PRO   5   5.737  -3.481  -4.508
   36    H    ASN   6           HN       ASN   6   5.587  -0.068  -6.458
   37    HA   ASN   6           HA       ASN   6   7.169   2.085  -7.582
   38   1HB   ASN   6          HB2       ASN   6   5.315   1.989  -9.500
   39   2HB   ASN   6          HB1       ASN   6   6.842   1.128  -9.628
   40   1HD2  ASN   6          HD21      ASN   6   4.035   0.326  -7.642
   41   2HD2  ASN   6          HD22      ASN   6   3.705  -1.145  -8.408
   42    H    THR   7           HN       THR   7   6.232   4.076  -7.452
   43    HA   THR   7           HA       THR   7   4.361   4.600  -5.497
   44    HB   THR   7           HB       THR   7   4.921   6.297  -7.941
   45    HG1  THR   7           HG1      THR   7   6.206   6.243  -5.413
   46   1HG2  THR   7          HG21      THR   7   3.156   7.386  -6.933
   47   2HG2  THR   7          HG22      THR   7   4.558   8.137  -6.170
   48   3HG2  THR   7          HG23      THR   7   3.649   6.899  -5.311
   49    H    THR   8           HN       THR   8   3.841   3.557  -8.729
   50    HA   THR   8           HA       THR   8   1.235   4.501  -9.161
   51    HB   THR   8           HB       THR   8   2.466   1.940 -10.188
   52    HG1  THR   8           HG1      THR   8   2.582   4.595 -11.166
   53   1HG2  THR   8          HG21      THR   8   1.009   2.258 -12.125
   54   2HG2  THR   8          HG22      THR   8   0.262   3.641 -11.334
   55   3HG2  THR   8          HG23      THR   8   0.088   2.030 -10.641
   56    H    GLY   9           HN       GLY   9   2.459   1.536  -7.679
   57   1HA   GLY   9          HA2       GLY   9   0.023   0.237  -7.280
   58   2HA   GLY   9          HA1       GLY   9   1.444   0.042  -6.288
   59    H    ARG  10           HN       ARG  10   1.702   2.626  -5.302
   60    HA   ARG  10           HA       ARG  10   0.018   2.530  -3.076
   61   1HB   ARG  10          HB2       ARG  10   2.213   4.056  -3.883
   62   2HB   ARG  10          HB1       ARG  10   0.931   5.214  -3.552
   63   1HG   ARG  10          HG2       ARG  10   0.842   3.378  -1.445
   64   2HG   ARG  10          HG1       ARG  10   2.554   3.711  -1.722
   65   1HD   ARG  10          HD2       ARG  10   0.373   5.689  -1.142
   66   2HD   ARG  10          HD1       ARG  10   1.763   5.305  -0.149
   67    HE   ARG  10           HE       ARG  10   2.577   6.238  -2.680
   68   1HH1  ARG  10          HH11      ARG  10   1.239   7.354   0.308
   69   2HH1  ARG  10          HH12      ARG  10   1.895   8.951   0.161
   70   1HH2  ARG  10          HH21      ARG  10   3.438   8.336  -2.887
   71   2HH2  ARG  10          HH22      ARG  10   3.143   9.506  -1.645
   72    H    ASN  11           HN       ASN  11  -0.359   3.850  -6.236
   73    HA   ASN  11           HA       ASN  11  -2.404   5.722  -5.654
   74   1HB   ASN  11          HB2       ASN  11  -0.955   5.094  -7.891
   75   2HB   ASN  11          HB1       ASN  11  -2.529   4.411  -8.290
   76   1HD2  ASN  11          HD21      ASN  11  -0.737   7.307  -7.621
   77   2HD2  ASN  11          HD22      ASN  11  -1.940   8.419  -8.167
   78    H    ILE  12           HN       ILE  12  -2.407   2.358  -6.741
   79    HA   ILE  12           HA       ILE  12  -5.193   2.007  -6.853
   80    HB   ILE  12           HB       ILE  12  -3.122  -0.052  -6.169
   81   1HG1  ILE  12          HG12      ILE  12  -4.125   0.184  -8.940
   82   2HG1  ILE  12          HG11      ILE  12  -3.046   1.447  -8.405
   83   1HG2  ILE  12          HG21      ILE  12  -5.996  -0.115  -6.791
   84   2HG2  ILE  12          HG22      ILE  12  -5.007  -1.238  -5.875
   85   3HG2  ILE  12          HG23      ILE  12  -5.013  -1.295  -7.639
   86   1HD1  ILE  12          HD11      ILE  12  -1.766  -0.798  -7.572
   87   2HD1  ILE  12          HD12      ILE  12  -1.399   0.115  -9.025
   88   3HD1  ILE  12          HD13      ILE  12  -2.472  -1.258  -9.118
   89    H    TYR  13           HN       TYR  13  -2.816   1.347  -4.300
   90    HA   TYR  13           HA       TYR  13  -4.479   0.316  -2.335
   91   1HB   TYR  13          HB2       TYR  13  -1.866   0.922  -2.426
   92   2HB   TYR  13          HB1       TYR  13  -2.427   2.296  -1.490
   93    HD1  TYR  13           HD1      TYR  13  -0.984  -0.722  -1.113
   94    HD2  TYR  13           HD2      TYR  13  -4.290   1.451   0.337
   95    HE1  TYR  13           HE1      TYR  13  -0.966  -2.086   0.888
   96    HE2  TYR  13           HE2      TYR  13  -4.286   0.112   2.381
   97    HH   TYR  13           HH       TYR  13  -2.038  -1.409   3.555
   98    H    ASN  14           HN       ASN  14  -3.726   3.652  -3.137
   99    HA   ASN  14           HA       ASN  14  -5.287   4.835  -1.100
  100   1HB   ASN  14          HB2       ASN  14  -3.660   5.721  -3.302
  101   2HB   ASN  14          HB1       ASN  14  -5.172   6.624  -3.297
  102   1HD2  ASN  14          HD21      ASN  14  -2.151   6.150  -1.805
  103   2HD2  ASN  14          HD22      ASN  14  -2.317   7.337  -0.565
  104    H    THR  15           HN       THR  15  -5.982   4.273  -4.560
  105    HA   THR  15           HA       THR  15  -8.541   5.358  -4.616
  106    HB   THR  15           HB       THR  15  -7.998   2.860  -6.138
  107    HG1  THR  15           HG1      THR  15  -6.060   3.731  -6.467
  108   1HG2  THR  15          HG21      THR  15  -8.710   4.629  -7.982
  109   2HG2  THR  15          HG22      THR  15  -9.463   5.383  -6.581
  110   3HG2  THR  15          HG23      THR  15  -9.885   3.728  -7.028
  111    H    CYS  16           HN       CYS  16  -7.401   2.305  -3.401
  112    HA   CYS  16           HA       CYS  16  -9.998   1.155  -3.051
  113   1HB   CYS  16          HB2       CYS  16  -8.528  -0.533  -3.193
  114   2HB   CYS  16          HB1       CYS  16  -7.191   0.388  -2.589
  115    H    ARG  17           HN       ARG  17  -7.495   2.203  -0.742
  116    HA   ARG  17           HA       ARG  17  -8.960   2.040   1.534
  117   1HB   ARG  17          HB2       ARG  17  -6.575   3.405   0.645
  118   2HB   ARG  17          HB1       ARG  17  -7.417   4.323   1.877
  119   1HG   ARG  17          HG2       ARG  17  -7.214   1.501   2.534
  120   2HG   ARG  17          HG1       ARG  17  -5.635   2.259   2.302
  121   1HD   ARG  17          HD2       ARG  17  -6.495   2.338   4.652
  122   2HD   ARG  17          HD1       ARG  17  -6.107   3.908   3.960
  123    HE   ARG  17           HE       ARG  17  -8.852   3.262   3.584
  124   1HH1  ARG  17          HH11      ARG  17  -6.563   4.404   5.959
  125   2HH1  ARG  17          HH12      ARG  17  -7.756   5.260   6.882
  126   1HH2  ARG  17          HH21      ARG  17 -10.420   4.383   4.794
  127   2HH2  ARG  17          HH22      ARG  17  -9.946   5.248   6.220
  128    H    PHE  18           HN       PHE  18  -8.652   4.869  -0.543
  129    HA   PHE  18           HA       PHE  18 -10.544   6.408   0.880
  130   1HB   PHE  18          HB2       PHE  18  -9.232   6.766  -1.765
  131   2HB   PHE  18          HB1       PHE  18 -10.421   7.902  -1.140
  132    HD1  PHE  18           HD1      PHE  18  -7.433   6.137   0.215
  133    HD2  PHE  18           HD2      PHE  18  -9.498   9.819  -0.313
  134    HE1  PHE  18           HE1      PHE  18  -5.665   7.304   1.439
  135    HE2  PHE  18           HE2      PHE  18  -7.723  10.999   0.894
  136    HZ   PHE  18           HZ       PHE  18  -5.807   9.738   1.783
  137    H    GLY  19           HN       GLY  19 -10.727   3.947  -1.417
  138   1HA   GLY  19          HA2       GLY  19 -13.266   4.772  -2.497
  139   2HA   GLY  19          HA1       GLY  19 -12.431   3.264  -2.837
  140    H    GLY  20           HN       GLY  20 -12.136   2.897   0.146
  141   1HA   GLY  20          HA2       GLY  20 -13.714   2.489   1.927
  142   2HA   GLY  20          HA1       GLY  20 -14.923   2.120   0.713
  143    H    GLY  21           HN       GLY  21 -11.550   1.002   0.933
  144   1HA   GLY  21          HA2       GLY  21 -12.583  -1.693   0.823
  145   2HA   GLY  21          HA1       GLY  21 -10.963  -1.194   0.367
  146    H    SER  22           HN       SER  22  -9.917  -2.673   1.624
  147    HA   SER  22           HA       SER  22  -9.959  -2.115   4.504
  148   1HB   SER  22          HB2       SER  22 -11.181  -4.295   3.706
  149   2HB   SER  22          HB1       SER  22  -9.543  -4.921   3.539
  150    HG   SER  22           HG       SER  22  -9.592  -5.234   5.607
  151    H    ARG  23           HN       ARG  23  -7.954  -4.377   4.768
  152    HA   ARG  23           HA       ARG  23  -5.662  -2.865   3.809
  153   1HB   ARG  23          HB2       ARG  23  -5.958  -4.787   6.095
  154   2HB   ARG  23          HB1       ARG  23  -4.400  -4.192   5.550
  155   1HG   ARG  23          HG2       ARG  23  -6.661  -2.629   6.752
  156   2HG   ARG  23          HG1       ARG  23  -5.050  -2.893   7.415
  157   1HD   ARG  23          HD2       ARG  23  -4.795  -0.800   6.569
  158   2HD   ARG  23          HD1       ARG  23  -4.306  -1.743   5.172
  159    HE   ARG  23           HE       ARG  23  -6.158  -0.999   4.049
  160   1HH1  ARG  23          HH11      ARG  23  -6.519  -0.298   7.452
  161   2HH1  ARG  23          HH12      ARG  23  -7.953   0.615   7.234
  162   1HH2  ARG  23          HH21      ARG  23  -8.042   0.222   3.761
  163   2HH2  ARG  23          HH22      ARG  23  -8.817   0.922   5.140
  164    H    GLN  24           HN       GLN  24  -6.700  -6.217   4.302
  165    HA   GLN  24           HA       GLN  24  -4.639  -7.338   2.725
  166   1HB   GLN  24          HB2       GLN  24  -7.013  -8.283   4.120
  167   2HB   GLN  24          HB1       GLN  24  -6.808  -9.101   2.575
  168   1HG   GLN  24          HG2       GLN  24  -4.311  -9.310   3.459
  169   2HG   GLN  24          HG1       GLN  24  -5.137  -9.191   5.016
  170   1HE2  GLN  24          HE21      GLN  24  -4.352 -11.363   5.353
  171   2HE2  GLN  24          HE22      GLN  24  -5.229 -12.695   4.691
  172    H    VAL  25           HN       VAL  25  -7.963  -6.379   2.023
  173    HA   VAL  25           HA       VAL  25  -7.996  -7.226  -0.593
  174    HB   VAL  25           HB       VAL  25  -9.532  -4.885   0.478
  175   1HG1  VAL  25          HG11      VAL  25  -9.805  -6.622  -1.888
  176   2HG1  VAL  25          HG12      VAL  25  -9.928  -4.873  -1.748
  177   3HG1  VAL  25          HG13      VAL  25 -11.240  -5.897  -1.165
  178   1HG2  VAL  25          HG21      VAL  25 -11.324  -6.792   0.718
  179   2HG2  VAL  25          HG22      VAL  25 -10.145  -6.496   1.996
  180   3HG2  VAL  25          HG23      VAL  25  -9.894  -7.822   0.858
  181    H    CYS  26           HN       CYS  26  -7.130  -4.181   0.884
  182    HA   CYS  26           HA       CYS  26  -6.631  -2.708  -1.424
  183   1HB   CYS  26          HB2       CYS  26  -6.406  -2.311   1.335
  184   2HB   CYS  26          HB1       CYS  26  -4.841  -1.930   0.636
  185    H    ALA  27           HN       ALA  27  -4.621  -4.744   0.609
  186    HA   ALA  27           HA       ALA  27  -2.166  -4.287  -0.645
  187   1HB   ALA  27          HB1       ALA  27  -2.477  -6.992   0.354
  188   2HB   ALA  27          HB2       ALA  27  -2.980  -5.745   1.489
  189   3HB   ALA  27          HB3       ALA  27  -1.343  -5.724   0.820
  190    H    SER  28           HN       SER  28  -4.743  -6.602  -1.279
  191    HA   SER  28           HA       SER  28  -3.276  -7.879  -3.383
  192   1HB   SER  28          HB2       SER  28  -6.022  -8.174  -2.224
  193   2HB   SER  28          HB1       SER  28  -5.685  -8.860  -3.813
  194    HG   SER  28           HG       SER  28  -4.353  -9.434  -1.376
  195    H    LEU  29           HN       LEU  29  -4.861  -4.973  -3.132
  196    HA   LEU  29           HA       LEU  29  -5.831  -4.951  -5.860
  197   1HB   LEU  29          HB2       LEU  29  -6.482  -3.546  -3.440
  198   2HB   LEU  29          HB1       LEU  29  -6.122  -2.399  -4.718
  199    HG   LEU  29           HG       LEU  29  -7.793  -4.176  -5.988
  200   1HD1  LEU  29          HD11      LEU  29  -8.491  -5.421  -4.146
  201   2HD1  LEU  29          HD12      LEU  29  -9.763  -4.219  -4.339
  202   3HD1  LEU  29          HD13      LEU  29  -8.538  -4.008  -3.085
  203   1HD2  LEU  29          HD21      LEU  29  -9.524  -2.257  -5.123
  204   2HD2  LEU  29          HD22      LEU  29  -8.390  -2.062  -6.461
  205   3HD2  LEU  29          HD23      LEU  29  -7.963  -1.469  -4.852
  206    H    SER  30           HN       SER  30  -3.301  -3.650  -3.834
  207    HA   SER  30           HA       SER  30  -2.192  -2.245  -6.175
  208   1HB   SER  30          HB2       SER  30  -0.918  -0.894  -4.516
  209   2HB   SER  30          HB1       SER  30  -2.665  -0.710  -4.368
  210    HG   SER  30           HG       SER  30  -2.577  -1.559  -2.444
  211    H    GLY  31           HN       GLY  31  -1.755  -4.872  -4.058
  212   1HA   GLY  31          HA2       GLY  31  -0.146  -6.489  -3.988
  213   2HA   GLY  31          HA1       GLY  31   0.546  -5.735  -5.402
  214    H    CYS  32           HN       CYS  32   0.064  -3.799  -2.572
  215    HA   CYS  32           HA       CYS  32   2.933  -3.505  -2.295
  216   1HB   CYS  32          HB2       CYS  32   0.847  -2.104  -0.644
  217   2HB   CYS  32          HB1       CYS  32   2.487  -1.588  -0.996
  218    H    LYS  33           HN       LYS  33   3.773  -3.285  -0.045
  219    HA   LYS  33           HA       LYS  33   2.981  -5.667   1.429
  220   1HB   LYS  33          HB2       LYS  33   5.356  -5.377   0.723
  221   2HB   LYS  33          HB1       LYS  33   5.436  -3.977   1.780
  222   1HG   LYS  33          HG2       LYS  33   4.469  -5.938   3.440
  223   2HG   LYS  33          HG1       LYS  33   5.617  -6.802   2.415
  224   1HD   LYS  33          HD2       LYS  33   6.709  -5.935   4.423
  225   2HD   LYS  33          HD1       LYS  33   7.346  -5.172   2.970
  226   1HE   LYS  33          HE2       LYS  33   6.950  -3.212   3.952
  227   2HE   LYS  33          HE1       LYS  33   5.236  -3.540   3.707
  228   1HZ   LYS  33          HZ1       LYS  33   6.338  -3.082   6.089
  229   2HZ   LYS  33          HZ2       LYS  33   6.419  -4.770   6.053
  230   3HZ   LYS  33          HZ3       LYS  33   4.925  -3.995   5.871
  231    H    ILE  34           HN       ILE  34   1.767  -5.467   3.182
  232    HA   ILE  34           HA       ILE  34   0.953  -2.999   4.242
  233    HB   ILE  34           HB       ILE  34   0.845  -5.664   5.649
  234   1HG1  ILE  34          HG12      ILE  34  -0.106  -5.902   3.450
  235   2HG1  ILE  34          HG11      ILE  34  -1.385  -5.849   4.658
  236   1HG2  ILE  34          HG21      ILE  34  -0.353  -3.008   6.109
  237   2HG2  ILE  34          HG22      ILE  34   0.201  -4.201   7.269
  238   3HG2  ILE  34          HG23      ILE  34  -1.312  -4.441   6.453
  239   1HD1  ILE  34          HD11      ILE  34  -0.510  -3.485   3.020
  240   2HD1  ILE  34          HD12      ILE  34  -1.914  -3.591   4.084
  241   3HD1  ILE  34          HD13      ILE  34  -1.854  -4.545   2.602
  242    H    ILE  35           HN       ILE  35   1.996  -1.624   5.501
  243    HA   ILE  35           HA       ILE  35   4.536  -2.029   6.564
  244    HB   ILE  35           HB       ILE  35   3.592   0.156   6.157
  245   1HG1  ILE  35          HG12      ILE  35   4.063   0.361   9.052
  246   2HG1  ILE  35          HG11      ILE  35   5.280  -0.549   8.188
  247   1HG2  ILE  35          HG21      ILE  35   1.735   0.974   7.130
  248   2HG2  ILE  35          HG22      ILE  35   2.084   0.216   8.684
  249   3HG2  ILE  35          HG23      ILE  35   1.357  -0.685   7.387
  250   1HD1  ILE  35          HD11      ILE  35   5.803   1.841   8.445
  251   2HD1  ILE  35          HD12      ILE  35   4.431   2.194   7.396
  252   3HD1  ILE  35          HD13      ILE  35   5.797   1.267   6.778
  253    H    SER  36           HN       SER  36   5.301  -2.481   8.623
  254    HA   SER  36           HA       SER  36   3.322  -3.471  10.564
  255   1HB   SER  36          HB2       SER  36   4.793  -5.324  11.135
  256   2HB   SER  36          HB1       SER  36   4.458  -5.354   9.400
  257    HG   SER  36           HG       SER  36   6.824  -5.099  10.689
  258    H    ALA  37           HN       ALA  37   4.656  -0.885  10.403
  259    HA   ALA  37           HA       ALA  37   5.348  -0.563  13.098
  260   1HB   ALA  37          HB1       ALA  37   7.826  -0.104  11.548
  261   2HB   ALA  37          HB2       ALA  37   7.414  -1.758  11.910
  262   3HB   ALA  37          HB3       ALA  37   7.611  -0.609  13.222
  263    H    SER  38           HN       SER  38   7.078   1.600  12.944
  264    HA   SER  38           HA       SER  38   5.301   3.554  11.816
  265   1HB   SER  38          HB2       SER  38   7.822   3.888  13.437
  266   2HB   SER  38          HB1       SER  38   6.766   5.206  12.952
  267    HG   SER  38           HG       SER  38   6.278   3.124  14.778
  268    H    THR  39           HN       THR  39   7.518   1.764  10.418
  269    HA   THR  39           HA       THR  39   8.121   3.766   8.402
  270    HB   THR  39           HB       THR  39  10.335   2.061   9.504
  271    HG1  THR  39           HG1      THR  39  10.399   3.339  11.152
  272   1HG2  THR  39          HG21      THR  39  11.239   2.839   7.597
  273   2HG2  THR  39          HG22      THR  39  11.548   4.252   8.600
  274   3HG2  THR  39          HG23      THR  39  10.156   4.230   7.521
  275    H    CYS  40           HN       CYS  40   9.288   2.647   6.508
  276    HA   CYS  40           HA       CYS  40   7.909   0.154   6.011
  277   1HB   CYS  40          HB2       CYS  40   8.312   2.416   4.448
  278   2HB   CYS  40          HB1       CYS  40   9.388   1.204   3.748
  279    HA   PRO  41           HA       PRO  41  11.701  -2.076   6.474
  280   1HB   PRO  41          HB2       PRO  41  10.928  -4.423   5.374
  281   2HB   PRO  41          HB1       PRO  41  10.355  -3.887   6.954
  282   1HG   PRO  41          HG2       PRO  41   8.992  -3.727   4.296
  283   2HG   PRO  41          HG1       PRO  41   8.324  -4.203   5.871
  284   1HD   PRO  41          HD2       PRO  41   7.977  -1.731   4.803
  285   2HD   PRO  41          HD1       PRO  41   8.048  -2.020   6.550
  286    H    SER  42           HN       SER  42  12.709  -3.967   4.801
  287    HA   SER  42           HA       SER  42  13.658  -2.366   2.591
  288   1HB   SER  42          HB2       SER  42  14.952  -4.102   4.143
  289   2HB   SER  42          HB1       SER  42  14.438  -5.233   2.892
  290    HG   SER  42           HG       SER  42  15.873  -2.822   2.450
  291    H    ASP  43           HN       ASP  43  10.989  -2.847   2.270
  292    HA   ASP  43           HA       ASP  43  10.895  -4.811   0.110
  293   1HB   ASP  43          HB2       ASP  43   8.926  -4.082   2.218
  294   2HB   ASP  43          HB1       ASP  43   8.298  -4.526   0.632
  295    H    TYR  44           HN       TYR  44  11.915  -2.457  -0.548
  296    HA   TYR  44           HA       TYR  44  11.693  -0.574  -1.795
  297   1HB   TYR  44          HB2       TYR  44   9.769  -1.023  -3.636
  298   2HB   TYR  44          HB1       TYR  44  11.390  -1.699  -3.726
  299    HD1  TYR  44           HD1      TYR  44   7.863  -2.412  -3.200
  300    HD2  TYR  44           HD2      TYR  44  11.779  -4.062  -3.150
  301    HE1  TYR  44           HE1      TYR  44   6.899  -4.669  -3.232
  302    HE2  TYR  44           HE2      TYR  44  10.833  -6.329  -3.181
  303    HH   TYR  44           HH       TYR  44   7.667  -6.989  -3.972
  304    HA   PRO  45           HA       PRO  45   8.163   1.212   0.447
  305   1HB   PRO  45          HB2       PRO  45   9.419   3.530   1.055
  306   2HB   PRO  45          HB1       PRO  45   9.640   2.054   1.997
  307   1HG   PRO  45          HG2       PRO  45  11.397   3.220  -0.102
  308   2HG   PRO  45          HG1       PRO  45  11.851   2.511   1.436
  309   1HD   PRO  45          HD2       PRO  45  12.032   1.148  -0.861
  310   2HD   PRO  45          HD1       PRO  45  11.687   0.355   0.644
  311    H    LYS  46           HN       LYS  46   7.374   1.184  -1.852
  312    HA   LYS  46           HA       LYS  46   7.102   3.954  -2.735
  313   1HB   LYS  46          HB2       LYS  46   8.739   2.147  -4.080
  314   2HB   LYS  46          HB1       LYS  46   7.241   2.146  -5.008
  315   1HG   LYS  46          HG2       LYS  46   7.393   4.449  -5.464
  316   2HG   LYS  46          HG1       LYS  46   8.642   4.688  -4.232
  317   1HD   LYS  46          HD2       LYS  46   9.095   2.886  -6.585
  318   2HD   LYS  46          HD1       LYS  46   9.359   4.624  -6.696
  319   1HE   LYS  46          HE2       LYS  46  11.210   4.561  -5.399
  320   2HE   LYS  46          HE1       LYS  46  10.571   3.271  -4.375
  321   1HZ   LYS  46          HZ1       LYS  46  10.932   1.888  -6.557
  322   2HZ   LYS  46          HZ2       LYS  46  12.203   2.152  -5.469
  323   3HZ   LYS  46          HZ3       LYS  46  12.082   3.086  -6.873
  Start of MODEL   18
    1   1H    LYS   1          HT1       LYS   1  -0.525   2.977   5.463
    2   2H    LYS   1          HT2       LYS   1   0.179   4.450   5.961
    3   3H    LYS   1          HT3       LYS   1   0.686   2.955   6.595
    4    HA   LYS   1           HA       LYS   1   0.855   3.863   3.799
    5   1HB   LYS   1          HB2       LYS   1   3.245   3.991   4.251
    6   2HB   LYS   1          HB1       LYS   1   2.370   4.994   5.406
    7   1HG   LYS   1          HG2       LYS   1   2.688   2.352   6.467
    8   2HG   LYS   1          HG1       LYS   1   4.251   2.979   5.937
    9   1HD   LYS   1          HD2       LYS   1   4.235   4.687   7.462
   10   2HD   LYS   1          HD1       LYS   1   2.472   4.775   7.506
   11   1HE   LYS   1          HE2       LYS   1   2.865   2.309   8.524
   12   2HE   LYS   1          HE1       LYS   1   4.329   3.122   9.082
   13   1HZ   LYS   1          HZ1       LYS   1   2.596   4.949   9.765
   14   2HZ   LYS   1          HZ2       LYS   1   2.910   3.623  10.773
   15   3HZ   LYS   1          HZ3       LYS   1   1.533   3.631   9.787
   16    H    SER   2           HN       SER   2   2.638   2.440   2.746
   17    HA   SER   2           HA       SER   2   2.728  -0.222   3.584
   18   1HB   SER   2          HB2       SER   2   1.570  -1.182   1.700
   19   2HB   SER   2          HB1       SER   2   0.478  -0.069   2.503
   20    HG   SER   2           HG       SER   2   0.296   0.631   0.546
   21    H    CYS   3           HN       CYS   3   3.993  -1.563   2.061
   22    HA   CYS   3           HA       CYS   3   6.047   0.022   0.762
   23   1HB   CYS   3          HB2       CYS   3   6.128  -2.285   2.404
   24   2HB   CYS   3          HB1       CYS   3   6.982  -2.540   0.886
   25    H    CYS   4           HN       CYS   4   5.289   0.329  -1.202
   26    HA   CYS   4           HA       CYS   4   4.697  -1.997  -2.791
   27   1HB   CYS   4          HB2       CYS   4   3.252   0.342  -2.512
   28   2HB   CYS   4          HB1       CYS   4   3.918   0.335  -4.136
   29    HA   PRO   5           HA       PRO   5   8.340  -1.500  -5.202
   30   1HB   PRO   5          HB2       PRO   5   7.265  -1.917  -7.745
   31   2HB   PRO   5          HB1       PRO   5   7.815  -3.175  -6.636
   32   1HG   PRO   5          HG2       PRO   5   5.051  -2.165  -7.145
   33   2HG   PRO   5          HG1       PRO   5   5.606  -3.826  -6.843
   34   1HD   PRO   5          HD2       PRO   5   4.393  -2.401  -4.936
   35   2HD   PRO   5          HD1       PRO   5   5.738  -3.496  -4.550
   36    H    ASN   6           HN       ASN   6   5.438   0.098  -6.404
   37    HA   ASN   6           HA       ASN   6   7.107   2.430  -6.931
   38   1HB   ASN   6          HB2       ASN   6   5.626   2.682  -9.110
   39   2HB   ASN   6          HB1       ASN   6   7.114   1.747  -9.127
   40   1HD2  ASN   6          HD21      ASN   6   3.744   1.169  -8.153
   41   2HD2  ASN   6          HD22      ASN   6   3.575  -0.226  -9.037
   42    H    THR   7           HN       THR   7   5.930   4.419  -7.095
   43    HA   THR   7           HA       THR   7   3.947   4.758  -5.192
   44    HB   THR   7           HB       THR   7   4.414   6.532  -7.589
   45    HG1  THR   7           HG1      THR   7   5.756   6.396  -5.097
   46   1HG2  THR   7          HG21      THR   7   2.454   7.178  -6.313
   47   2HG2  THR   7          HG22      THR   7   3.755   8.353  -6.125
   48   3HG2  THR   7          HG23      THR   7   3.414   7.201  -4.837
   49    H    THR   8           HN       THR   8   3.664   3.672  -8.433
   50    HA   THR   8           HA       THR   8   1.089   4.416  -9.132
   51    HB   THR   8           HB       THR   8   2.063   1.645  -9.722
   52    HG1  THR   8           HG1      THR   8   3.105   4.016 -10.881
   53   1HG2  THR   8          HG21      THR   8   1.259   2.155 -11.974
   54   2HG2  THR   8          HG22      THR   8   0.770   3.754 -11.435
   55   3HG2  THR   8          HG23      THR   8   0.000   2.322 -10.768
   56    H    GLY   9           HN       GLY   9   2.206   1.797  -7.059
   57   1HA   GLY   9          HA2       GLY   9  -0.166   0.479  -6.698
   58   2HA   GLY   9          HA1       GLY   9   1.075   0.489  -5.553
   59    H    ARG  10           HN       ARG  10   1.139   3.311  -5.153
   60    HA   ARG  10           HA       ARG  10  -0.610   3.561  -3.045
   61   1HB   ARG  10          HB2       ARG  10   1.437   4.863  -3.285
   62   2HB   ARG  10          HB1       ARG  10   0.659   5.813  -4.546
   63   1HG   ARG  10          HG2       ARG  10   0.459   7.135  -2.657
   64   2HG   ARG  10          HG1       ARG  10  -1.035   6.344  -2.780
   65   1HD   ARG  10          HD2       ARG  10  -0.474   6.148  -0.518
   66   2HD   ARG  10          HD1       ARG  10  -0.059   4.577  -1.204
   67    HE   ARG  10           HE       ARG  10   2.175   5.974  -1.372
   68   1HH1  ARG  10          HH11      ARG  10   0.012   5.321   1.159
   69   2HH1  ARG  10          HH12      ARG  10   1.181   5.376   2.382
   70   1HH2  ARG  10          HH21      ARG  10   3.791   6.035   0.177
   71   2HH2  ARG  10          HH22      ARG  10   3.361   5.780   1.810
   72    H    ASN  11           HN       ASN  11  -0.847   4.177  -6.436
   73    HA   ASN  11           HA       ASN  11  -3.075   5.936  -6.388
   74   1HB   ASN  11          HB2       ASN  11  -1.397   5.113  -8.343
   75   2HB   ASN  11          HB1       ASN  11  -2.780   4.081  -8.681
   76   1HD2  ASN  11          HD21      ASN  11  -1.731   7.407  -8.320
   77   2HD2  ASN  11          HD22      ASN  11  -2.986   8.105  -9.276
   78    H    ILE  12           HN       ILE  12  -2.802   2.447  -6.991
   79    HA   ILE  12           HA       ILE  12  -5.562   1.917  -7.065
   80    HB   ILE  12           HB       ILE  12  -3.389   0.082  -6.147
   81   1HG1  ILE  12          HG12      ILE  12  -4.333  -0.017  -8.942
   82   2HG1  ILE  12          HG11      ILE  12  -3.380   1.324  -8.543
   83   1HG2  ILE  12          HG21      ILE  12  -6.002  -0.504  -7.514
   84   2HG2  ILE  12          HG22      ILE  12  -5.771  -0.549  -5.764
   85   3HG2  ILE  12          HG23      ILE  12  -4.866  -1.647  -6.800
   86   1HD1  ILE  12          HD11      ILE  12  -2.027  -0.789  -7.439
   87   2HD1  ILE  12          HD12      ILE  12  -1.554   0.162  -8.823
   88   3HD1  ILE  12          HD13      ILE  12  -2.518  -1.258  -9.067
   89    H    TYR  13           HN       TYR  13  -3.169   1.829  -4.465
   90    HA   TYR  13           HA       TYR  13  -4.743   0.850  -2.392
   91   1HB   TYR  13          HB2       TYR  13  -2.183   1.832  -2.638
   92   2HB   TYR  13          HB1       TYR  13  -2.948   3.032  -1.608
   93    HD1  TYR  13           HD1      TYR  13  -1.305  -0.019  -1.686
   94    HD2  TYR  13           HD2      TYR  13  -4.257   2.105   0.375
   95    HE1  TYR  13           HE1      TYR  13  -0.989  -1.489   0.179
   96    HE2  TYR  13           HE2      TYR  13  -3.942   0.640   2.314
   97    HH   TYR  13           HH       TYR  13  -1.759  -0.829   3.122
   98    H    ASN  14           HN       ASN  14  -4.402   4.090  -3.700
   99    HA   ASN  14           HA       ASN  14  -6.040   5.354  -1.750
  100   1HB   ASN  14          HB2       ASN  14  -4.514   6.149  -4.053
  101   2HB   ASN  14          HB1       ASN  14  -6.105   6.883  -4.127
  102   1HD2  ASN  14          HD21      ASN  14  -3.029   7.081  -2.830
  103   2HD2  ASN  14          HD22      ASN  14  -3.326   8.303  -1.645
  104    H    THR  15           HN       THR  15  -6.646   4.388  -5.129
  105    HA   THR  15           HA       THR  15  -9.327   5.136  -5.256
  106    HB   THR  15           HB       THR  15  -8.689   2.631  -6.643
  107    HG1  THR  15           HG1      THR  15  -7.045   3.415  -7.851
  108   1HG2  THR  15          HG21      THR  15  -9.065   4.436  -8.584
  109   2HG2  THR  15          HG22      THR  15  -9.920   5.229  -7.262
  110   3HG2  THR  15          HG23      THR  15 -10.383   3.599  -7.760
  111    H    CYS  16           HN       CYS  16  -7.790   2.324  -3.897
  112    HA   CYS  16           HA       CYS  16 -10.189   0.847  -3.446
  113   1HB   CYS  16          HB2       CYS  16  -8.519  -0.592  -3.408
  114   2HB   CYS  16          HB1       CYS  16  -7.314   0.518  -2.999
  115    H    ARG  17           HN       ARG  17  -7.921   2.507  -1.269
  116    HA   ARG  17           HA       ARG  17  -9.320   2.252   1.005
  117   1HB   ARG  17          HB2       ARG  17  -7.229   3.958   0.038
  118   2HB   ARG  17          HB1       ARG  17  -8.229   4.801   1.151
  119   1HG   ARG  17          HG2       ARG  17  -7.525   2.135   2.044
  120   2HG   ARG  17          HG1       ARG  17  -6.102   3.120   1.693
  121   1HD   ARG  17          HD2       ARG  17  -8.380   3.829   3.541
  122   2HD   ARG  17          HD1       ARG  17  -6.740   3.393   4.012
  123    HE   ARG  17           HE       ARG  17  -6.577   5.593   2.306
  124   1HH1  ARG  17          HH11      ARG  17  -7.824   4.814   5.476
  125   2HH1  ARG  17          HH12      ARG  17  -7.605   6.414   6.095
  126   1HH2  ARG  17          HH21      ARG  17  -6.289   7.699   3.121
  127   2HH2  ARG  17          HH22      ARG  17  -6.737   8.058   4.754
  128    H    PHE  18           HN       PHE  18  -9.548   4.924  -1.236
  129    HA   PHE  18           HA       PHE  18 -11.751   6.107   0.130
  130   1HB   PHE  18          HB2       PHE  18 -10.443   6.731  -2.491
  131   2HB   PHE  18          HB1       PHE  18 -11.797   7.652  -1.841
  132    HD1  PHE  18           HD1      PHE  18  -8.392   6.485  -0.873
  133    HD2  PHE  18           HD2      PHE  18 -11.369   9.513  -0.570
  134    HE1  PHE  18           HE1      PHE  18  -6.825   7.890   0.371
  135    HE2  PHE  18           HE2      PHE  18  -9.803  10.927   0.645
  136    HZ   PHE  18           HZ       PHE  18  -7.533  10.118   1.110
  137    H    GLY  19           HN       GLY  19 -11.425   3.529  -1.936
  138   1HA   GLY  19          HA2       GLY  19 -14.031   3.921  -3.182
  139   2HA   GLY  19          HA1       GLY  19 -12.861   2.681  -3.602
  140    H    GLY  20           HN       GLY  20 -12.550   2.157  -0.602
  141   1HA   GLY  20          HA2       GLY  20 -14.211   1.322   0.970
  142   2HA   GLY  20          HA1       GLY  20 -15.032   0.599  -0.309
  143    H    GLY  21           HN       GLY  21 -11.601   0.692   0.577
  144   1HA   GLY  21          HA2       GLY  21 -11.658  -2.134   0.872
  145   2HA   GLY  21          HA1       GLY  21 -10.480  -1.409  -0.131
  146    H    SER  22           HN       SER  22 -10.730  -2.729   2.677
  147    HA   SER  22           HA       SER  22  -9.488  -0.968   4.456
  148   1HB   SER  22          HB2       SER  22 -10.690  -3.218   4.925
  149   2HB   SER  22          HB1       SER  22  -9.128  -3.953   4.571
  150    HG   SER  22           HG       SER  22  -9.057  -3.597   6.710
  151    H    ARG  23           HN       ARG  23  -7.312  -2.885   5.232
  152    HA   ARG  23           HA       ARG  23  -5.317  -1.780   3.464
  153   1HB   ARG  23          HB2       ARG  23  -5.056  -3.262   6.067
  154   2HB   ARG  23          HB1       ARG  23  -3.701  -2.623   5.154
  155   1HG   ARG  23          HG2       ARG  23  -5.854  -1.163   6.631
  156   2HG   ARG  23          HG1       ARG  23  -4.103  -1.025   6.791
  157   1HD   ARG  23          HD2       ARG  23  -4.623   0.802   5.637
  158   2HD   ARG  23          HD1       ARG  23  -4.204  -0.213   4.327
  159    HE   ARG  23           HE       ARG  23  -6.408  -0.204   3.632
  160   1HH1  ARG  23          HH11      ARG  23  -6.148   1.294   6.737
  161   2HH1  ARG  23          HH12      ARG  23  -7.749   1.945   6.678
  162   1HH2  ARG  23          HH21      ARG  23  -8.513   0.574   3.562
  163   2HH2  ARG  23          HH22      ARG  23  -9.095   1.536   4.874
  164    H    GLN  24           HN       GLN  24  -6.547  -4.912   4.465
  165    HA   GLN  24           HA       GLN  24  -4.590  -6.439   3.091
  166   1HB   GLN  24          HB2       GLN  24  -7.039  -6.943   4.577
  167   2HB   GLN  24          HB1       GLN  24  -6.920  -7.980   3.162
  168   1HG   GLN  24          HG2       GLN  24  -4.451  -8.298   4.099
  169   2HG   GLN  24          HG1       GLN  24  -5.270  -7.917   5.613
  170   1HE2  GLN  24          HE21      GLN  24  -5.220  -9.879   6.563
  171   2HE2  GLN  24          HE22      GLN  24  -6.003 -11.283   5.933
  172    H    VAL  25           HN       VAL  25  -7.875  -5.419   2.262
  173    HA   VAL  25           HA       VAL  25  -7.968  -6.565  -0.189
  174    HB   VAL  25           HB       VAL  25  -9.356  -4.026   0.599
  175   1HG1  VAL  25          HG11      VAL  25  -9.727  -5.917  -1.599
  176   2HG1  VAL  25          HG12      VAL  25  -9.707  -4.155  -1.602
  177   3HG1  VAL  25          HG13      VAL  25 -11.106  -5.021  -0.964
  178   1HG2  VAL  25          HG21      VAL  25 -11.272  -5.658   1.044
  179   2HG2  VAL  25          HG22      VAL  25  -9.963  -5.595   2.225
  180   3HG2  VAL  25          HG23      VAL  25 -10.033  -6.913   1.052
  181    H    CYS  26           HN       CYS  26  -6.883  -3.407   0.837
  182    HA   CYS  26           HA       CYS  26  -6.316  -2.313  -1.621
  183   1HB   CYS  26          HB2       CYS  26  -5.912  -1.597   1.074
  184   2HB   CYS  26          HB1       CYS  26  -4.494  -1.208   0.171
  185    H    ALA  27           HN       ALA  27  -4.449  -4.172   0.639
  186    HA   ALA  27           HA       ALA  27  -1.951  -4.018  -0.562
  187   1HB   ALA  27          HB1       ALA  27  -1.867  -6.455   0.584
  188   2HB   ALA  27          HB2       ALA  27  -3.153  -5.641   1.477
  189   3HB   ALA  27          HB3       ALA  27  -1.556  -4.908   1.376
  190    H    SER  28           HN       SER  28  -4.677  -6.189  -1.008
  191    HA   SER  28           HA       SER  28  -3.254  -7.817  -2.898
  192   1HB   SER  28          HB2       SER  28  -5.017  -8.794  -1.453
  193   2HB   SER  28          HB1       SER  28  -6.209  -7.757  -2.238
  194    HG   SER  28           HG       SER  28  -6.256  -9.077  -3.877
  195    H    LEU  29           HN       LEU  29  -4.663  -4.810  -3.029
  196    HA   LEU  29           HA       LEU  29  -5.541  -5.060  -5.779
  197   1HB   LEU  29          HB2       LEU  29  -6.184  -3.332  -3.566
  198   2HB   LEU  29          HB1       LEU  29  -5.722  -2.374  -4.962
  199    HG   LEU  29           HG       LEU  29  -8.149  -2.742  -4.831
  200   1HD1  LEU  29          HD11      LEU  29  -7.197  -2.328  -6.995
  201   2HD1  LEU  29          HD12      LEU  29  -8.443  -3.566  -7.153
  202   3HD1  LEU  29          HD13      LEU  29  -6.741  -4.022  -7.164
  203   1HD2  LEU  29          HD21      LEU  29  -7.606  -5.207  -3.946
  204   2HD2  LEU  29          HD22      LEU  29  -7.896  -5.565  -5.650
  205   3HD2  LEU  29          HD23      LEU  29  -9.139  -4.769  -4.687
  206    H    SER  30           HN       SER  30  -3.006  -3.655  -3.830
  207    HA   SER  30           HA       SER  30  -1.731  -2.638  -6.283
  208   1HB   SER  30          HB2       SER  30  -0.376  -1.239  -4.575
  209   2HB   SER  30          HB1       SER  30  -2.032  -0.758  -4.923
  210    HG   SER  30           HG       SER  30  -1.363  -2.463  -2.771
  211    H    GLY  31           HN       GLY  31  -1.529  -4.990  -3.834
  212   1HA   GLY  31          HA2       GLY  31  -0.044  -6.665  -3.523
  213   2HA   GLY  31          HA1       GLY  31   0.788  -6.060  -4.925
  214    H    CYS  32           HN       CYS  32   0.201  -3.808  -2.375
  215    HA   CYS  32           HA       CYS  32   3.020  -3.516  -1.928
  216   1HB   CYS  32          HB2       CYS  32   0.897  -2.249  -0.224
  217   2HB   CYS  32          HB1       CYS  32   2.498  -1.634  -0.618
  218    H    LYS  33           HN       LYS  33   3.854  -3.368   0.268
  219    HA   LYS  33           HA       LYS  33   3.039  -5.788   1.710
  220   1HB   LYS  33          HB2       LYS  33   5.404  -5.561   0.952
  221   2HB   LYS  33          HB1       LYS  33   5.561  -4.179   2.025
  222   1HG   LYS  33          HG2       LYS  33   4.581  -6.106   3.701
  223   2HG   LYS  33          HG1       LYS  33   5.646  -7.020   2.628
  224   1HD   LYS  33          HD2       LYS  33   6.855  -6.219   4.595
  225   2HD   LYS  33          HD1       LYS  33   7.471  -5.466   3.124
  226   1HE   LYS  33          HE2       LYS  33   7.194  -3.504   4.132
  227   2HE   LYS  33          HE1       LYS  33   5.456  -3.763   3.973
  228   1HZ   LYS  33          HZ1       LYS  33   5.247  -4.287   6.146
  229   2HZ   LYS  33          HZ2       LYS  33   6.641  -3.339   6.298
  230   3HZ   LYS  33          HZ3       LYS  33   6.758  -5.029   6.244
  231    H    ILE  34           HN       ILE  34   1.828  -5.552   3.461
  232    HA   ILE  34           HA       ILE  34   1.141  -3.091   4.587
  233    HB   ILE  34           HB       ILE  34   0.987  -5.772   5.972
  234   1HG1  ILE  34          HG12      ILE  34  -0.007  -5.990   3.814
  235   2HG1  ILE  34          HG11      ILE  34  -1.244  -5.864   5.034
  236   1HG2  ILE  34          HG21      ILE  34   0.002  -3.079   6.543
  237   2HG2  ILE  34          HG22      ILE  34   0.336  -4.405   7.638
  238   3HG2  ILE  34          HG23      ILE  34  -1.112  -4.405   6.756
  239   1HD1  ILE  34          HD11      ILE  34  -0.370  -3.823   3.027
  240   2HD1  ILE  34          HD12      ILE  34  -1.303  -3.379   4.456
  241   3HD1  ILE  34          HD13      ILE  34  -1.974  -4.511   3.284
  242    H    ILE  35           HN       ILE  35   2.229  -1.769   5.866
  243    HA   ILE  35           HA       ILE  35   4.793  -2.269   6.852
  244    HB   ILE  35           HB       ILE  35   3.907  -0.055   6.484
  245   1HG1  ILE  35          HG12      ILE  35   4.481   0.083   9.360
  246   2HG1  ILE  35          HG11      ILE  35   5.631  -0.820   8.460
  247   1HG2  ILE  35          HG21      ILE  35   2.102   0.770   7.506
  248   2HG2  ILE  35          HG22      ILE  35   2.491   0.035   9.055
  249   3HG2  ILE  35          HG23      ILE  35   1.695  -0.838   7.805
  250   1HD1  ILE  35          HD11      ILE  35   6.064   1.626   8.768
  251   2HD1  ILE  35          HD12      ILE  35   4.890   1.812   7.469
  252   3HD1  ILE  35          HD13      ILE  35   6.360   0.882   7.197
  253    H    SER  36           HN       SER  36   5.600  -2.762   8.889
  254    HA   SER  36           HA       SER  36   3.636  -3.686  10.882
  255   1HB   SER  36          HB2       SER  36   5.062  -5.444   9.430
  256   2HB   SER  36          HB1       SER  36   6.223  -5.128  10.721
  257    HG   SER  36           HG       SER  36   3.525  -5.793  11.226
  258    H    ALA  37           HN       ALA  37   5.106  -1.172  10.671
  259    HA   ALA  37           HA       ALA  37   5.903  -0.880  13.344
  260   1HB   ALA  37          HB1       ALA  37   8.347  -0.584  11.701
  261   2HB   ALA  37          HB2       ALA  37   7.852  -2.206  12.112
  262   3HB   ALA  37          HB3       ALA  37   8.164  -1.040  13.396
  263    H    SER  38           HN       SER  38   7.757   1.134  13.114
  264    HA   SER  38           HA       SER  38   6.052   3.183  12.027
  265   1HB   SER  38          HB2       SER  38   8.342   3.115  13.919
  266   2HB   SER  38          HB1       SER  38   8.074   4.611  13.026
  267    HG   SER  38           HG       SER  38   6.378   3.307  14.856
  268    H    THR  39           HN       THR  39   8.103   1.277  10.558
  269    HA   THR  39           HA       THR  39   8.820   3.267   8.577
  270    HB   THR  39           HB       THR  39  10.902   1.355   9.585
  271    HG1  THR  39           HG1      THR  39  10.527   2.659  11.314
  272   1HG2  THR  39          HG21      THR  39  11.659   2.129   7.549
  273   2HG2  THR  39          HG22      THR  39  12.385   3.266   8.684
  274   3HG2  THR  39          HG23      THR  39  10.940   3.724   7.778
  275    H    CYS  40           HN       CYS  40   9.855   2.098   6.622
  276    HA   CYS  40           HA       CYS  40   8.322  -0.274   6.158
  277   1HB   CYS  40          HB2       CYS  40   8.554   1.978   4.648
  278   2HB   CYS  40          HB1       CYS  40   9.590   0.828   3.811
  279    HA   PRO  41           HA       PRO  41  12.122  -2.567   6.274
  280   1HB   PRO  41          HB2       PRO  41  11.212  -4.844   5.082
  281   2HB   PRO  41          HB1       PRO  41  10.867  -4.423   6.763
  282   1HG   PRO  41          HG2       PRO  41   9.151  -4.075   4.336
  283   2HG   PRO  41          HG1       PRO  41   8.702  -4.649   5.952
  284   1HD   PRO  41          HD2       PRO  41   8.206  -2.129   5.139
  285   2HD   PRO  41          HD1       PRO  41   8.608  -2.515   6.823
  286    H    SER  42           HN       SER  42  12.972  -4.383   4.430
  287    HA   SER  42           HA       SER  42  13.749  -2.679   2.229
  288   1HB   SER  42          HB2       SER  42  15.137  -4.514   3.594
  289   2HB   SER  42          HB1       SER  42  14.530  -5.554   2.307
  290    HG   SER  42           HG       SER  42  16.131  -3.240   2.076
  291    H    ASP  43           HN       ASP  43  11.059  -3.136   2.112
  292    HA   ASP  43           HA       ASP  43  10.754  -5.020  -0.060
  293   1HB   ASP  43          HB2       ASP  43   8.963  -4.257   2.153
  294   2HB   ASP  43          HB1       ASP  43   8.206  -4.612   0.599
  295    H    TYR  44           HN       TYR  44  11.845  -2.672  -0.691
  296    HA   TYR  44           HA       TYR  44  11.620  -0.739  -1.891
  297   1HB   TYR  44          HB2       TYR  44   9.621  -1.110  -3.677
  298   2HB   TYR  44          HB1       TYR  44  11.222  -1.824  -3.842
  299    HD1  TYR  44           HD1      TYR  44  11.567  -4.211  -3.344
  300    HD2  TYR  44           HD2      TYR  44   7.692  -2.461  -3.181
  301    HE1  TYR  44           HE1      TYR  44  10.557  -6.451  -3.387
  302    HE2  TYR  44           HE2      TYR  44   6.669  -4.697  -3.231
  303    HH   TYR  44           HH       TYR  44   7.750  -7.193  -4.236
  304    HA   PRO  45           HA       PRO  45   8.193   1.003   0.478
  305   1HB   PRO  45          HB2       PRO  45   9.547   3.247   1.166
  306   2HB   PRO  45          HB1       PRO  45   9.718   1.719   2.039
  307   1HG   PRO  45          HG2       PRO  45  11.495   2.913  -0.011
  308   2HG   PRO  45          HG1       PRO  45  11.938   2.119   1.472
  309   1HD   PRO  45          HD2       PRO  45  12.043   0.852  -0.843
  310   2HD   PRO  45          HD1       PRO  45  11.682   0.013   0.593
  311    H    LYS  46           HN       LYS  46   7.358   1.105  -1.753
  312    HA   LYS  46           HA       LYS  46   7.216   3.915  -2.540
  313   1HB   LYS  46          HB2       LYS  46   8.691   2.052  -3.985
  314   2HB   LYS  46          HB1       LYS  46   7.165   2.164  -4.859
  315   1HG   LYS  46          HG2       LYS  46   7.495   4.365  -5.424
  316   2HG   LYS  46          HG1       LYS  46   8.557   4.671  -4.054
  317   1HD   LYS  46          HD2       LYS  46   9.345   2.829  -6.285
  318   2HD   LYS  46          HD1       LYS  46   9.619   4.570  -6.381
  319   1HE   LYS  46          HE2       LYS  46  10.769   4.312  -4.104
  320   2HE   LYS  46          HE1       LYS  46  10.789   2.585  -4.458
  321   1HZ   LYS  46          HZ1       LYS  46  11.860   3.329  -6.655
  322   2HZ   LYS  46          HZ2       LYS  46  12.816   3.309  -5.261
  323   3HZ   LYS  46          HZ3       LYS  46  12.199   4.771  -5.844
  Start of MODEL   19
    1   1H    LYS   1          HT1       LYS   1  -1.599   2.874   4.158
    2   2H    LYS   1          HT2       LYS   1  -0.836   4.218   4.906
    3   3H    LYS   1          HT3       LYS   1  -0.500   2.623   5.451
    4    HA   LYS   1           HA       LYS   1   0.031   3.569   2.729
    5   1HB   LYS   1          HB2       LYS   1   2.262   3.950   3.464
    6   2HB   LYS   1          HB1       LYS   1   1.178   4.920   4.439
    7   1HG   LYS   1          HG2       LYS   1   1.393   2.586   5.882
    8   2HG   LYS   1          HG1       LYS   1   3.014   2.822   5.231
    9   1HD   LYS   1          HD2       LYS   1   2.837   5.220   6.062
   10   2HD   LYS   1          HD1       LYS   1   1.418   4.687   6.965
   11   1HE   LYS   1          HE2       LYS   1   2.644   3.541   8.471
   12   2HE   LYS   1          HE1       LYS   1   3.808   3.001   7.259
   13   1HZ   LYS   1          HZ1       LYS   1   4.345   5.612   7.373
   14   2HZ   LYS   1          HZ2       LYS   1   5.153   4.446   8.296
   15   3HZ   LYS   1          HZ3       LYS   1   3.880   5.327   8.977
   16    H    SER   2           HN       SER   2   1.987   2.246   2.005
   17    HA   SER   2           HA       SER   2   2.268  -0.338   3.055
   18   1HB   SER   2          HB2       SER   2   1.332  -1.550   1.194
   19   2HB   SER   2          HB1       SER   2   0.130  -0.529   1.891
   20    HG   SER   2           HG       SER   2   0.699   0.931   0.199
   21    H    CYS   3           HN       CYS   3   3.913  -1.518   1.967
   22    HA   CYS   3           HA       CYS   3   5.787   0.134   0.564
   23   1HB   CYS   3          HB2       CYS   3   6.000  -2.045   2.345
   24   2HB   CYS   3          HB1       CYS   3   6.913  -2.350   0.873
   25    H    CYS   4           HN       CYS   4   5.170   0.292  -1.453
   26    HA   CYS   4           HA       CYS   4   4.819  -2.130  -2.963
   27   1HB   CYS   4          HB2       CYS   4   3.272   0.147  -2.913
   28   2HB   CYS   4          HB1       CYS   4   4.088   0.139  -4.469
   29    HA   PRO   5           HA       PRO   5   8.623  -1.463  -5.076
   30   1HB   PRO   5          HB2       PRO   5   8.004  -2.392  -7.577
   31   2HB   PRO   5          HB1       PRO   5   8.355  -3.432  -6.190
   32   1HG   PRO   5          HG2       PRO   5   5.713  -2.617  -7.327
   33   2HG   PRO   5          HG1       PRO   5   6.235  -4.200  -6.730
   34   1HD   PRO   5          HD2       PRO   5   4.695  -2.570  -5.250
   35   2HD   PRO   5          HD1       PRO   5   5.921  -3.618  -4.515
   36    H    ASN   6           HN       ASN   6   5.675  -0.154  -6.425
   37    HA   ASN   6           HA       ASN   6   7.257   2.006  -7.511
   38   1HB   ASN   6          HB2       ASN   6   5.387   1.931  -9.425
   39   2HB   ASN   6          HB1       ASN   6   6.916   1.069  -9.564
   40   1HD2  ASN   6          HD21      ASN   6   4.106   0.263  -7.593
   41   2HD2  ASN   6          HD22      ASN   6   3.778  -1.161  -8.365
   42    H    THR   7           HN       THR   7   6.326   3.996  -7.355
   43    HA   THR   7           HA       THR   7   4.459   4.509  -5.390
   44    HB   THR   7           HB       THR   7   5.043   6.209  -7.819
   45    HG1  THR   7           HG1      THR   7   6.245   6.298  -5.259
   46   1HG2  THR   7          HG21      THR   7   3.247   7.292  -6.860
   47   2HG2  THR   7          HG22      THR   7   4.629   8.059  -6.073
   48   3HG2  THR   7          HG23      THR   7   3.710   6.818  -5.222
   49    H    THR   8           HN       THR   8   3.926   3.488  -8.623
   50    HA   THR   8           HA       THR   8   1.326   4.444  -9.050
   51    HB   THR   8           HB       THR   8   2.523   1.859 -10.067
   52    HG1  THR   8           HG1      THR   8   2.637   4.481 -11.134
   53   1HG2  THR   8          HG21      THR   8   1.055   2.065 -11.940
   54   2HG2  THR   8          HG22      THR   8   0.427   3.597 -11.342
   55   3HG2  THR   8          HG23      THR   8   0.095   2.104 -10.465
   56    H    GLY   9           HN       GLY   9   2.526   1.469  -7.567
   57   1HA   GLY   9          HA2       GLY   9   0.070   0.233  -7.142
   58   2HA   GLY   9          HA1       GLY   9   1.504   0.009  -6.156
   59    H    ARG  10           HN       ARG  10   1.786   2.587  -5.189
   60    HA   ARG  10           HA       ARG  10   0.100   2.511  -2.974
   61   1HB   ARG  10          HB2       ARG  10   2.322   3.984  -3.746
   62   2HB   ARG  10          HB1       ARG  10   1.071   5.171  -3.416
   63   1HG   ARG  10          HG2       ARG  10   0.946   3.293  -1.330
   64   2HG   ARG  10          HG1       ARG  10   2.654   3.654  -1.576
   65   1HD   ARG  10          HD2       ARG  10   0.456   5.578  -0.989
   66   2HD   ARG  10          HD1       ARG  10   1.834   5.224   0.000
   67    HE   ARG  10           HE       ARG  10   2.645   6.200  -2.511
   68   1HH1  ARG  10          HH11      ARG  10   1.203   7.269   0.426
   69   2HH1  ARG  10          HH12      ARG  10   1.799   8.891   0.292
   70   1HH2  ARG  10          HH21      ARG  10   3.431   8.327  -2.702
   71   2HH2  ARG  10          HH22      ARG  10   3.062   9.493  -1.478
   72    H    ASN  11           HN       ASN  11  -0.173   3.865  -6.130
   73    HA   ASN  11           HA       ASN  11  -2.159   5.800  -5.598
   74   1HB   ASN  11          HB2       ASN  11  -0.735   5.054  -7.819
   75   2HB   ASN  11          HB1       ASN  11  -2.338   4.429  -8.203
   76   1HD2  ASN  11          HD21      ASN  11  -0.340   7.175  -8.001
   77   2HD2  ASN  11          HD22      ASN  11  -1.523   8.361  -8.414
   78    H    ILE  12           HN       ILE  12  -2.266   2.410  -6.572
   79    HA   ILE  12           HA       ILE  12  -5.073   2.153  -6.659
   80    HB   ILE  12           HB       ILE  12  -3.030   0.055  -6.014
   81   1HG1  ILE  12          HG12      ILE  12  -4.187   0.434  -8.746
   82   2HG1  ILE  12          HG11      ILE  12  -2.888   1.465  -8.234
   83   1HG2  ILE  12          HG21      ILE  12  -5.929   0.037  -6.526
   84   2HG2  ILE  12          HG22      ILE  12  -4.930  -1.051  -5.620
   85   3HG2  ILE  12          HG23      ILE  12  -4.997  -1.150  -7.382
   86   1HD1  ILE  12          HD11      ILE  12  -2.341  -1.261  -7.704
   87   2HD1  ILE  12          HD12      ILE  12  -1.345  -0.033  -8.492
   88   3HD1  ILE  12          HD13      ILE  12  -2.580  -0.894  -9.415
   89    H    TYR  13           HN       TYR  13  -2.664   1.535  -4.143
   90    HA   TYR  13           HA       TYR  13  -4.303   0.515  -2.139
   91   1HB   TYR  13          HB2       TYR  13  -1.655   1.240  -2.336
   92   2HB   TYR  13          HB1       TYR  13  -2.275   2.427  -1.197
   93    HD1  TYR  13           HD1      TYR  13  -1.148  -0.856  -1.617
   94    HD2  TYR  13           HD2      TYR  13  -3.509   1.581   0.787
   95    HE1  TYR  13           HE1      TYR  13  -0.977  -2.505   0.118
   96    HE2  TYR  13           HE2      TYR  13  -3.345  -0.008   2.607
   97    HH   TYR  13           HH       TYR  13  -1.651  -1.849   3.261
   98    H    ASN  14           HN       ASN  14  -3.636   3.832  -3.090
   99    HA   ASN  14           HA       ASN  14  -5.100   5.050  -0.988
  100   1HB   ASN  14          HB2       ASN  14  -3.561   5.907  -3.258
  101   2HB   ASN  14          HB1       ASN  14  -5.080   6.793  -3.220
  102   1HD2  ASN  14          HD21      ASN  14  -1.974   6.510  -1.948
  103   2HD2  ASN  14          HD22      ASN  14  -2.123   7.666  -0.675
  104    H    THR  15           HN       THR  15  -5.902   4.456  -4.421
  105    HA   THR  15           HA       THR  15  -8.482   5.494  -4.398
  106    HB   THR  15           HB       THR  15  -8.140   3.030  -5.973
  107    HG1  THR  15           HG1      THR  15  -6.571   3.991  -7.323
  108   1HG2  THR  15          HG21      THR  15  -8.391   5.123  -7.711
  109   2HG2  THR  15          HG22      THR  15  -9.294   5.672  -6.299
  110   3HG2  THR  15          HG23      THR  15  -9.709   4.143  -7.073
  111    H    CYS  16           HN       CYS  16  -7.248   2.437  -3.270
  112    HA   CYS  16           HA       CYS  16  -9.799   1.232  -2.848
  113   1HB   CYS  16          HB2       CYS  16  -8.337  -0.398  -2.994
  114   2HB   CYS  16          HB1       CYS  16  -6.973   0.534  -2.526
  115    H    ARG  17           HN       ARG  17  -7.272   2.406  -0.641
  116    HA   ARG  17           HA       ARG  17  -8.638   2.157   1.654
  117   1HB   ARG  17          HB2       ARG  17  -6.355   3.642   0.705
  118   2HB   ARG  17          HB1       ARG  17  -7.204   4.520   1.949
  119   1HG   ARG  17          HG2       ARG  17  -6.850   1.719   2.626
  120   2HG   ARG  17          HG1       ARG  17  -5.316   2.523   2.299
  121   1HD   ARG  17          HD2       ARG  17  -6.069   2.600   4.689
  122   2HD   ARG  17          HD1       ARG  17  -5.724   4.168   3.961
  123    HE   ARG  17           HE       ARG  17  -8.476   3.503   3.710
  124   1HH1  ARG  17          HH11      ARG  17  -6.105   4.646   6.002
  125   2HH1  ARG  17          HH12      ARG  17  -7.266   5.488   6.973
  126   1HH2  ARG  17          HH21      ARG  17 -10.003   4.610   4.986
  127   2HH2  ARG  17          HH22      ARG  17  -9.477   5.468   6.397
  128    H    PHE  18           HN       PHE  18  -8.559   5.006  -0.368
  129    HA   PHE  18           HA       PHE  18 -10.555   6.359   1.123
  130   1HB   PHE  18          HB2       PHE  18  -9.233   7.016  -1.445
  131   2HB   PHE  18          HB1       PHE  18 -10.431   8.051  -0.678
  132    HD1  PHE  18           HD1      PHE  18  -7.180   6.373   0.011
  133    HD2  PHE  18           HD2      PHE  18  -9.724   9.712   0.712
  134    HE1  PHE  18           HE1      PHE  18  -5.403   7.444   1.277
  135    HE2  PHE  18           HE2      PHE  18  -7.949  10.792   1.993
  136    HZ   PHE  18           HZ       PHE  18  -5.784   9.653   2.290
  137    H    GLY  19           HN       GLY  19 -10.624   3.928  -1.103
  138   1HA   GLY  19          HA2       GLY  19 -13.184   4.767  -2.222
  139   2HA   GLY  19          HA1       GLY  19 -12.202   3.426  -2.790
  140    H    GLY  20           HN       GLY  20 -11.887   2.622   0.117
  141   1HA   GLY  20          HA2       GLY  20 -13.607   1.866   1.705
  142   2HA   GLY  20          HA1       GLY  20 -14.544   1.357   0.359
  143    H    GLY  21           HN       GLY  21 -11.118   0.940   1.189
  144   1HA   GLY  21          HA2       GLY  21 -11.539  -1.868   1.254
  145   2HA   GLY  21          HA1       GLY  21 -10.309  -1.216   0.230
  146    H    SER  22           HN       SER  22 -10.598  -2.758   2.935
  147    HA   SER  22           HA       SER  22  -9.130  -1.319   4.829
  148   1HB   SER  22          HB2       SER  22 -10.541  -3.510   5.064
  149   2HB   SER  22          HB1       SER  22  -9.027  -4.320   4.659
  150    HG   SER  22           HG       SER  22  -9.782  -3.113   6.983
  151    H    ARG  23           HN       ARG  23  -7.135  -3.478   5.337
  152    HA   ARG  23           HA       ARG  23  -5.100  -2.421   3.587
  153   1HB   ARG  23          HB2       ARG  23  -4.898  -4.124   6.064
  154   2HB   ARG  23          HB1       ARG  23  -3.515  -3.538   5.154
  155   1HG   ARG  23          HG2       ARG  23  -5.475  -2.006   6.809
  156   2HG   ARG  23          HG1       ARG  23  -3.712  -2.049   6.919
  157   1HD   ARG  23          HD2       ARG  23  -4.093  -0.042   5.929
  158   2HD   ARG  23          HD1       ARG  23  -3.801  -1.037   4.533
  159    HE   ARG  23           HE       ARG  23  -6.010  -0.771   3.903
  160   1HH1  ARG  23          HH11      ARG  23  -5.538   0.441   7.114
  161   2HH1  ARG  23          HH12      ARG  23  -7.080   1.234   7.154
  162   1HH2  ARG  23          HH21      ARG  23  -8.029   0.212   3.957
  163   2HH2  ARG  23          HH22      ARG  23  -8.495   1.094   5.365
  164    H    GLN  24           HN       GLN  24  -6.529  -5.519   4.444
  165    HA   GLN  24           HA       GLN  24  -4.798  -7.099   2.869
  166   1HB   GLN  24          HB2       GLN  24  -7.228  -7.494   4.408
  167   2HB   GLN  24          HB1       GLN  24  -7.253  -8.426   2.920
  168   1HG   GLN  24          HG2       GLN  24  -4.805  -9.055   3.722
  169   2HG   GLN  24          HG1       GLN  24  -5.508  -8.693   5.295
  170   1HE2  GLN  24          HE21      GLN  24  -5.008 -11.006   5.606
  171   2HE2  GLN  24          HE22      GLN  24  -6.195 -12.166   5.129
  172    H    VAL  25           HN       VAL  25  -7.998  -5.738   2.252
  173    HA   VAL  25           HA       VAL  25  -8.281  -6.656  -0.275
  174    HB   VAL  25           HB       VAL  25  -9.395  -4.082   0.765
  175   1HG1  VAL  25          HG11      VAL  25  -9.941  -5.694  -1.600
  176   2HG1  VAL  25          HG12      VAL  25  -9.902  -3.943  -1.381
  177   3HG1  VAL  25          HG13      VAL  25 -11.287  -4.873  -0.810
  178   1HG2  VAL  25          HG21      VAL  25 -11.441  -5.550   1.179
  179   2HG2  VAL  25          HG22      VAL  25 -10.077  -5.748   2.279
  180   3HG2  VAL  25          HG23      VAL  25 -10.350  -6.922   0.995
  181    H    CYS  26           HN       CYS  26  -6.871  -3.710   0.953
  182    HA   CYS  26           HA       CYS  26  -6.295  -2.452  -1.419
  183   1HB   CYS  26          HB2       CYS  26  -5.706  -2.043   1.307
  184   2HB   CYS  26          HB1       CYS  26  -4.302  -1.696   0.318
  185    H    ALA  27           HN       ALA  27  -4.520  -4.677   0.580
  186    HA   ALA  27           HA       ALA  27  -2.081  -4.650  -0.722
  187   1HB   ALA  27          HB1       ALA  27  -2.994  -7.176   0.463
  188   2HB   ALA  27          HB2       ALA  27  -2.798  -5.753   1.482
  189   3HB   ALA  27          HB3       ALA  27  -1.432  -6.374   0.551
  190    H    SER  28           HN       SER  28  -5.009  -6.541  -1.212
  191    HA   SER  28           HA       SER  28  -3.817  -8.061  -3.338
  192   1HB   SER  28          HB2       SER  28  -5.655  -8.875  -1.735
  193   2HB   SER  28          HB1       SER  28  -6.762  -7.932  -2.736
  194    HG   SER  28           HG       SER  28  -6.729  -9.987  -3.563
  195    H    LEU  29           HN       LEU  29  -4.984  -4.974  -3.092
  196    HA   LEU  29           HA       LEU  29  -6.016  -4.898  -5.812
  197   1HB   LEU  29          HB2       LEU  29  -6.575  -3.447  -3.389
  198   2HB   LEU  29          HB1       LEU  29  -6.127  -2.329  -4.662
  199    HG   LEU  29           HG       LEU  29  -7.909  -3.934  -5.966
  200   1HD1  LEU  29          HD11      LEU  29  -9.885  -3.953  -4.361
  201   2HD1  LEU  29          HD12      LEU  29  -8.697  -3.789  -3.072
  202   3HD1  LEU  29          HD13      LEU  29  -8.655  -5.192  -4.133
  203   1HD2  LEU  29          HD21      LEU  29  -9.520  -1.950  -5.053
  204   2HD2  LEU  29          HD22      LEU  29  -8.357  -1.770  -6.369
  205   3HD2  LEU  29          HD23      LEU  29  -7.924  -1.274  -4.732
  206    H    SER  30           HN       SER  30  -3.410  -3.809  -3.776
  207    HA   SER  30           HA       SER  30  -2.163  -2.500  -6.107
  208   1HB   SER  30          HB2       SER  30  -1.476  -1.974  -3.217
  209   2HB   SER  30          HB1       SER  30  -1.038  -1.011  -4.630
  210    HG   SER  30           HG       SER  30  -3.533  -1.262  -3.352
  211    H    GLY  31           HN       GLY  31  -2.028  -5.227  -4.170
  212   1HA   GLY  31          HA2       GLY  31  -0.474  -6.871  -3.873
  213   2HA   GLY  31          HA1       GLY  31   0.174  -6.269  -5.359
  214    H    CYS  32           HN       CYS  32  -0.037  -4.154  -2.615
  215    HA   CYS  32           HA       CYS  32   2.811  -3.988  -2.490
  216   1HB   CYS  32          HB2       CYS  32   0.845  -2.481  -0.775
  217   2HB   CYS  32          HB1       CYS  32   2.501  -2.047  -1.159
  218    H    LYS  33           HN       LYS  33   3.773  -3.740  -0.277
  219    HA   LYS  33           HA       LYS  33   3.048  -6.112   1.194
  220   1HB   LYS  33          HB2       LYS  33   5.393  -5.792   0.466
  221   2HB   LYS  33          HB1       LYS  33   5.460  -4.344   1.442
  222   1HG   LYS  33          HG2       LYS  33   4.604  -6.202   3.252
  223   2HG   LYS  33          HG1       LYS  33   5.702  -7.133   2.228
  224   1HD   LYS  33          HD2       LYS  33   6.916  -6.170   4.090
  225   2HD   LYS  33          HD1       LYS  33   7.440  -5.413   2.582
  226   1HE   LYS  33          HE2       LYS  33   7.100  -3.478   3.655
  227   2HE   LYS  33          HE1       LYS  33   5.395  -3.781   3.354
  228   1HZ   LYS  33          HZ1       LYS  33   6.365  -3.330   5.764
  229   2HZ   LYS  33          HZ2       LYS  33   6.547  -5.007   5.735
  230   3HZ   LYS  33          HZ3       LYS  33   5.015  -4.319   5.503
  231    H    ILE  34           HN       ILE  34   1.819  -5.941   2.935
  232    HA   ILE  34           HA       ILE  34   0.974  -3.508   4.034
  233    HB   ILE  34           HB       ILE  34   0.966  -6.175   5.450
  234   1HG1  ILE  34          HG12      ILE  34   0.000  -6.493   3.277
  235   2HG1  ILE  34          HG11      ILE  34  -1.243  -6.430   4.478
  236   1HG2  ILE  34          HG21      ILE  34  -0.116  -3.549   5.992
  237   2HG2  ILE  34          HG22      ILE  34   0.208  -4.881   7.089
  238   3HG2  ILE  34          HG23      ILE  34  -1.239  -4.899   6.141
  239   1HD1  ILE  34          HD11      ILE  34  -0.853  -4.818   2.149
  240   2HD1  ILE  34          HD12      ILE  34  -0.859  -3.799   3.580
  241   3HD1  ILE  34          HD13      ILE  34  -2.225  -4.866   3.259
  242    H    ILE  35           HN       ILE  35   2.076  -2.099   5.218
  243    HA   ILE  35           HA       ILE  35   4.623  -2.501   6.270
  244    HB   ILE  35           HB       ILE  35   2.663  -0.538   7.383
  245   1HG1  ILE  35          HG12      ILE  35   2.477  -0.260   5.027
  246   2HG1  ILE  35          HG11      ILE  35   3.579   0.949   5.592
  247   1HG2  ILE  35          HG21      ILE  35   5.160   0.570   7.092
  248   2HG2  ILE  35          HG22      ILE  35   5.508  -1.012   7.643
  249   3HG2  ILE  35          HG23      ILE  35   4.445   0.000   8.590
  250   1HD1  ILE  35          HD11      ILE  35   5.475  -0.458   4.895
  251   2HD1  ILE  35          HD12      ILE  35   4.444   0.043   3.565
  252   3HD1  ILE  35          HD13      ILE  35   4.302  -1.524   4.181
  253    H    SER  36           HN       SER  36   5.411  -2.856   8.345
  254    HA   SER  36           HA       SER  36   3.463  -3.949  10.262
  255   1HB   SER  36          HB2       SER  36   5.289  -5.471   9.010
  256   2HB   SER  36          HB1       SER  36   6.274  -4.907  10.358
  257    HG   SER  36           HG       SER  36   4.239  -6.717  10.329
  258    H    ALA  37           HN       ALA  37   4.410  -1.246  10.099
  259    HA   ALA  37           HA       ALA  37   4.961  -0.776  12.800
  260   1HB   ALA  37          HB1       ALA  37   7.222  -1.654  11.695
  261   2HB   ALA  37          HB2       ALA  37   7.200  -0.469  12.975
  262   3HB   ALA  37          HB3       ALA  37   7.373   0.000  11.294
  263    H    SER  38           HN       SER  38   6.338   1.610  12.629
  264    HA   SER  38           HA       SER  38   4.313   3.233  11.383
  265   1HB   SER  38          HB2       SER  38   6.639   4.431  12.814
  266   2HB   SER  38          HB1       SER  38   4.955   4.944  12.799
  267    HG   SER  38           HG       SER  38   6.165   2.870  14.265
  268    H    THR  39           HN       THR  39   6.821   1.803  10.097
  269    HA   THR  39           HA       THR  39   7.249   3.902   8.140
  270    HB   THR  39           HB       THR  39   9.607   2.456   9.309
  271    HG1  THR  39           HG1      THR  39   9.593   3.756  10.938
  272   1HG2  THR  39          HG21      THR  39  10.663   4.709   8.510
  273   2HG2  THR  39          HG22      THR  39   9.258   4.745   7.448
  274   3HG2  THR  39          HG23      THR  39  10.384   3.387   7.377
  275    H    CYS  40           HN       CYS  40   8.620   2.989   6.277
  276    HA   CYS  40           HA       CYS  40   7.543   0.389   5.618
  277   1HB   CYS  40          HB2       CYS  40   7.976   2.733   4.155
  278   2HB   CYS  40          HB1       CYS  40   9.146   1.578   3.530
  279    HA   PRO  41           HA       PRO  41  11.469  -1.477   6.493
  280   1HB   PRO  41          HB2       PRO  41  10.918  -3.915   5.518
  281   2HB   PRO  41          HB1       PRO  41  10.233  -3.331   7.032
  282   1HG   PRO  41          HG2       PRO  41   8.988  -3.434   4.313
  283   2HG   PRO  41          HG1       PRO  41   8.285  -3.862   5.881
  284   1HD   PRO  41          HD2       PRO  41   7.811  -1.492   4.645
  285   2HD   PRO  41          HD1       PRO  41   7.826  -1.676   6.410
  286    H    SER  42           HN       SER  42  12.680  -3.375   4.980
  287    HA   SER  42           HA       SER  42  13.687  -1.873   2.774
  288   1HB   SER  42          HB2       SER  42  14.791  -4.445   2.780
  289   2HB   SER  42          HB1       SER  42  15.495  -2.983   3.461
  290    HG   SER  42           HG       SER  42  15.357  -4.592   5.035
  291    H    ASP  43           HN       ASP  43  11.024  -2.487   2.314
  292    HA   ASP  43           HA       ASP  43  11.189  -4.465   0.175
  293   1HB   ASP  43          HB2       ASP  43   9.103  -3.994   2.241
  294   2HB   ASP  43          HB1       ASP  43   8.550  -4.439   0.624
  295    H    TYR  44           HN       TYR  44  11.990  -2.073  -0.489
  296    HA   TYR  44           HA       TYR  44  11.639  -0.273  -1.748
  297   1HB   TYR  44          HB2       TYR  44   9.610  -0.851  -3.474
  298   2HB   TYR  44          HB1       TYR  44  11.288  -1.319  -3.687
  299    HD1  TYR  44           HD1      TYR  44  12.004  -3.620  -2.992
  300    HD2  TYR  44           HD2      TYR  44   7.913  -2.448  -3.115
  301    HE1  TYR  44           HE1      TYR  44  11.329  -5.984  -2.999
  302    HE2  TYR  44           HE2      TYR  44   7.229  -4.814  -3.121
  303    HH   TYR  44           HH       TYR  44   8.252  -7.024  -3.791
  304    HA   PRO  45           HA       PRO  45   8.154   1.466   0.510
  305   1HB   PRO  45          HB2       PRO  45   9.294   3.876   0.914
  306   2HB   PRO  45          HB1       PRO  45   9.710   2.466   1.892
  307   1HG   PRO  45          HG2       PRO  45  11.176   3.656  -0.354
  308   2HG   PRO  45          HG1       PRO  45  11.819   3.067   1.107
  309   1HD   PRO  45          HD2       PRO  45  11.882   1.605  -1.111
  310   2HD   PRO  45          HD1       PRO  45  11.784   0.874   0.415
  311    H    LYS  46           HN       LYS  46   7.591   1.184  -1.970
  312    HA   LYS  46           HA       LYS  46   6.972   3.903  -2.891
  313   1HB   LYS  46          HB2       LYS  46   8.594   2.066  -4.216
  314   2HB   LYS  46          HB1       LYS  46   7.047   1.955  -5.041
  315   1HG   LYS  46          HG2       LYS  46   7.956   3.631  -6.259
  316   2HG   LYS  46          HG1       LYS  46   7.252   4.602  -4.968
  317   1HD   LYS  46          HD2       LYS  46   9.391   5.446  -5.027
  318   2HD   LYS  46          HD1       LYS  46   9.569   4.179  -3.804
  319   1HE   LYS  46          HE2       LYS  46  10.706   2.774  -5.253
  320   2HE   LYS  46          HE1       LYS  46  10.063   3.569  -6.689
  321   1HZ   LYS  46          HZ1       LYS  46  12.517   3.962  -5.882
  322   2HZ   LYS  46          HZ2       LYS  46  11.780   5.133  -4.912
  323   3HZ   LYS  46          HZ3       LYS  46  11.617   5.211  -6.591
  Start of MODEL   20
    1   1H    LYS   1          HT1       LYS   1  -0.169   4.019   5.318
    2   2H    LYS   1          HT2       LYS   1   0.642   5.454   5.661
    3   3H    LYS   1          HT3       LYS   1   1.058   3.977   6.427
    4    HA   LYS   1           HA       LYS   1   1.266   4.624   3.560
    5   1HB   LYS   1          HB2       LYS   1   3.660   4.487   3.974
    6   2HB   LYS   1          HB1       LYS   1   2.934   5.682   5.043
    7   1HG   LYS   1          HG2       LYS   1   3.110   2.982   6.167
    8   2HG   LYS   1          HG1       LYS   1   4.662   3.748   5.832
    9   1HD   LYS   1          HD2       LYS   1   4.338   5.388   7.388
   10   2HD   LYS   1          HD1       LYS   1   2.586   5.366   7.211
   11   1HE   LYS   1          HE2       LYS   1   3.017   2.899   8.219
   12   2HE   LYS   1          HE1       LYS   1   4.328   3.796   8.983
   13   1HZ   LYS   1          HZ1       LYS   1   1.459   4.544   9.076
   14   2HZ   LYS   1          HZ2       LYS   1   2.720   5.365   9.844
   15   3HZ   LYS   1          HZ3       LYS   1   2.317   3.797  10.329
   16    H    SER   2           HN       SER   2   2.853   2.930   2.598
   17    HA   SER   2           HA       SER   2   2.632   0.273   3.640
   18   1HB   SER   2          HB2       SER   2   1.505  -0.472   1.485
   19   2HB   SER   2          HB1       SER   2   0.480   0.240   2.673
   20    HG   SER   2           HG       SER   2   1.498   1.287   0.261
   21    H    CYS   3           HN       CYS   3   3.723  -1.246   2.219
   22    HA   CYS   3           HA       CYS   3   6.005  -0.012   0.927
   23   1HB   CYS   3          HB2       CYS   3   5.577  -2.420   2.416
   24   2HB   CYS   3          HB1       CYS   3   6.433  -2.721   0.907
   25    H    CYS   4           HN       CYS   4   4.989   0.582  -0.939
   26    HA   CYS   4           HA       CYS   4   4.030  -1.482  -2.675
   27   1HB   CYS   4          HB2       CYS   4   3.821   1.429  -2.781
   28   2HB   CYS   4          HB1       CYS   4   3.489   0.453  -4.205
   29    HA   PRO   5           HA       PRO   5   7.800  -1.719  -4.962
   30   1HB   PRO   5          HB2       PRO   5   6.809  -2.369  -7.427
   31   2HB   PRO   5          HB1       PRO   5   6.964  -3.523  -6.098
   32   1HG   PRO   5          HG2       PRO   5   4.556  -2.013  -7.027
   33   2HG   PRO   5          HG1       PRO   5   4.690  -3.707  -6.513
   34   1HD   PRO   5          HD2       PRO   5   3.707  -1.806  -4.886
   35   2HD   PRO   5          HD1       PRO   5   4.676  -3.164  -4.266
   36    H    ASN   6           HN       ASN   6   5.165   0.213  -6.097
   37    HA   ASN   6           HA       ASN   6   7.070   2.196  -7.014
   38   1HB   ASN   6          HB2       ASN   6   5.926   2.438  -9.226
   39   2HB   ASN   6          HB1       ASN   6   6.826   0.933  -9.049
   40   1HD2  ASN   6          HD21      ASN   6   5.492   0.219 -10.791
   41   2HD2  ASN   6          HD22      ASN   6   3.905  -0.339 -10.454
   42    H    THR   7           HN       THR   7   6.197   4.289  -7.171
   43    HA   THR   7           HA       THR   7   4.260   5.002  -5.354
   44    HB   THR   7           HB       THR   7   4.693   6.610  -7.854
   45    HG1  THR   7           HG1      THR   7   6.473   6.468  -5.653
   46   1HG2  THR   7          HG21      THR   7   3.350   7.891  -6.543
   47   2HG2  THR   7          HG22      THR   7   4.935   8.381  -5.939
   48   3HG2  THR   7          HG23      THR   7   3.977   7.209  -5.044
   49    H    THR   8           HN       THR   8   3.836   3.824  -8.570
   50    HA   THR   8           HA       THR   8   1.229   4.773  -9.058
   51    HB   THR   8           HB       THR   8   2.460   2.221 -10.098
   52    HG1  THR   8           HG1      THR   8   2.644   4.847 -11.149
   53   1HG2  THR   8          HG21      THR   8   1.080   2.517 -12.030
   54   2HG2  THR   8          HG22      THR   8   0.458   4.046 -11.408
   55   3HG2  THR   8          HG23      THR   8   0.064   2.533 -10.597
   56    H    GLY   9           HN       GLY   9   2.471   1.794  -7.618
   57   1HA   GLY   9          HA2       GLY   9   0.044   0.445  -7.270
   58   2HA   GLY   9          HA1       GLY   9   1.465   0.234  -6.261
   59    H    ARG  10           HN       ARG  10   1.666   2.806  -5.199
   60    HA   ARG  10           HA       ARG  10  -0.004   2.640  -3.023
   61   1HB   ARG  10          HB2       ARG  10   2.130   4.206  -3.736
   62   2HB   ARG  10          HB1       ARG  10   0.826   5.351  -3.438
   63   1HG   ARG  10          HG2       ARG  10   0.682   3.495  -1.347
   64   2HG   ARG  10          HG1       ARG  10   2.400   3.839  -1.569
   65   1HD   ARG  10          HD2       ARG  10   0.212   5.807  -1.049
   66   2HD   ARG  10          HD1       ARG  10   1.544   5.411  -0.003
   67    HE   ARG  10           HE       ARG  10   2.446   6.370  -2.504
   68   1HH1  ARG  10          HH11      ARG  10   1.025   7.453   0.448
   69   2HH1  ARG  10          HH12      ARG  10   1.691   9.043   0.339
   70   1HH2  ARG  10          HH21      ARG  10   3.330   8.468  -2.654
   71   2HH2  ARG  10          HH22      ARG  10   3.005   9.626  -1.404
   72    H    ASN  11           HN       ASN  11  -0.341   4.046  -6.156
   73    HA   ASN  11           HA       ASN  11  -2.430   5.879  -5.596
   74   1HB   ASN  11          HB2       ASN  11  -0.946   5.293  -7.812
   75   2HB   ASN  11          HB1       ASN  11  -2.486   4.546  -8.232
   76   1HD2  ASN  11          HD21      ASN  11  -0.749   7.465  -7.828
   77   2HD2  ASN  11          HD22      ASN  11  -2.017   8.549  -8.294
   78    H    ILE  12           HN       ILE  12  -2.386   2.532  -6.728
   79    HA   ILE  12           HA       ILE  12  -5.172   2.140  -6.842
   80    HB   ILE  12           HB       ILE  12  -3.066   0.113  -6.183
   81   1HG1  ILE  12          HG12      ILE  12  -4.089   0.379  -8.947
   82   2HG1  ILE  12          HG11      ILE  12  -3.023   1.630  -8.403
   83   1HG2  ILE  12          HG21      ILE  12  -5.410  -0.588  -7.783
   84   2HG2  ILE  12          HG22      ILE  12  -5.768  -0.131  -6.115
   85   3HG2  ILE  12          HG23      ILE  12  -4.631  -1.436  -6.446
   86   1HD1  ILE  12          HD11      ILE  12  -1.610  -0.433  -7.608
   87   2HD1  ILE  12          HD12      ILE  12  -1.431   0.289  -9.186
   88   3HD1  ILE  12          HD13      ILE  12  -2.434  -1.101  -9.013
   89    H    TYR  13           HN       TYR  13  -2.784   1.521  -4.301
   90    HA   TYR  13           HA       TYR  13  -4.390   0.405  -2.344
   91   1HB   TYR  13          HB2       TYR  13  -1.791   1.189  -2.470
   92   2HB   TYR  13          HB1       TYR  13  -2.441   2.423  -1.404
   93    HD1  TYR  13           HD1      TYR  13  -3.969   1.484   0.467
   94    HD2  TYR  13           HD2      TYR  13  -0.984  -0.673  -1.500
   95    HE1  TYR  13           HE1      TYR  13  -3.814  -0.024   2.381
   96    HE2  TYR  13           HE2      TYR  13  -0.816  -2.217   0.322
   97    HH   TYR  13           HH       TYR  13  -1.705  -1.642   3.234
   98    H    ASN  14           HN       ASN  14  -3.820   3.777  -3.150
   99    HA   ASN  14           HA       ASN  14  -5.409   4.852  -1.061
  100   1HB   ASN  14          HB2       ASN  14  -3.827   5.860  -3.236
  101   2HB   ASN  14          HB1       ASN  14  -5.376   6.692  -3.204
  102   1HD2  ASN  14          HD21      ASN  14  -2.345   6.260  -1.691
  103   2HD2  ASN  14          HD22      ASN  14  -2.557   7.428  -0.433
  104    H    THR  15           HN       THR  15  -6.078   4.315  -4.521
  105    HA   THR  15           HA       THR  15  -8.677   5.293  -4.583
  106    HB   THR  15           HB       THR  15  -8.218   2.836  -6.135
  107    HG1  THR  15           HG1      THR  15  -6.553   3.600  -7.309
  108   1HG2  THR  15          HG21      THR  15  -8.514   4.852  -7.919
  109   2HG2  THR  15          HG22      THR  15  -9.402   5.476  -6.526
  110   3HG2  THR  15          HG23      THR  15  -9.839   3.919  -7.229
  111    H    CYS  16           HN       CYS  16  -7.420   2.271  -3.406
  112    HA   CYS  16           HA       CYS  16  -9.977   1.036  -3.046
  113   1HB   CYS  16          HB2       CYS  16  -8.535  -0.605  -3.222
  114   2HB   CYS  16          HB1       CYS  16  -7.163   0.313  -2.757
  115    H    ARG  17           HN       ARG  17  -7.450   2.061  -0.751
  116    HA   ARG  17           HA       ARG  17  -8.902   1.793   1.497
  117   1HB   ARG  17          HB2       ARG  17  -6.523   3.204   0.661
  118   2HB   ARG  17          HB1       ARG  17  -7.366   4.075   1.920
  119   1HG   ARG  17          HG2       ARG  17  -7.154   1.238   2.487
  120   2HG   ARG  17          HG1       ARG  17  -5.584   1.996   2.248
  121   1HD   ARG  17          HD2       ARG  17  -6.457   1.996   4.618
  122   2HD   ARG  17          HD1       ARG  17  -5.960   3.562   3.977
  123    HE   ARG  17           HE       ARG  17  -8.740   3.075   3.588
  124   1HH1  ARG  17          HH11      ARG  17  -6.380   4.087   5.949
  125   2HH1  ARG  17          HH12      ARG  17  -7.517   5.004   6.878
  126   1HH2  ARG  17          HH21      ARG  17 -10.238   4.283   4.805
  127   2HH2  ARG  17          HH22      ARG  17  -9.708   5.118   6.228
  128    H    PHE  18           HN       PHE  18  -8.620   4.706  -0.424
  129    HA   PHE  18           HA       PHE  18 -10.535   6.158   1.031
  130   1HB   PHE  18          HB2       PHE  18  -9.208   6.656  -1.556
  131   2HB   PHE  18          HB1       PHE  18 -10.406   7.752  -0.880
  132    HD1  PHE  18           HD1      PHE  18  -7.415   5.939   0.380
  133    HD2  PHE  18           HD2      PHE  18  -9.505   9.624   0.031
  134    HE1  PHE  18           HE1      PHE  18  -5.660   7.057   1.648
  135    HE2  PHE  18           HE2      PHE  18  -7.750  10.758   1.301
  136    HZ   PHE  18           HZ       PHE  18  -5.822   9.467   2.119
  137    H    GLY  19           HN       GLY  19 -10.698   3.771  -1.302
  138   1HA   GLY  19          HA2       GLY  19 -13.210   4.630  -2.408
  139   2HA   GLY  19          HA1       GLY  19 -12.378   3.124  -2.760
  140    H    GLY  20           HN       GLY  20 -12.126   2.637   0.156
  141   1HA   GLY  20          HA2       GLY  20 -13.811   2.290   1.883
  142   2HA   GLY  20          HA1       GLY  20 -14.923   1.825   0.626
  143    H    GLY  21           HN       GLY  21 -11.521   0.866   0.901
  144   1HA   GLY  21          HA2       GLY  21 -12.457  -1.835   1.017
  145   2HA   GLY  21          HA1       GLY  21 -10.905  -1.321   0.390
  146    H    SER  22           HN       SER  22  -9.706  -2.671   1.663
  147    HA   SER  22           HA       SER  22  -9.472  -1.840   4.455
  148   1HB   SER  22          HB2       SER  22 -10.865  -3.960   4.251
  149   2HB   SER  22          HB1       SER  22  -9.406  -4.751   3.643
  150    HG   SER  22           HG       SER  22  -9.966  -3.762   6.206
  151    H    ARG  23           HN       ARG  23  -7.500  -4.070   4.856
  152    HA   ARG  23           HA       ARG  23  -5.275  -2.754   3.534
  153   1HB   ARG  23          HB2       ARG  23  -5.345  -4.667   5.861
  154   2HB   ARG  23          HB1       ARG  23  -3.878  -3.976   5.191
  155   1HG   ARG  23          HG2       ARG  23  -6.092  -2.596   6.664
  156   2HG   ARG  23          HG1       ARG  23  -4.383  -2.707   7.088
  157   1HD   ARG  23          HD2       ARG  23  -4.563  -0.567   6.260
  158   2HD   ARG  23          HD1       ARG  23  -3.992  -1.462   4.859
  159    HE   ARG  23           HE       ARG  23  -5.959  -0.993   3.801
  160   1HH1  ARG  23          HH11      ARG  23  -6.362  -0.433   7.220
  161   2HH1  ARG  23          HH12      ARG  23  -7.934   0.191   7.043
  162   1HH2  ARG  23          HH21      ARG  23  -8.035  -0.104   3.571
  163   2HH2  ARG  23          HH22      ARG  23  -8.894   0.380   4.975
  164    H    GLN  24           HN       GLN  24  -6.566  -5.999   4.107
  165    HA   GLN  24           HA       GLN  24  -4.652  -7.330   2.504
  166   1HB   GLN  24          HB2       GLN  24  -7.076  -8.022   3.945
  167   2HB   GLN  24          HB1       GLN  24  -6.978  -8.873   2.407
  168   1HG   GLN  24          HG2       GLN  24  -4.501  -9.317   3.257
  169   2HG   GLN  24          HG1       GLN  24  -5.284  -9.107   4.818
  170   1HE2  GLN  24          HE21      GLN  24  -4.567 -11.386   5.003
  171   2HE2  GLN  24          HE22      GLN  24  -5.639 -12.617   4.435
  172    H    VAL  25           HN       VAL  25  -7.903  -6.112   1.860
  173    HA   VAL  25           HA       VAL  25  -8.074  -6.963  -0.707
  174    HB   VAL  25           HB       VAL  25  -9.367  -4.479   0.335
  175   1HG1  VAL  25          HG11      VAL  25  -9.921  -6.260  -1.933
  176   2HG1  VAL  25          HG12      VAL  25  -9.735  -4.502  -1.886
  177   3HG1  VAL  25          HG13      VAL  25 -11.183  -5.255  -1.222
  178   1HG2  VAL  25          HG21      VAL  25 -11.305  -6.286   0.575
  179   2HG2  VAL  25          HG22      VAL  25 -10.151  -5.962   1.872
  180   3HG2  VAL  25          HG23      VAL  25  -9.920  -7.352   0.815
  181    H    CYS  26           HN       CYS  26  -6.882  -3.984   0.664
  182    HA   CYS  26           HA       CYS  26  -6.307  -2.627  -1.662
  183   1HB   CYS  26          HB2       CYS  26  -5.871  -2.237   1.092
  184   2HB   CYS  26          HB1       CYS  26  -4.437  -1.792   0.190
  185    H    ALA  27           HN       ALA  27  -4.467  -4.766   0.370
  186    HA   ALA  27           HA       ALA  27  -1.984  -4.558  -0.858
  187   1HB   ALA  27          HB1       ALA  27  -2.159  -7.172   0.080
  188   2HB   ALA  27          HB2       ALA  27  -3.130  -6.161   1.149
  189   3HB   ALA  27          HB3       ALA  27  -1.445  -5.758   0.855
  190    H    SER  28           HN       SER  28  -4.804  -6.542  -1.489
  191    HA   SER  28           HA       SER  28  -3.463  -8.057  -3.532
  192   1HB   SER  28          HB2       SER  28  -5.280  -9.051  -2.154
  193   2HB   SER  28          HB1       SER  28  -6.418  -7.924  -2.884
  194    HG   SER  28           HG       SER  28  -6.541  -9.806  -4.045
  195    H    LEU  29           HN       LEU  29  -4.804  -5.002  -3.338
  196    HA   LEU  29           HA       LEU  29  -5.706  -4.915  -6.083
  197   1HB   LEU  29          HB2       LEU  29  -6.184  -3.382  -3.697
  198   2HB   LEU  29          HB1       LEU  29  -5.690  -2.322  -5.003
  199    HG   LEU  29           HG       LEU  29  -8.087  -2.435  -4.990
  200   1HD1  LEU  29          HD11      LEU  29  -6.670  -2.694  -7.184
  201   2HD1  LEU  29          HD12      LEU  29  -8.432  -2.802  -7.218
  202   3HD1  LEU  29          HD13      LEU  29  -7.452  -4.272  -7.239
  203   1HD2  LEU  29          HD21      LEU  29  -8.525  -4.435  -3.794
  204   2HD2  LEU  29          HD22      LEU  29  -7.671  -5.416  -4.982
  205   3HD2  LEU  29          HD23      LEU  29  -9.203  -4.666  -5.409
  206    H    SER  30           HN       SER  30  -3.042  -3.853  -4.067
  207    HA   SER  30           HA       SER  30  -1.753  -2.731  -6.470
  208   1HB   SER  30          HB2       SER  30  -0.381  -1.376  -4.866
  209   2HB   SER  30          HB1       SER  30  -2.095  -0.986  -4.865
  210    HG   SER  30           HG       SER  30  -1.016  -2.844  -3.041
  211    H    GLY  31           HN       GLY  31  -1.636  -5.213  -4.152
  212   1HA   GLY  31          HA2       GLY  31  -0.188  -6.948  -3.881
  213   2HA   GLY  31          HA1       GLY  31   0.587  -6.380  -5.315
  214    H    CYS  32           HN       CYS  32   0.143  -4.268  -2.584
  215    HA   CYS  32           HA       CYS  32   3.030  -4.168  -2.221
  216   1HB   CYS  32          HB2       CYS  32   0.979  -2.463  -0.833
  217   2HB   CYS  32          HB1       CYS  32   2.684  -2.116  -1.091
  218    H    LYS  33           HN       LYS  33   3.758  -3.793   0.000
  219    HA   LYS  33           HA       LYS  33   2.760  -6.016   1.614
  220   1HB   LYS  33          HB2       LYS  33   5.320  -5.079   1.037
  221   2HB   LYS  33          HB1       LYS  33   5.047  -4.595   2.706
  222   1HG   LYS  33          HG2       LYS  33   6.103  -6.740   2.685
  223   2HG   LYS  33          HG1       LYS  33   4.444  -6.940   3.241
  224   1HD   LYS  33          HD2       LYS  33   4.750  -8.694   1.731
  225   2HD   LYS  33          HD1       LYS  33   3.882  -7.471   0.800
  226   1HE   LYS  33          HE2       LYS  33   5.951  -6.732  -0.189
  227   2HE   LYS  33          HE1       LYS  33   6.870  -7.863   0.766
  228   1HZ   LYS  33          HZ1       LYS  33   6.206  -9.636  -0.418
  229   2HZ   LYS  33          HZ2       LYS  33   6.166  -8.457  -1.588
  230   3HZ   LYS  33          HZ3       LYS  33   4.729  -8.943  -0.840
  231    H    ILE  34           HN       ILE  34   1.712  -5.771   3.496
  232    HA   ILE  34           HA       ILE  34   0.721  -3.204   4.225
  233    HB   ILE  34           HB       ILE  34   0.555  -5.732   5.865
  234   1HG1  ILE  34          HG12      ILE  34  -0.164  -6.234   3.627
  235   2HG1  ILE  34          HG11      ILE  34  -1.538  -6.102   4.720
  236   1HG2  ILE  34          HG21      ILE  34  -0.656  -3.069   5.948
  237   2HG2  ILE  34          HG22      ILE  34  -0.218  -4.162   7.262
  238   3HG2  ILE  34          HG23      ILE  34  -1.669  -4.474   6.310
  239   1HD1  ILE  34          HD11      ILE  34  -0.597  -4.023   2.755
  240   2HD1  ILE  34          HD12      ILE  34  -1.926  -3.810   3.899
  241   3HD1  ILE  34          HD13      ILE  34  -2.041  -5.025   2.623
  242    H    ILE  35           HN       ILE  35   1.785  -1.722   5.346
  243    HA   ILE  35           HA       ILE  35   4.196  -2.229   6.737
  244    HB   ILE  35           HB       ILE  35   3.673  -0.098   5.735
  245   1HG1  ILE  35          HG12      ILE  35   3.908   0.682   8.545
  246   2HG1  ILE  35          HG11      ILE  35   5.002  -0.572   8.082
  247   1HG2  ILE  35          HG21      ILE  35   2.140   1.404   6.930
  248   2HG2  ILE  35          HG22      ILE  35   1.627   0.058   7.940
  249   3HG2  ILE  35          HG23      ILE  35   1.319   0.030   6.204
  250   1HD1  ILE  35          HD11      ILE  35   5.702   1.890   7.845
  251   2HD1  ILE  35          HD12      ILE  35   4.812   1.771   6.331
  252   3HD1  ILE  35          HD13      ILE  35   6.176   0.701   6.644
  253    H    SER  36           HN       SER  36   4.635  -2.294   8.941
  254    HA   SER  36           HA       SER  36   2.305  -2.540  10.724
  255   1HB   SER  36          HB2       SER  36   4.795  -4.250  10.881
  256   2HB   SER  36          HB1       SER  36   3.341  -4.403  11.865
  257    HG   SER  36           HG       SER  36   2.705  -5.726  10.367
  258    H    ALA  37           HN       ALA  37   4.081  -0.314  10.222
  259    HA   ALA  37           HA       ALA  37   4.494   0.497  12.867
  260   1HB   ALA  37          HB1       ALA  37   7.168   0.202  11.631
  261   2HB   ALA  37          HB2       ALA  37   6.429  -1.181  12.336
  262   3HB   ALA  37          HB3       ALA  37   6.705   0.195  13.329
  263    H    SER  38           HN       SER  38   6.519   2.344  12.591
  264    HA   SER  38           HA       SER  38   5.306   4.189  10.733
  265   1HB   SER  38          HB2       SER  38   7.617   4.842  12.539
  266   2HB   SER  38          HB1       SER  38   6.358   5.921  11.926
  267    HG   SER  38           HG       SER  38   6.248   4.046  14.008
  268    H    THR  39           HN       THR  39   7.386   1.887  10.191
  269    HA   THR  39           HA       THR  39   8.788   3.385   8.128
  270    HB   THR  39           HB       THR  39  10.283   1.444   9.867
  271    HG1  THR  39           HG1      THR  39  10.587   2.923  11.307
  272   1HG2  THR  39          HG21      THR  39  11.617   1.763   8.041
  273   2HG2  THR  39          HG22      THR  39  12.172   3.080   9.076
  274   3HG2  THR  39          HG23      THR  39  11.039   3.406   7.767
  275    H    CYS  40           HN       CYS  40  10.004   1.778   6.670
  276    HA   CYS  40           HA       CYS  40   8.584  -0.712   6.515
  277   1HB   CYS  40          HB2       CYS  40   8.125   1.349   4.791
  278   2HB   CYS  40          HB1       CYS  40   9.247   0.334   3.896
  279    HA   PRO  41           HA       PRO  41  12.670  -2.348   6.098
  280   1HB   PRO  41          HB2       PRO  41  12.047  -4.760   5.010
  281   2HB   PRO  41          HB1       PRO  41  11.777  -4.375   6.713
  282   1HG   PRO  41          HG2       PRO  41   9.839  -4.354   4.428
  283   2HG   PRO  41          HG1       PRO  41   9.622  -4.980   6.076
  284   1HD   PRO  41          HD2       PRO  41   8.658  -2.580   5.296
  285   2HD   PRO  41          HD1       PRO  41   9.226  -2.879   6.952
  286    H    SER  42           HN       SER  42  13.570  -4.056   4.142
  287    HA   SER  42           HA       SER  42  13.891  -2.252   1.916
  288   1HB   SER  42          HB2       SER  42  15.633  -3.896   3.081
  289   2HB   SER  42          HB1       SER  42  15.026  -5.011   1.854
  290    HG   SER  42           HG       SER  42  16.672  -2.846   1.591
  291    H    ASP  43           HN       ASP  43  11.276  -3.057   2.063
  292    HA   ASP  43           HA       ASP  43  10.974  -4.977  -0.080
  293   1HB   ASP  43          HB2       ASP  43   9.818  -5.207   2.273
  294   2HB   ASP  43          HB1       ASP  43   8.636  -4.133   1.527
  295    H    TYR  44           HN       TYR  44  11.768  -2.526  -0.798
  296    HA   TYR  44           HA       TYR  44  11.261  -0.679  -2.008
  297   1HB   TYR  44          HB2       TYR  44   9.243  -1.154  -3.646
  298   2HB   TYR  44          HB1       TYR  44  10.800  -1.946  -3.855
  299    HD1  TYR  44           HD1      TYR  44  11.091  -4.309  -3.208
  300    HD2  TYR  44           HD2      TYR  44   7.289  -2.404  -3.037
  301    HE1  TYR  44           HE1      TYR  44   9.998  -6.512  -3.087
  302    HE2  TYR  44           HE2      TYR  44   6.185  -4.601  -2.918
  303    HH   TYR  44           HH       TYR  44   7.307  -7.271  -3.814
  304    HA   PRO  45           HA       PRO  45   7.848   0.793   0.555
  305   1HB   PRO  45          HB2       PRO  45   9.129   2.923   1.555
  306   2HB   PRO  45          HB1       PRO  45   9.421   1.299   2.184
  307   1HG   PRO  45          HG2       PRO  45  11.060   2.903   0.270
  308   2HG   PRO  45          HG1       PRO  45  11.592   1.899   1.625
  309   1HD   PRO  45          HD2       PRO  45  11.607   1.087  -0.919
  310   2HD   PRO  45          HD1       PRO  45  11.527   0.000   0.376
  311    H    LYS  46           HN       LYS  46   7.610   1.101  -2.034
  312    HA   LYS  46           HA       LYS  46   7.593   3.966  -2.585
  313   1HB   LYS  46          HB2       LYS  46   8.203   1.758  -4.157
  314   2HB   LYS  46          HB1       LYS  46   6.620   2.272  -4.733
  315   1HG   LYS  46          HG2       LYS  46   7.401   4.227  -5.577
  316   2HG   LYS  46          HG1       LYS  46   8.669   4.372  -4.356
  317   1HD   LYS  46          HD2       LYS  46   8.953   2.097  -6.200
  318   2HD   LYS  46          HD1       LYS  46   9.107   3.693  -6.944
  319   1HE   LYS  46          HE2       LYS  46  10.869   4.291  -5.429
  320   2HE   LYS  46          HE1       LYS  46  10.631   2.813  -4.494
  321   1HZ   LYS  46          HZ1       LYS  46  11.167   1.648  -6.706
  322   2HZ   LYS  46          HZ2       LYS  46  12.441   2.324  -5.820
  323   3HZ   LYS  46          HZ3       LYS  46  11.822   3.138  -7.173